smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 1851632 CSMSAVLGNSFLFN-UHFFFAOYSA-N 396.443 1.884 0 50 GDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCc1cnccn1 67513993 LOIWFLWNSOPZQU-IBGZPJMESA-N 376.407 1.441 0 50 GDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)s1)CC2 20910949 NVYPGOLTQYKQNJ-AWEZNQCLSA-N 377.514 1.920 0 50 GDAA CCN1CCN(CC(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 20598477 HFHHADHRYLKMMF-INIZCTEOSA-N 399.461 1.823 0 50 GDAA O=C1[C@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCCN1Cc1ccc(F)cc1F 329180661 NXFZLLBQCLEJBC-IAOVAPTHSA-N 384.448 1.575 0 50 GDAA O=C1CCCCCN1CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65417251 BKPXBEHSQNVRJY-DLBZAZTESA-N 388.464 1.885 0 50 GDAA CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1C(N)=O 2782195 NYZZTGOZRZOMDK-UHFFFAOYSA-N 378.742 1.818 0 50 GDAA CN(C)[C@@H](C(=O)N1CCc2c(ncnc2N2CCOCC2)C1)c1cccc(F)c1 77472387 FQVNXWPTOAQWLU-LJQANCHMSA-N 399.470 1.640 0 50 GDAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)[C@@H](N)CCO 77322253 NXYVBXRCNMCODO-LNLFQRSKSA-N 395.459 1.388 0 50 GDAA O=C(c1ccccc1)c1ccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)cc1 363869942 SGKYNYFSLFXTFH-IBGZPJMESA-N 380.444 1.839 0 50 GDAA COc1cccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1OCCN1CCOCC1 215039109 SQSKLIQDDKHLBQ-KDURUIRLSA-N 375.513 1.400 0 50 GDAA O=C(CN1CCO[C@]2(CCOC2)C1)N1c2ccccc2NC(=O)C12CCCC2 375109072 BCDWGENGAVMLNG-HXUWFJFHSA-N 385.464 1.776 0 50 GDAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)CNS(=O)(=O)c3cccnc3)C2)c1 378128328 OFYLAQRYFWVGFJ-SFHVURJKSA-N 395.431 1.905 0 50 GDAA COc1ccc(-c2noc(CCC(=O)N3CCOC[C@@H]3c3noc(C)n3)n2)cc1 378611516 UGUXGDJXOMKTAR-OAHLLOKOSA-N 399.407 1.969 0 50 GDAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cn[nH]c2-n2cnnn2)cc1 216550242 BYTVKLAPTRKYCY-QGZVFWFLSA-N 380.456 1.814 0 50 GDAA CCCCOC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 82119948 OTFKNMFPXYEMKG-KRWDZBQOSA-N 381.517 1.958 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(c2ncon2)CC1 426380479 NOXOVGJYZKJAPA-QGZVFWFLSA-N 383.452 1.166 0 50 GDAA COCCn1cnnc1[C@@H](C)NC(=O)N1CCN(Cc2cccc(O)c2)CC1 426397609 PUSIYGZHYBFGRC-OAHLLOKOSA-N 388.472 1.219 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 19841582 WAAWIAJIJFNALK-MEQKGCOVSA-N 381.480 1.315 0 50 GDAA O=C(NCc1cnn(-c2ccc(F)cc2)c1)c1cc2ncc(CCO)cn2n1 426465473 PFIOULXWSOBOPK-UHFFFAOYSA-N 380.383 1.519 0 50 GDAA COc1ncccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95529638 NYBPPNGMGKTCSP-UHFFFAOYSA-N 395.463 1.740 0 50 GDAA CSc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cc1 95391001 CMRBJJKIKBSKPO-DZGCQCFKSA-N 383.539 1.751 0 50 GDAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)c1 95503427 PGNGLXBVMRNAHQ-OAHLLOKOSA-N 398.463 1.727 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)C3=NNC(=O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95382535 OFGSSYCXFFCARR-PWIZWCRZSA-N 382.464 1.350 0 50 GDAA C[C@H](c1nc(Cn2cncn2)nn1-c1ccc2c(c1)OCCO2)n1ccnc1 96153306 RXSPVMHAFKFWJP-CYBMUJFWSA-N 378.396 1.484 0 50 GDAA CN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)CCC1=O 95516889 XFBBCTCACPBZPT-KRWDZBQOSA-N 381.480 1.901 0 50 GDAA O=C(CN1CCC[C@H](O)C1)N1CCC(c2nccn2Cc2ccccn2)CC1 95498629 OZGPDRUYRKJKFE-IBGZPJMESA-N 383.496 1.489 0 50 GDAA CCCC(=O)Nc1cccc(NC(=O)N2CCNC(=O)[C@@H]2Cc2c[nH]cn2)c1 95499622 BIWIVVHVEMPRJT-INIZCTEOSA-N 384.440 1.723 0 50 GDAA COCCc1noc([C@@H](C)NC(=O)Nc2cc(S(N)(=O)=O)ccc2C)n1 96141089 FVLXNLOSLJDCEN-SNVBAGLBSA-N 383.430 1.097 0 50 GDAA NC(=O)c1noc(CN2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 91380958 ZSPSWSHUFBXBIU-UHFFFAOYSA-N 398.467 1.011 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cc(C)cn1)CC2 95522325 XYPSQERXYHBXPY-HNNXBMFYSA-N 384.484 1.788 0 50 GDAA CSc1ccc(CC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95368619 MRASVWONFJSLLS-OAHLLOKOSA-N 376.478 1.875 0 50 GDAA COCCn1nnnc1[C@@H]1CN(Cc2noc(-c3ccc(C)cc3)n2)CCO1 244842368 UPKUQNGTDQUYAW-HNNXBMFYSA-N 385.428 1.251 0 50 GDAA CN1C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)C(=O)C12CCCCC2 299744138 RDVWJJQHOFSUSJ-OAHLLOKOSA-N 387.436 1.395 0 50 GDAA CC(C)c1ccc(N2CC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2=O)cc1 299751467 QOOPJXMQYKIAAV-QGZVFWFLSA-N 375.469 1.638 0 50 GDAA C[C@H](NC(=O)N1CCN(CCO)CC1)c1nc(-c2ccc(Cl)cc2)no1 534658758 SPBNIHLURVRJBU-LBPRGKRZSA-N 379.848 1.771 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCN(C(=O)c2ccco2)CC1 363192895 PYZZFEMZNVDIFZ-UHFFFAOYSA-N 396.451 1.641 0 50 GDAA Cn1cccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299784484 IQXMBZYXFIFAKI-GOSISDBHSA-N 388.512 1.104 0 50 GDAA C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H](N)[C@H](c2ccnn2C)C1 1875287416 JTESQMHNMVTVRQ-KCPJHIHWSA-N 375.860 1.145 0 50 GDAA COc1ccccc1C(=O)N1[C@H](C(=O)NS(C)(=O)=O)C[C@H]2CCCC[C@@H]21 1875390771 JAHDQONZZNHDCO-SNPRPXQTSA-N 380.466 1.544 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(N4CCNCC4)nc3)cn2)C[C@H](C)O1 1875302060 YOHHTTICISRNAY-HOTGVXAUSA-N 396.495 1.752 0 50 GDAA Cc1c([C@@H](C)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)cnc2ccnn12 1875399848 KOUCIASYAKBKQP-FVQBIDKESA-N 396.499 1.184 0 50 GDAA O=S(=O)(N=c1nc(Br)[nH]s1)c1ccc(C(F)(F)F)nc1 1875358109 JWYVGALICRTXGR-UHFFFAOYSA-N 389.178 1.937 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@H](c2ccccc2)c2ncc[nH]2)ncn1 1875400430 ZNDAFJXAHRXUMG-MBOZVWFJSA-N 393.495 1.585 0 50 GDAA Cn1cc(S(=O)(=O)N2C[C@@H](Cn3cnnc3)C3(CCC3)C2)c(C(C)(C)C)n1 1875404605 ONFBVPCLUXSEKS-CQSZACIVSA-N 392.529 1.800 0 50 GDAA NC(=O)NCC(=O)N1CCC[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 952973708 AEWZVELFSDISKU-XXWNAHEMSA-N 376.501 1.226 0 50 GDAA CCc1cc(CNC(=O)N2CCC3(CC2)CN(C(C)=O)[C@@H]2COC[C@@H]23)n[nH]1 1775960927 CFBQZOYKSZAMIX-DLBZAZTESA-N 375.473 1.141 0 50 GDAA Cc1ccn(C[C@](C)(O)C(=O)N2CCCN(c3nccs3)CC2)c(=O)c1 280089694 JCBKWFYMXAYBET-SFHVURJKSA-N 376.482 1.103 0 50 GDAA O=C(CN1CCC(C(=O)N2CCc3ccccc32)CC1)NCc1cccnc1 111207039 QINQGZXSCCHMPA-UHFFFAOYSA-N 378.476 1.999 0 50 GDAA Cn1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1=O 188975223 UQLHVGOJHWROTQ-MRXNPFEDSA-N 375.375 1.585 0 50 GDAA O=S(=O)(N1CCCCC1)N1CCCN(c2nc(-c3ccccc3)no2)CC1 1529101990 SSWLJEQPWWALDH-UHFFFAOYSA-N 391.497 1.979 0 50 GDAA COc1ccc(-c2noc(CCCC(=O)N(CCO)Cc3cncn3C)n2)cc1 1704336422 HPWJZLUBNIJQMX-UHFFFAOYSA-N 399.451 1.823 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(F)c1 12036976 KWGVOYZMHKJOLG-UXHICEINSA-N 394.454 1.987 0 50 GDAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(C2CCOCC2)CC3)cc1 12079816 DMZMAHUOYVXJJO-UHFFFAOYSA-N 383.496 1.596 0 50 GDAA C[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O 14536651 PHRPWEKBWSLJPY-WMLDXEAASA-N 376.526 1.265 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)CC1 15075812 QLJZRKIARSDOOW-UHFFFAOYSA-N 398.442 1.819 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C 15935047 ANSWCJCOUKGXFN-MRXNPFEDSA-N 396.509 1.653 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(O)c(OC)c1)NN2Cc1ccccc1 19169173 DUIDWOYQQPTERY-QYZOEREBSA-N 381.432 1.836 0 50 GDAA CCCN1CCC(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CCOC)C3)C2)CC1 1857684415 MZBHHNUJBWDPNS-TZIWHRDSSA-N 381.561 1.573 0 50 GDAA O=C(O)CN1CC[C@]2(C1)CN(C(=O)c1csc(-c3ccccc3)n1)CCO2 1857703317 YWZRHALVJQGFDE-IBGZPJMESA-N 387.461 1.812 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)N(C)CCc3noc(C)n3)CC2=O)s1 1857732104 BWEGPYFBIOUPLK-LLVKDONJSA-N 378.458 1.236 0 50 GDAA O=C(CCc1cc(Cl)no1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCC2CC2)C1 1875244249 OMYGBEYBJUODIZ-LIRRHRJNSA-N 394.903 1.900 0 50 GDAA CCc1cc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)ccc1OC 1704339694 WXFUMALJORRXKL-ZWKOTPCHSA-N 399.509 1.313 0 50 GDAA CN(C)c1ncnc2c1cc(C(=O)N1CCc3cc(C(=O)O)ccc3C1)n2C 910503794 SZQKGVQAQRBKAQ-UHFFFAOYSA-N 379.420 1.931 0 50 GDAA COC(=O)c1nnn(-c2nonc2N)c1CN1CCC(Cc2ccccc2)CC1 1069926 GOGNLQQEFBDWLZ-UHFFFAOYSA-N 397.439 1.474 0 50 GDAA O=C1CN(C(=O)CSc2nnnn2Cc2ccccc2)c2ccccc2N1 4727424 XCDBNRUDOGMKGY-UHFFFAOYSA-N 380.433 1.799 0 50 GDAA CCC(=O)NCc1ccnc(CNC(=O)CCc2nc(-c3ccncc3)no2)c1 2100482990 KQRJPIMDQONNSK-UHFFFAOYSA-N 394.435 1.802 0 50 GDAA NC[C@]1(CNC(=O)C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)CC12CCC2 2325778332 SJFKZNNTVSRUGA-QKKBWIMNSA-N 389.471 1.873 0 50 GDAA CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2[C@H]2CCCNC2)n(C)c1 2325778597 FSBWVVKBKADJDJ-NUEKZKHPSA-N 382.530 1.174 0 50 GDAA CC(C)NC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C[C@@H]21 2325794079 PUPIGFSRBUJEQQ-TVFCKZIOSA-N 392.544 1.081 0 50 GDAA O=C(NCCc1n[nH]c(CCN2C(=O)c3ccccc3C2=O)n1)c1ccccc1 754415 ZICFYWSDAHGKMA-UHFFFAOYSA-N 389.415 1.616 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@H](c2nnnn2C)C1 2356140206 YMZJPLZQHVJBFM-KRWDZBQOSA-N 381.440 1.155 0 50 GDAA O=C(c1c[nH]c2ccc(F)cc2c1=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356157017 APUYDZBPTKANFZ-RXVVDRJESA-N 382.391 1.762 0 50 GDAA O=C(Cn1nc([C@H]2CCCNC2)n(-c2ccccc2)c1=O)NCc1ccco1 67726496 BCOHQEKZVJHSDX-HNNXBMFYSA-N 381.436 1.410 0 50 GDAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(N2CCCCC2)CC1 67713852 OZHNZUMGOJSTFT-UHFFFAOYSA-N 376.501 1.722 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1O)N1CCN(Cc2ccccn2)CC1 119919398 ORYXQEFUCHGMJQ-IBGZPJMESA-N 394.475 1.736 0 50 GDAA Cc1cnc(CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)cn1 71765187 VUJHJIPFKMKSCS-UHFFFAOYSA-N 375.436 1.599 0 50 GDAA CSc1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cn1 36385692 DOVVRBPRUXRHKF-LJQANCHMSA-N 393.601 1.940 0 50 GDAA CCS[C@@H](C)C(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 71748415 JZOUGUNAPBVBFD-NSHDSACASA-N 386.477 1.562 0 50 GDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 219394917 IRMXRJPJKFNSOC-KRWDZBQOSA-N 386.452 1.182 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CCC(C)(C)O)CO2 71754463 PGECVPGYRVLEBH-OAHLLOKOSA-N 377.485 1.595 0 50 GDAA Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)nc2nc(O)[nH]c(=O)c12 155351574 DWMUVUPJWUTRLC-GFCCVEGCSA-N 397.410 1.728 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@H]2CCO)o1 72426072 VGTSCZONECNXHM-CQSZACIVSA-N 379.844 1.639 0 50 GDAA CN1C(=O)C2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c2ccccc21 72169380 IKVTYUIFHXGSCS-UHFFFAOYSA-N 399.472 1.484 0 50 GDAA Cn1cc([C@@H](NC(=O)c2cnc(CN3CCCC3)s2)[C@H]2C[C@@H](O)C2)cn1 223316181 AGRSKAQZWYOXSB-JDFRZJQESA-N 375.498 1.714 0 50 GDAA Cc1ccccc1C(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426420412 RXLXBDJZUWHOPT-LJQANCHMSA-N 385.508 1.969 0 50 GDAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCCO[C@H](Cn2cccn2)C1 221404557 PUXOZDAHXFGJIQ-INIZCTEOSA-N 378.432 1.685 0 50 GDAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 20614645 AHEKHICLXUXFLQ-UHFFFAOYSA-N 380.807 1.869 0 50 GDAA CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1cn2cccnc2n1 91872253 UDGMEAJSSYVADE-ZDUSSCGKSA-N 377.401 1.397 0 50 GDAA CC(=O)N[C@H](C)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91625499 KCARYPROOGXJMM-CYBMUJFWSA-N 393.434 1.831 0 50 GDAA CCC[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)C[C@H]1NS(C)(=O)=O 95524616 LSNWBAKIEWUJLD-TZMCWYRMSA-N 399.542 1.709 0 50 GDAA CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ncc(F)cc2F)CC3)C1 95519861 SBONMMRCSFBLHQ-HNNXBMFYSA-N 392.450 1.909 0 50 GDAA CNc1nccnc1-c1cccc(C(=O)NCCn2c(C)cc(C)nc2=O)c1 534640823 BPNUEYMTQUFGRN-UHFFFAOYSA-N 378.436 1.789 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN(C)CCO1 299421484 CTSGZKAXMCESIF-DOTOQJQBSA-N 375.469 1.137 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 299752392 TZJCJJFGLILFCW-MJBXVCDLSA-N 377.441 1.485 0 50 GDAA CN1CCCN(CC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)CC1 952979306 ZUWOQEJYEALVCS-FQEVSTJZSA-N 375.513 1.711 0 50 GDAA Cc1nccn1CC(=O)NCC1CCN(CC(=O)N(C)c2ccccc2)CC1 952976820 PBKLTOZZUGQGSU-UHFFFAOYSA-N 383.496 1.683 0 50 GDAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O 952978280 DTYGVSSZVSPCAY-LBPRGKRZSA-N 394.391 1.992 0 50 GDAA CCCc1cnc(C)nc1N1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 952967705 NGICZZBFRFYYKG-GOSISDBHSA-N 388.512 1.972 0 50 GDAA COc1ccc(C(=O)N2CCCN(C(=O)c3n[nH]c(C)c3Cl)CC2)cn1 1529168856 OIPGNMAFNKIVMK-UHFFFAOYSA-N 377.832 1.763 0 50 GDAA Cc1nc[nH]c1CC(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@]2(CO)C1 1772814123 LAIOVOJFRQJTFO-QVKFZJNVSA-N 392.463 1.161 0 50 GDAA COc1ccccc1CN1C(=O)O[C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]21 11879608 BCSXSMIIXURQIT-GOEBONIOSA-N 381.454 1.041 0 50 GDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)CC3CCCCC3)C2)nn1 12244856 HTIRTJRAILNQIS-INIZCTEOSA-N 377.489 1.788 0 50 GDAA COCCN1C[C@@H](C(=O)NCCc2nccc(-c3ccccc3)n2)CCC1=O 12439122 LQJAYSMKRRQMOW-KRWDZBQOSA-N 382.464 1.687 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N1CCC(OCc2ccccc2)CC1 12705305 ASAOXRMMRLWAPW-UHFFFAOYSA-N 384.484 1.477 0 50 GDAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)C2=NNC(=O)CC2)C1 14981432 VJAKXYXFYCRNDY-INIZCTEOSA-N 386.496 1.674 0 50 GDAA COc1ccc(C(=O)NCc2nnc(SCCN(C)C)n2C)c(OC)c1 15066919 UCAUWNAXQKFCPT-UHFFFAOYSA-N 379.486 1.416 0 50 GDAA O=C(CN1CCc2ccccc2C1)N1CCO[C@]2(CCN(c3ccncc3)C2)C1 1857671023 LNMCDKIXKIQAML-QHCPKHFHSA-N 392.503 1.948 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)s1 1857712274 UQIQPXLGTVIJKD-CYBMUJFWSA-N 389.456 1.687 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)Cc3c[nH]c4ccccc34)C[C@H]2CO1 1857723435 FWFGKJJIDOZNKY-IKGGRYGDSA-N 384.480 1.147 0 50 GDAA CN1C(=O)CCO[C@H]2CN(Cc3nc(N)c4c5c(sc4n3)CCCC5)C[C@@H]21 1857729067 TZIMRQORVUPDCO-STQMWFEESA-N 387.509 1.584 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCc3cncn3CCOC)CC2=O)s1 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CCNC(=O)COc1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 298993317 RWUNXAWNDHRWNN-AZUAARDMSA-N 383.448 1.659 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1cc(-c2ccccc2)n[nH]1 299775050 KRCYGSNOPUNESW-CRAIPNDOSA-N 383.477 1.898 0 50 GDAA O=C1CO[C@H](CNc2ncc(Cl)cn2)CN1CC1CCN(CC2CC2)CC1 299783006 GPNLJZQUVQXPFF-QGZVFWFLSA-N 393.919 1.891 0 50 GDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)CC1 328645161 SAXGVPCXNIQDDF-AWEZNQCLSA-N 376.409 1.386 0 50 GDAA O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCN2C(=O)N=C(O)[C@@H]2C1 328945084 LZFYCXPBPLIESH-INIZCTEOSA-N 378.388 1.900 0 50 GDAA Cn1cc([C@H]2CN(C(=O)[C@H](c3ccccc3F)N3CCOCC3)CCO2)cn1 333174362 QQZMUEFYXLKJHF-MOPGFXCFSA-N 388.443 1.533 0 50 GDAA COCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(CC(=O)Nc3ccccc3)[C@H]2C1 534576034 MNKATOKEMLUBOS-FUHIMQAGSA-N 375.469 1.400 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)cc2)n1 652902631 UPAUFNOOXYPOQY-UHFFFAOYSA-N 379.468 1.624 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccccc2-n2cncn2)C1 823413008 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C[C@@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 1772707554 PVMDGQQDEQCPDQ-VXGBXAGGSA-N 385.445 1.789 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(c4cnccn4)C[C@]3(CN(C)C)C2)nc(C)n1 1772816636 XUTFNHACPBHPEK-OXJNMPFZSA-N 381.484 1.024 0 50 GDAA CC(C)c1ccc2cc(C(=O)NC[C@@]3(c4nccn4C)NC(=O)NC3=O)[nH]c2c1 1775985524 IGGRMNXNOMXSFY-FQEVSTJZSA-N 394.435 1.490 0 50 GDAA CCCn1ncc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCCCc2cnn[nH]2)c1C 1775991417 LIYSMIKHWZILDG-DKSSEZFCSA-N 399.499 1.462 0 50 GDAA O=C(c1cn2cccnc2n1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857677098 XBPWVOGBKRBVPO-FQEVSTJZSA-N 377.404 1.619 0 50 GDAA COc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)N3CCCCC3)C2)c(OC)n1 1857685114 OYVKDJSEWRJRTL-JLTOFOAXSA-N 389.452 1.200 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccccc2)C1)c1cn[nH]c1 1857687039 ITLBCHSALFGSMZ-RXVVDRJESA-N 381.480 1.495 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3CCC3)[C@H]2c2cnn(C)c2)CC1 1857704608 ZEQMTZDZASNFPC-OALUTQOASA-N 375.517 1.126 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)nc1 1857711734 FAYSTCWEVDDHOJ-AWEZNQCLSA-N 386.477 1.710 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857739345 JBCDLEDHPHUHDN-ROUUACIJSA-N 390.461 1.217 0 50 GDAA CN(C)c1ncccc1C(=O)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3 1875239810 ZGGIRQAYUVIHDQ-KCXPTXFHSA-N 393.491 1.956 0 50 GDAA Cn1ccc(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3Cc4cc(F)ccc4O3)C2)n1 1875306656 BDMRFBZWXKUSMW-PZPSRYQVSA-N 386.427 1.116 0 50 GDAA CN(C[C@@H]1CCN(C(=O)c2nsc3ccccc23)C1)C(=O)[C@H]1CCNC1=O 1875360334 GANMFBMZJOKUQM-JSGCOSHPSA-N 386.477 1.353 0 50 GDAA COC(=O)/C=C/C(=O)N1CCC[C@H](c2nnc3n2C[C@H](C(F)(F)F)CC3)C1 1875380042 CXBWPYNLWBZYAM-FNSAGKMKSA-N 386.374 1.838 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 1875402451 HAUPZPVENYKXJQ-QXAKKESOSA-N 395.463 1.317 0 50 GDAA Cc1ncsc1CCNC(=O)c1cn2c(n1)CCN(c1nncs1)CC2 2100543112 LWAGCZHXVCLHLK-UHFFFAOYSA-N 389.510 1.535 0 50 GDAA O=C1CN(Cc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)CCN1 2325721043 OLEDQFYHTIWFBL-UHFFFAOYSA-N 380.404 1.202 0 50 GDAA CN(Cc1cccc2cc[nH]c12)C(=O)C(=O)N[C@H]1CCN(Cc2ccncc2)C1 2325820841 OEKCOKNLQGGFPV-IBGZPJMESA-N 391.475 1.912 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)C2(Cc3ccccc3F)CNC2)C1 2356145858 LDVLPSQZDKAUDK-OAQYLSRUSA-N 395.482 1.667 0 50 GDAA CN(C)c1ccc(-c2ccnc(N3CCN(CCn4cncn4)CC3)n2)cc1 2356165426 IDJCWEDVAMBGBM-UHFFFAOYSA-N 378.484 1.623 0 50 GDAA O=C(c1c(O)cccc1O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166762 MOCKYHJFEDZUJK-VTJXTGGHSA-N 388.464 1.999 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)CC[C@@H]1O 2356138036 FVRXCDUWFKMJIT-OXJNMPFZSA-N 389.452 1.603 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2nnc3n2CCCCC3)C1=O 2356142987 PQPSAQNOLDPUMQ-LJQANCHMSA-N 375.473 1.248 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4sccc4nc23)CC1 4111056 CVTLMHTWAFWFFV-UHFFFAOYSA-N 386.433 1.824 0 50 GDAA CCS(=O)(=O)CCN1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O 225456798 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1.160 0 50 GDAA CC(C)C(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(F)[C@H]1OC(=O)C(C)C 72104316 MLESJYFEMSJZLZ-BMGJLBJMSA-N 399.419 1.218 0 50 GDAA biogenic,in-man CCn1nc(C)cc1C(=O)N[C@@H]1C[C@@H](C(=O)NCc2cc(C)no2)CC[C@H]1O 1940195970 ZHWSLDFAYKSTQH-YSVLISHTSA-N 389.456 1.084 0 50 GDAA O=C(c1ccc2nnc(O)n2c1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 1355230974 BRFRNPSFZZZENH-LSDHHAIUSA-N 379.420 1.557 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cccc(-c3ccccc3F)c2)C1 952982489 ACAZVAHCMQQMCX-INIZCTEOSA-N 392.452 1.883 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1C 186121464 KNYBUVLOIPLQBS-KRWDZBQOSA-N 379.526 1.505 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCCN(c2ccc(C(N)=O)cn2)C1 1506398832 GAHSWLWXLRFSSO-MRXNPFEDSA-N 398.511 1.496 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 1506400473 AIHXEFBUCHEABG-FQEVSTJZSA-N 393.553 1.960 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(F)c(Cl)cc2Cl)C[C@@H]1O 1529167272 HDILEWCMOUOGLE-HZMBPMFUSA-N 385.288 1.817 0 50 GDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772706597 UCHINANTFLHTCC-XIKOKIGWSA-N 381.812 1.603 0 50 GDAA CCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 11758910 RFQMYKLNNNQMAZ-INIZCTEOSA-N 376.453 1.498 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3cn(C)nc3-c3ccccc3)CCN2C1=O 14733043 XTVACDTYTPLZCP-RTBURBONSA-N 395.507 1.644 0 50 GDAA O=C1N[C@H](CO)C(=O)N2C[C@@H](NCc3sc4ccccc4c3Cl)C[C@@H]12 14748684 VQPVEGRBCQFCCX-WCQGTBRESA-N 379.869 1.105 0 50 GDAA O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 4333183 SBGJTNORRXFPGQ-JTQLQIEISA-N 377.285 1.241 0 50 GDAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 881366 QQPBCLBJUNBRKG-UHFFFAOYSA-N 390.461 1.977 0 50 GDAA C[C@@H](Sc1nc(N(C)C)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1 4195591 STONFMMOOJUESO-CYBMUJFWSA-N 388.497 1.894 0 50 GDAA O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CC[C@H](CO)[C@@H](O)C2)CC1 1857720887 PKRGFSNPHULCOY-WBVHZDCISA-N 380.872 1.394 0 50 GDAA CCOCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CC)CC(=O)N2[C@H]1c1ccccc1 1857739147 DNPWIAYMOHOEIX-ZWOKBUDYSA-N 387.480 1.350 0 50 GDAA CCCN1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCC(=O)NC)C1 1875249948 LYFYGIYUZZJUPM-QFIPXVFZSA-N 394.523 1.808 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCN(c2ccccc2F)C1=O 264852108 LYPSAWOZDMENPG-INIZCTEOSA-N 399.422 1.876 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)ncn2C 1253571182 VZRMMEBHJYJTJD-CQSZACIVSA-N 387.465 1.999 0 50 GDAA CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C 830850982 CSCMWFOHUCGNGT-AUUYWEPGSA-N 385.505 1.512 0 50 GDAA CCc1cc(C)nc(N2CCN(CCNC(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)n1 1875312367 MAAQXSCLDGERQA-HNNXBMFYSA-N 399.543 1.729 0 50 GDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@@H](CO)[C@@H](CCO)C1 1875318607 IYLWJDVITHHFRH-RYUDHWBXSA-N 376.379 1.777 0 50 GDAA CCc1n[nH]c(CC)c1CC(=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403101 PYOVOIWAYCHHIB-YMRXKLBXSA-N 379.892 1.883 0 50 GDAA CCc1oc(C(=O)N2CCC3(CC2)Cn2nc(C(=O)NC)cc2CO3)cc1C 1775961840 DGHPFUGMEDPZST-UHFFFAOYSA-N 386.452 1.912 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1NC1CCOCC1 2100544617 BNCOFKKHJVCHPR-QXAKKESOSA-N 378.517 1.732 0 50 GDAA CCCC(=O)N1CCn2ncc([S@@](C)(=O)=NC(=O)C34CC(CO3)C4)c2C1 2325785369 SMNMXBCLCZGNSB-PXRIIFGFSA-N 380.470 1.188 0 50 GDAA CCc1nc(CN2CCC[C@H](N(C)C(=O)[C@H](N)C3(OC)CCCC3)C2)no1 2325800767 FAOGQUSAAVCJIP-YOEHRIQHSA-N 379.505 1.341 0 50 GDAA NCc1nnc2n1CCN(Cc1c[nH]nc1-c1cccc(Br)c1)C2 2325818062 XBVIDEUKFZHFGN-UHFFFAOYSA-N 388.273 1.905 0 50 GDAA O=C(CCC(=O)c1cccs1)NC[C@@H](O)CNC(=O)Cc1ccccc1F 2325826122 PSECJTVIPLRPEZ-CQSZACIVSA-N 392.452 1.686 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC4CC5(CC5)C4)cc3C2=O)C(=O)N1 2325900692 GCJRZVJGHSGXCI-INIZCTEOSA-N 397.431 1.616 0 50 GDAA NS(=O)(=O)N1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 2356143143 WHUAAQVQUTYYTI-UHFFFAOYSA-N 386.817 1.019 0 50 GDAA CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)C1CCOCC1 55099946 BBELBPRSCRMXHG-QGZVFWFLSA-N 397.878 1.807 0 50 GDAA CN1CC[C@@H](CNc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1 67743135 KLCJSKRDCXVFSP-KRWDZBQOSA-N 387.528 1.382 0 50 GDAA CCC(=O)N1CC[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 170595690 NGFYCLZYGIGNHO-QMMMGPOBSA-N 394.266 1.658 0 50 GDAA N[C@@H](CO)C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67714818 VBWBKCRTTORYCS-ZDUSSCGKSA-N 385.445 1.710 0 50 GDAA CC[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)N1CCCC1=O 329362586 CXOHOSUTOYAPLY-CVEARBPZSA-N 385.530 1.240 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H](N)c3ccc(F)cc3F)cc12 170684718 OTNDWBOZZMMHLC-HNNXBMFYSA-N 381.408 1.533 0 50 GDAA O=S(=O)(N1CCOCC1)N1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 373635558 CHJYXRXABAZPED-QGZVFWFLSA-N 387.546 1.063 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCCC3)[C@H]4C2=O)c1 77285331 VSEXRJAOQXYRRS-WEMPKCCASA-N 382.460 1.990 0 50 GDAA CCC1(CC)CCN(Cc2ccc(C(=O)NC[C@@H]3COCCO3)c(=O)[nH]2)C1 77286853 BZXIFDDPTRMXBY-MRXNPFEDSA-N 377.485 1.532 0 50 GDAA O=C(NCCn1ccnc1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71770980 YFOIGWYREXPCDZ-FQEVSTJZSA-N 396.539 1.771 0 50 GDAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCC(Cc3noc(C)n3)CC2)n1 223560189 XQIZBITTYQAUPD-LLVKDONJSA-N 377.470 1.732 0 50 GDAA O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 131851473 TTWZFOXOHGRBEG-UHFFFAOYSA-N 396.476 1.946 0 50 GDAA COCCN1CCC[C@H](CNC(=O)N2CCN(c3ccncc3C)CC2)C1 426500046 DUOZVGAEBUIBIS-GOSISDBHSA-N 375.517 1.580 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccc(CCN)c1)CC2 95527648 FITARNAVWLGTKM-UHFFFAOYSA-N 397.523 1.433 0 50 GDAA O=C(O)c1cccc([C@@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)c1 95390308 IIQJEHHIGFDWOQ-MRXNPFEDSA-N 396.465 1.606 0 50 GDAA Cc1ocnc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 95506517 MIJCFMMPQFAVNQ-CYBMUJFWSA-N 381.396 1.450 0 50 GDAA COCCN(Cc1c(C)nn(C)c1C)C(=O)NCc1cn2c(n1)SCC2 426491139 XDVNNNBZFPNVKF-UHFFFAOYSA-N 378.502 1.697 0 50 GDAA O=C1COc2c(Cl)cc(NC(=O)N3Cc4cnn(CCO)c4C3)cc2N1 97334303 IAWIPJFFDLFSOM-UHFFFAOYSA-N 377.788 1.407 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N1CCn2nc([C@H](O)C3CC3)cc2C1 230497634 CCGWXVAVDFEWFR-GOSISDBHSA-N 376.482 1.519 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](c2nnc3ccccn23)C1 91713838 QWRCIKSEVRQRMI-HNNXBMFYSA-N 388.431 1.845 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n(C)n1 91931114 BFCSRDGRFZQJPN-FQEVSTJZSA-N 384.484 1.539 0 50 GDAA CC[C@H](C)S(=O)(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1 95355220 RFLNOMMPSJJWSK-LBPRGKRZSA-N 381.502 1.241 0 50 GDAA COCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95504729 DYXYLDGHPYZMQX-UHFFFAOYSA-N 390.889 1.519 0 50 GDAA CSc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cn1 95381270 NJRJSGANSSSIGL-DZGCQCFKSA-N 383.477 1.970 0 50 GDAA O=C(Cn1cnc2ccsc2c1=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 827861389 HBLLIVABUUGURL-GFCCVEGCSA-N 386.433 1.472 0 50 GDAA CCN1CCN(C(=O)NCc2noc(-c3c(F)cccc3F)n2)[C@@H](C)C1=O 584904054 ZGVXLXCMSUIHGD-JTQLQIEISA-N 379.367 1.777 0 50 GDAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc(OC)c3c2CCCC3)C1 670473080 SNSLJUUOJCCHOP-HNNXBMFYSA-N 382.526 1.821 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1 952973183 KQJBGLSGPTYJID-MRXNPFEDSA-N 397.439 1.661 0 50 GDAA CCn1c(O)nc2cc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)ccc2c1=O 268934456 GIDQTEOVMCIJPV-XZJROXQQSA-N 385.420 1.980 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 299749461 KJZOHUYDIGNKMF-HNNXBMFYSA-N 384.417 1.921 0 50 GDAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(=O)O)c1 299753251 XMBOPOITMUIDSC-CVEARBPZSA-N 382.482 1.026 0 50 GDAA Cc1cc(CN2CCN(S(=O)(=O)Cc3noc4ccccc34)CC2)no1 185639811 NAQLSOBDMOSFEQ-UHFFFAOYSA-N 376.438 1.772 0 50 GDAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1sc(C)nc1C)CC2 12450310 WXWOOZGMUDWCFJ-NSHDSACASA-N 390.513 1.712 0 50 GDAA C[C@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12467210 KTLUKFMPBBRFLN-AWEZNQCLSA-N 395.463 1.958 0 50 GDAA COc1cccc(CNCC2CCOCC2)c1OC[C@@H](O)CN1CCOCC1 12707448 OFQWDELQIBVPRD-IBGZPJMESA-N 394.512 1.283 0 50 GDAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCC(C)(C)CO)C2 14541403 LWRRMUYDIXTNKV-HNNXBMFYSA-N 388.487 1.955 0 50 GDAA Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14542021 DUUGMBHQLKPFHI-WDSOQIARSA-N 393.443 1.141 0 50 GDAA O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N1CCC[C@H](O)C1 19772425 ZRIYQRCTWXFCHU-SFHVURJKSA-N 384.480 1.589 0 50 GDAA O=C(NCCCN1CCOCC1)[C@H]1CC(c2cccc(Br)c2)=NO1 19871474 YZUUMEGMCREQGZ-MRXNPFEDSA-N 396.285 1.781 0 50 GDAA COc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 1865171 JETITVWASWXIHF-UHFFFAOYSA-N 390.823 1.938 0 50 GDAA O=C(NCCCO)c1cc2c(s1)CCOC21CCN(C[C@H]2CCOC2)CC1 1857695201 ZLBHUICSBDHQMZ-OAHLLOKOSA-N 394.537 1.761 0 50 GDAA CCc1nccn1CCC(=O)N[C@H]1CCCC12CCN(C(=O)CN(C)C)CC2 1857700477 CTXQHYHKPOBXAD-KRWDZBQOSA-N 389.544 1.675 0 50 GDAA O=C1NCC2(CN(C(=O)C3CCN(c4nc5ccc(Cl)cc5o4)CC3)C2)N1 1857718175 BPGHDUOFEJBOLC-UHFFFAOYSA-N 389.843 1.591 0 50 GDAA COc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1C[C@@H](N)[C@H](O)C1 1857719564 OQPGTOKXAPCWAZ-ZMSDIMECSA-N 393.447 1.607 0 50 GDAA Cn1ccc(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)cc1=O 1857721794 GPXAOVMAIUZDOO-UHFFFAOYSA-N 380.448 1.879 0 50 GDAA CN(CCc1ccccn1)[C@H]1CCN(c2nnnn2-c2ccccc2)C[C@@H]1O 216591405 JSXUTUUWMONUHR-OALUTQOASA-N 379.468 1.171 0 50 GDAA CCN1CCC[C@@H]1CN(C)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 119339362 WLUFTPYTPHZTBI-CYBMUJFWSA-N 376.482 1.439 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 247997575 AUXJFAGVSUNUMQ-ZBFHGGJFSA-N 389.481 1.347 0 50 GDAA O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 363712066 SFDDGRDVIXFSCN-ICSRJNTNSA-N 385.508 1.908 0 50 GDAA C[C@@H](C(=O)N1CCC(C(=O)N2CCC[C@@H]2C(N)=O)CC1)C1CCC(C)(O)CC1 1875263464 IEKXSKAKRFEMPM-OQKQTVMUSA-N 393.528 1.279 0 50 GDAA Cn1c(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc2ccccc2c1=O 1875256190 VZOXSOWDHODOAJ-UHFFFAOYSA-N 379.372 1.433 0 50 GDAA O=C1CC2(CN1)CN(C(=O)[C@@H]1CCCN1C(=O)Cc1ccc3ccccc3c1)C2 1875254928 OWFJAZDINMFZQJ-IBGZPJMESA-N 391.471 1.722 0 50 GDAA CN(CCn1cccn1)C(=O)[C@@]1(O)CC(=O)Nc2ccc(Br)cc21 1875323388 GSAKMMAAHUZAFQ-MRXNPFEDSA-N 393.241 1.334 0 50 GDAA O=S1(=O)Cc2ccc(S(=O)(=O)N3CC(F)(c4ccccc4)C3)cc2C1 1875396399 FRQNBJXORVWYBU-UHFFFAOYSA-N 381.450 1.984 0 50 GDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cnc(N2CCOCC2)nc1 1875400187 SWBRXVRAEGWICD-IAOVAPTHSA-N 392.891 1.092 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2cccnc2)CC1 888103655 RLSRAIRALJZBOO-RBUKOAKNSA-N 385.512 1.697 0 50 GDAA Cn1cc(N2C[C@H](C(=O)N3CC(C)(C)[C@@H]3c3nccn3CC3CC3)CC2=O)cn1 888100616 ULYUHODGZCHPPS-QAPCUYQASA-N 396.495 1.989 0 50 GDAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1N1CCOCC1 2100544630 CAWDQAWCZGEBQD-UYAOXDASSA-N 397.475 1.602 0 50 GDAA Cc1nc(C)c(C(=O)N[C@H]2C[C@H](C(=O)N3CCc4ncccc4C3)C[C@@H]2O)o1 2100556712 QBWZLZMRFLZDPD-XIRDDKMYSA-N 384.436 1.141 0 50 GDAA COC(=O)c1nc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c2sccc2n1 2325802583 OVIHXZYUFHGBJV-LBPRGKRZSA-N 389.481 1.269 0 50 GDAA CCn1ccc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)cc1=O 2356150379 ZDJGFCVTKNGQHD-UHFFFAOYSA-N 377.448 1.749 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)cc1OCCCN 2356157837 SWGHMIDJTWPRPD-FQEVSTJZSA-N 392.496 1.959 0 50 GDAA Cc1nn(C)cc1CNC(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356159464 BJTXJDBBWJZBCG-CEQIKUNHSA-N 379.464 1.677 0 50 GDAA Cn1ccc(=NC(=O)CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)[nH]1 2356162051 VGWHDRONPWTXGN-OAQYLSRUSA-N 381.480 1.438 0 50 GDAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 55107910 GWRKVBWERJQIIE-HXUWFJFHSA-N 389.496 1.840 0 50 GDAA O=S(=O)(c1cccnc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 65363593 BCEIPYPWJBMLNP-UHFFFAOYSA-N 397.464 1.521 0 50 GDAA COc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1Cn1cccn1 20906338 BUMJKXOPLASCFH-WOJBJXKFSA-N 386.496 1.207 0 50 GDAA O=C(c1ccc(N2CCC(CO)CC2)nc1)N1CCC(N2CCOCC2)CC1 67649670 GHSPEIUMBTUUAR-UHFFFAOYSA-N 388.512 1.227 0 50 GDAA Cc1c(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cnn1C 67803933 VRYRVASNBLVEHA-DHIUTWEWSA-N 397.567 1.524 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1cccc(-c2csc(C)n2)c1 71278989 PBOAHOBMYZDMMU-CJNGLKHVSA-N 394.522 1.345 0 50 GDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)C2)n1 328614665 WOHFSOVSKAWINC-GOSISDBHSA-N 393.465 1.982 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(Cc3ncc(Cl)cc3Cl)C2=O)nn1 328609578 FAVUSDBYMVLVHJ-GFCCVEGCSA-N 399.238 1.494 0 50 GDAA C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(CC(N)=O)CC1 124897847 XVQVXEFMXQUNAW-QGZVFWFLSA-N 386.540 1.743 0 50 GDAA Cn1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cccc1=O 157992223 GRKOHKDDGYZLRH-QGZVFWFLSA-N 375.856 1.842 0 50 GDAA COc1cccc(OCC(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77338985 RLXZRLCSWNSAGU-MSOLQXFVSA-N 396.509 1.040 0 50 GDAA O=C1[C@H](N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)CCN1c1ccccc1 333760926 CQBQARBDIOPPOR-CEXWTWQISA-N 383.496 1.012 0 50 GDAA CC(C)Oc1ccc(NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)nn1 375500216 ZZNJDMUBSJMTKC-UHFFFAOYSA-N 397.501 1.686 0 50 GDAA O=C(O)[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16042218 IZAYJNCKDMBXTP-IXDOHACOSA-N 381.432 1.673 0 50 GDAA biogenic COc1ccc(CO[C@@H]2[C@@H](C)[C@@H](COC(C)=O)O[C@H](COC(C)=O)[C@H]2O)cc1 43763357 HCYJZFRXUQNMKK-VXQVJVCESA-N 396.436 1.471 0 50 GDAA CCCOc1ccc2cc(S(=O)(=O)N3CCN(CCO)CC3)ccc2c1 41097202 ZIRFJKFUUWDYMF-UHFFFAOYSA-N 378.494 1.927 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CCNC4=O)csc3C2)nc1 426383421 XIUDBSJATVUYRR-QGZVFWFLSA-N 384.505 1.882 0 50 GDAA COCCN1CCC[C@@H](CNC(=O)N2CCC(Oc3ncccn3)CC2)C1 426398978 DWBHQPWACORNEV-INIZCTEOSA-N 377.489 1.388 0 50 GDAA COc1cc(=O)n2c(c1C(=O)NC[C@@H]1CCOc3ccccc3C1)CCNCC2 97505689 ASXBEJQBXMJCEE-OAHLLOKOSA-N 397.475 1.374 0 50 GDAA O=C(NC1Cc2ccccc2C1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 95375608 VNVMBPNFUZKGLT-GOSISDBHSA-N 386.473 1.339 0 50 GDAA CC(C)c1noc([C@@H]2CCCCN2C(=O)NCCSc2nnnn2C)n1 426489775 RLXOPDBSAZBWRV-NSHDSACASA-N 380.478 1.745 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cc1O 91986286 WQQSYRBBGIKPPS-AWEZNQCLSA-N 376.453 1.626 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95391301 ICDROEKZIYTZPD-KRWDZBQOSA-N 378.436 1.289 0 50 GDAA O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)CN1CCN1CCOCC1 177357054 RQSNRZDSZVAVRT-OAQYLSRUSA-N 386.540 1.174 0 50 GDAA CCc1nc(C)ccc1OCC(=O)N1CCC(c2nccn2CC(N)=O)CC1 96148270 MLVAVTJKEDOGGJ-UHFFFAOYSA-N 385.468 1.419 0 50 GDAA O=C(CC[C@@H]1CCCN(C(CO)CO)C1)N1CCN(Cc2ccccc2)CC1 95501583 CAFMESOPZJFNDN-FQEVSTJZSA-N 389.540 1.176 0 50 GDAA O=C1CC[C@]2(CCCN(c3ncnc4[nH]cnc34)C2)CN1CCc1c[nH]cn1 91381177 WRAZBDFMYQRQOH-LJQANCHMSA-N 380.456 1.528 0 50 GDAA CCC[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)N1CCc2sccc2C1 182760411 BQRYJRGXERPYKS-CQSZACIVSA-N 398.492 1.908 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)CC2)c1 252572175 YWUMHFOAGODJEH-PIPMEXSNSA-N 397.523 1.479 0 50 GDAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4c(C)n[nH]c4C)c3CO2)cc1 263615752 FAWKCGSQERTQBI-QGZVFWFLSA-N 382.424 1.828 0 50 GDAA CNC(=O)Cn1cc(-c2ccc(C(=O)NCc3nc(C)cc(C)n3)cc2)cn1 534635588 WPFMRJQHTYPNRI-UHFFFAOYSA-N 378.436 1.633 0 50 GDAA COCCn1cnnc1[C@H](C)NS(=O)(=O)c1cc(OC)c(C)cc1OC 670467783 ZXEZSMSERPXDQA-LBPRGKRZSA-N 384.458 1.290 0 50 GDAA CNC(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)c1 1443727501 IPWWRDUIWSXTNA-UHFFFAOYSA-N 397.479 1.659 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)CSc3ccccc3)C[C@@H]2O)no1 1565515220 SCUHLRBIXZHIKM-HOCLYGCPSA-N 375.450 1.467 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)C2 189214757 QQDPKMLNIAWVLI-UHFFFAOYSA-N 385.848 1.944 0 50 GDAA O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529138455 BZMZLKHTLNIUQD-CRAIPNDOSA-N 388.443 1.540 0 50 GDAA Cc1cc(CC(=O)N2CCCN(C(=O)c3cccc4c3OCCO4)CC2)on1 1704309291 MVQZYBFJRGXWMX-UHFFFAOYSA-N 385.420 1.671 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)C(C)(C)NC(=O)c3cccs3)C[C@H]2O)on1 1704280214 VIGGKHVVRINQBL-TZMCWYRMSA-N 377.466 1.615 0 50 GDAA CNC(=O)Cc1nc(CCCc2nc(-c3ccco3)no2)n([C@H]2CCOC2)n1 1772812286 DZJGUNMHEGNYAG-LBPRGKRZSA-N 386.412 1.346 0 50 GDAA CCn1cc(CN2C[C@@H]3CN(C(=O)/C=C/c4ccccc4)C[C@@]3(CO)C2)cn1 1772814785 BJVUQGUEUOAKRY-OFPNUDFGSA-N 380.492 1.869 0 50 GDAA Cc1cc2ncn(Cc3cc(C(=O)N(C)C[C@@H]4COCCO4)n[nH]3)c2cc1C 11664548 XRDZXZUVJLSIKR-MRXNPFEDSA-N 383.452 1.912 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)CC1 12755914 QUNHRCRELUKWPQ-KRWDZBQOSA-N 390.480 1.690 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 13576665 HSVRMEDOLPFQBY-UHFFFAOYSA-N 397.435 1.410 0 50 GDAA COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)cc1 14950393 JZHVCPSZVUSOEP-QGZVFWFLSA-N 375.469 1.326 0 50 GDAA O=C(c1nc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O 19143643 VVJKNBNXXZCVQE-MSOLQXFVSA-N 379.464 1.656 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc2ccccc2[nH]1 206239342 XKHWWQHANHGEOE-MRXNPFEDSA-N 395.419 1.715 0 50 GDAA CCOC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)CC1 785404 HAFJTRSKDRKOBL-UHFFFAOYSA-N 398.481 1.263 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCCS(N)(=O)=O)CC2 1857673193 KZNCUJZAQXFCOG-UHFFFAOYSA-N 376.482 1.083 0 50 GDAA CN(C)C(=O)c1cccc(N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)n1 1857731944 VLGAHIOKLNNVRX-NRFANRHFSA-N 396.495 1.829 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cnn(C)c3C)CC(=O)N2[C@H]1c1ccccc1 1857740094 HNXDSICSESKBDU-BJLQDIEVSA-N 382.464 1.676 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccn2)cc1 11933508 GOCPOHGCCWYZTA-IBGZPJMESA-N 382.464 1.487 0 50 GDAA C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(N(C)C)nc1 804991936 PDPDBMKRLQGUJD-ZDUSSCGKSA-N 384.502 1.778 0 50 GDAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCn2c(nnc2C2CC2)C1 865725629 AOUXDAQRBAKVHH-MRXNPFEDSA-N 383.452 1.855 0 50 GDAA Cn1nncc1S(=O)(=O)N1Cc2cnn(-c3ccncc3)c2CC(C)(C)C1 952894247 MKBMMWPQVULDOF-UHFFFAOYSA-N 387.469 1.169 0 50 GDAA COCCN(CC(N)=O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1875258168 PBCRSYWCEXUWKA-UHFFFAOYSA-N 381.230 1.413 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCCc4c3cnn4C)C2)c1C 1875397865 QUUMWJUXDDGXFN-NVXWUHKLSA-N 397.527 1.775 0 50 GDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)Cn1c(C)cc2ccccc21 1875402001 YCTXNFSFKLYRSS-DOTOQJQBSA-N 380.452 1.172 0 50 GDAA CC(C)c1nnc2n1CCN(S(=O)(=O)C[C@@H]1COc3ccccc3O1)[C@@H]2C 882111223 XTUKHJDRXTYFRH-KGLIPLIRSA-N 392.481 1.948 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2[nH]cnc2Br)CCN1c1ccncc1 882619489 MWWVMUWKAWQHDK-JTQLQIEISA-N 386.275 1.467 0 50 GDAA CCOc1ccc(-c2cn(C3CN(C(=O)c4cn(C)nc4OC)C3)nn2)cc1 883966527 OVQLNHHUAFMVFK-UHFFFAOYSA-N 382.424 1.783 0 50 GDAA O=C(NCC1(O)CCN(C(=O)c2csc(C3CC3)n2)CC1)[C@@H]1CCCCO1 1775991977 NOCHXOGKSIGKHG-HNNXBMFYSA-N 393.509 1.673 0 50 GDAA CN1CCN(c2cc(N[C@@H]3CCC(=O)NC3=O)nc(-c3ccccc3)n2)CC1 1857797697 AYCUYYZUKWPWQN-OAHLLOKOSA-N 380.452 1.113 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)NC[C@H]3C[C@H](S(C)(=O)=O)C3)CC2=O)cc1 2325810807 FNDHPWOKQHZNJF-BRWVUGGUSA-N 378.494 1.283 0 50 GDAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325887738 PKBGDFIGKWRHRA-XNJGSVPQSA-N 383.448 1.851 0 50 GDAA Cn1cc(CN2CC3(C[C@H](NC(=O)C4CCC(F)CC4)c4nccn43)C2)nn1 2332238100 ZEAAMHGJQPRAMC-XUJLQICISA-N 387.463 1.312 0 50 GDAA O=C(Cn1cc(Br)ccc1=O)Nc1ccnn1C[C@@H]1CCOC1 123564274 VXYUWTLANQMSBO-NSHDSACASA-N 381.230 1.483 0 50 GDAA COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(N)=O)cc1Br 2480152 SCPNHOBBQMOKEU-GFCCVEGCSA-N 386.271 1.744 0 50 GDAA C[C@H](NC(=O)c1ccccc1Br)c1nnc(SCC(N)=O)n1C 8784263 FIYGBHLQKGYZEI-QMMMGPOBSA-N 398.286 1.646 0 50 GDAA CN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 67612384 XOUOQFGLWYKKAN-MRXNPFEDSA-N 382.530 1.148 0 50 GDAA COc1ccccc1N1CCN([C@H]2CN(C(=O)c3ccncc3)C[C@@H]2O)CC1 71762264 UIGDRSUEQQCWRU-OALUTQOASA-N 382.464 1.098 0 50 GDAA CN1CCN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 22935099 PELGTCPSPAZNQT-UHFFFAOYSA-N 390.347 1.506 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)c1OC 67675353 WZGGBQILYPCAIA-NRFANRHFSA-N 385.464 1.742 0 50 GDAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCC(O)CC2)nc1 67784306 RPXPACDCJFWYPZ-QGZVFWFLSA-N 383.448 1.955 0 50 GDAA CN(C(=O)[C@@H]1CSCN1C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC1 120280766 NRFKAIUTCPNPFH-INIZCTEOSA-N 375.494 1.780 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)OC)cc1 253420755 DGAOSFLQMUJVQA-CVEARBPZSA-N 382.482 1.533 0 50 GDAA CC(C)NC(=O)c1cnn2c1C[C@H](CNc1nccc(-c3cnccn3)n1)CC2 425252917 IFFXUAJGBJYVSF-CQSZACIVSA-N 392.467 1.943 0 50 GDAA O=C1COc2cc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)c(Cl)cc2N1 328614994 XMHQFDIPQKCIRV-SECBINFHSA-N 383.817 1.076 0 50 GDAA C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)n1cccn1 329027600 KEKLYAPDFLZPCI-UKRRQHHQSA-N 385.472 1.304 0 50 GDAA COc1ccc(NC(=O)Cn2ccc3ccccc3c2=O)cc1-n1nnnc1C 363943183 CZWGNHVSAFAESD-UHFFFAOYSA-N 390.403 1.933 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)CCO1 262304175 OZKYHBMNHHONJY-SNVBAGLBSA-N 376.178 1.669 0 50 GDAA CN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 72135616 IMUMNHPKFZYHNN-HNNXBMFYSA-N 386.418 1.074 0 50 GDAA CN1CC[C@@H](CNC(=O)c2cccc3c2CN(CCc2cn(C)cn2)C3=O)C1 72472928 PTOONXLTBILMCQ-HNNXBMFYSA-N 381.480 1.300 0 50 GDAA COc1cccnc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71747823 RWQFNYNOVKQDCK-OAHLLOKOSA-N 386.496 1.685 0 50 GDAA O=C(NCCn1cnnc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71759330 DWAYUVDGEKEBGM-IBGZPJMESA-N 397.527 1.166 0 50 GDAA Cc1cnn([C@H](C)C(=O)N2CCC3(CC2)CN(CCCN(C)C)C(=O)O3)c1 77358129 TUXOHQHVLFAORO-MRXNPFEDSA-N 377.489 1.518 0 50 GDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@H](C(=O)O)c1ccccc1 71334189 ZLZLQPSBJZDTOQ-IBGZPJMESA-N 381.363 1.992 0 50 GDAA CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1C 170618515 HAXXRXMIENHOPP-SNVBAGLBSA-N 375.433 1.604 0 50 GDAA Cc1cccnc1N1CCN(C(=O)Cc2ccc(N3CCNC3=O)cc2)CC1 77385908 YXVMXVRNZOIXRZ-UHFFFAOYSA-N 379.464 1.811 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3COCCO3)c2)CC1 216053639 LEWYJIFODILGFQ-INIZCTEOSA-N 380.466 1.173 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(C(=O)O)CCOCC1 262719261 DMDTXMGMYGHUBQ-KRWDZBQOSA-N 387.436 1.213 0 50 GDAA CC(C)NC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77424543 GZRXCGCXZWPELX-MRXNPFEDSA-N 381.498 1.620 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)O)c1 237671130 XAPHKFBFDWCOFQ-KGLIPLIRSA-N 386.370 1.765 0 50 GDAA CC1(C)COCCN1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 170885268 OAJVJYSFEKWONN-UHFFFAOYSA-N 382.404 1.974 0 50 GDAA O=C(NCCCN1CCC(O)CC1)N1CCN(Cc2ccc(F)cc2)CC1 426589105 RUCYJRVOTYEENA-UHFFFAOYSA-N 378.492 1.500 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4nc(C)c[nH]4)C3)CCC2=O)cn1 91908228 IUVJRWBSNSRRMR-FQEVSTJZSA-N 382.468 1.862 0 50 GDAA COc1cc(CN2CCCOCC2)ccc1OC[C@@H](O)CN1CCSCC1 95528264 IMPKXQOSMNHTEJ-SFHVURJKSA-N 396.553 1.706 0 50 GDAA O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 95387720 ICJITRUBYGYXMO-UHFFFAOYSA-N 384.461 1.861 0 50 GDAA Cc1noc(C)c1CN1CC2(CCN(C(=O)c3ccnc(N)c3)CC2)CC1=O 91830387 KCQQSMWIEVSNGR-UHFFFAOYSA-N 383.452 1.924 0 50 GDAA Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)n1 91321369 XAZLUJFCXPAKMF-HNNXBMFYSA-N 386.427 1.315 0 50 GDAA COc1ccc(N2C(=O)[C@@H](CCC(=O)NCc3c(C)n[nH]c3C)N=C2O)cc1 252494093 NKTDKUSVSSNRNZ-MRXNPFEDSA-N 385.424 1.761 0 50 GDAA Cc1nc(O)cc([C@H]2C[C@H](NS(=O)(=O)c3cccc4c3OCCO4)C2)n1 253535592 HLJNRYOARXXOFL-HAQNSBGRSA-N 377.422 1.486 0 50 GDAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 55060555 VSSYASBZFQJUBE-LJQANCHMSA-N 382.464 1.319 0 50 GDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940193498 GEHPLQFWCTVQIA-GJZGRUSLSA-N 392.481 1.021 0 50 GDAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(N2CC(=O)NC2=O)cc1 821810256 XDVVOHOHSVPCLI-HNNXBMFYSA-N 392.459 1.919 0 50 GDAA COc1cccc(N2C[C@@H](NC(=O)N(Cc3cnn(C)c3)C3CC3)CC2=O)c1 584885275 XSTHHPQCTSNMLI-HNNXBMFYSA-N 383.452 1.908 0 50 GDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)COc1ccc(-n2cnnn2)cc1 952965086 QDZIJGMBNANCDT-UHFFFAOYSA-N 392.379 1.145 0 50 GDAA COc1cccc(C(=O)NCC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 273044485 IGXPEBZUDNKKIF-GOSISDBHSA-N 399.422 1.828 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(CCN3CCO[C@H](C)C3)CC2)c(C)s1 191566335 FUQQNTCMIMMCBC-CQSZACIVSA-N 387.571 1.392 0 50 GDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 193268612 JULDDYJVUIELNQ-BRWVUGGUSA-N 399.413 1.378 0 50 GDAA C[C@H](C(=O)N1CCCN(c2cncc(C(=O)O)n2)CC1)N(C)C1CCCCC1 1775983071 RMQSCEFPNJEDGL-OAHLLOKOSA-N 389.500 1.867 0 50 GDAA CN1CCOC2(CCN(C(=O)CCCc3nc(-c4ccncc4)no3)CC2)C1 1772806886 LRWDCIQEDNTKAV-UHFFFAOYSA-N 385.468 1.778 0 50 GDAA 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1.450 0 50 GDAA O=C(Cc1ccc(O)c(Cl)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91433957 FXESTDVYFZYVLB-AEFFLSMTSA-N 396.915 1.910 0 50 GDAA O=C(Cn1ccccc1=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95379958 NEOPBAGPCDXYTR-SFHVURJKSA-N 377.448 1.894 0 50 GDAA COc1cccc2c1OCCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C2 95386393 KYZZUOQHEALIOZ-INIZCTEOSA-N 375.469 1.216 0 50 GDAA CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2nc(C)c(CCC(=O)O)c2C)cc1 299747057 BZSPXCHGYBMJQB-SFHVURJKSA-N 398.463 1.857 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 299749412 KGBASERNBMOTKJ-FABXCBLPSA-N 382.420 1.618 0 50 GDAA Cn1[nH]c(C(=O)N=c2[nH]nc(Cc3ccc(Cl)cc3Cl)s2)nc1=O 1940197412 OPTJMQCQOGEYKC-UHFFFAOYSA-N 385.236 1.532 0 50 GDAA Nc1ncc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c(-c2ccccc2)n1 299780147 TWHXZHAOMNAPAT-HOTGVXAUSA-N 377.408 1.303 0 50 GDAA COc1ccccc1CN(Cc1cccnc1)C(=O)NC[C@@H]1CN(C)C(=O)CO1 584903749 OAYNTCCHNYQXIL-GOSISDBHSA-N 398.463 1.659 0 50 GDAA CCCN1C[C@H](NS(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1=O 670471184 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Cc1nc(-c2cccc(C(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)c2)c2sccc2n1 2356138876 RRPVTKJYPBIPEI-JOCBIADPSA-N 397.456 1.924 0 50 GDAA Cn1nnc([C@H]2CN(C(=O)Cn3cc(C(=O)C4CC4)c4ccccc43)CCO2)n1 2356157014 AHLDZPQUNUDJOI-QGZVFWFLSA-N 394.435 1.358 0 50 GDAA O=C(NCC(=O)N1CCCc2ccccc21)[C@H]1COCCN1CC(F)(F)F 283109210 SGHZKACKQLWACM-OAHLLOKOSA-N 385.386 1.345 0 50 GDAA CCOC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)C1 10463011 QODDQXOIKORBHO-HNNXBMFYSA-N 382.482 1.465 0 50 GDAA CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 55414252 JVHGYHHMAGMIDO-HXUWFJFHSA-N 386.540 1.487 0 50 GDAA O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccn1)C[C@@H]1CCCO1 55360566 QICJHXADPZNWKO-INIZCTEOSA-N 379.416 1.885 0 50 GDAA Cc1ccc(OC[C@@H](O)CNC(=O)C2CCN(C(=O)N(C)C)CC2)c(C)c1 20208785 KJBVZASWDADSPY-KRWDZBQOSA-N 377.485 1.553 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N(CCO)[C@@H]3CCc4ccccc43)cc12 119564752 FDHSVEBVBKUXAJ-GOSISDBHSA-N 386.477 1.947 0 50 GDAA O=C1N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1C1CCOCC1 67833740 VSMCDMXEWJBZDR-HXUWFJFHSA-N 375.444 1.837 0 50 GDAA COCCn1c(CN2CCN(C)CC2)cnc1S(=O)(=O)C1CCCCCC1 23372867 NJGCXWOFWULFHH-UHFFFAOYSA-N 398.573 1.773 0 50 GDAA C[C@@H](Cn1cccn1)C(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccncc2)C1 67724691 JRHUZVHAIBGNOM-AWEZNQCLSA-N 394.435 1.442 0 50 GDAA CS(=O)(=O)NC[C@@]1(O)CCCN(Cc2cc(-c3ccccc3)no2)CC1 72156926 VZXOGLMDPYSUQQ-GOSISDBHSA-N 379.482 1.608 0 50 GDAA COc1cc(S(=O)(=O)N(C)Cc2cccc(C)n2)cc(C(=O)O)c1OC 448550241 SKMAKUPHSCLIJC-UHFFFAOYSA-N 380.422 1.926 0 50 GDAA COc1ccccc1CC(=O)N1CCC(NC(=O)c2cn3cccnc3n2)CC1 129306890 DYGHZYCBDBKHPF-UHFFFAOYSA-N 393.447 1.701 0 50 GDAA CCn1c(N)nc2cc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cnc21 77472623 SDJHEMBDKRIAJO-UHFFFAOYSA-N 377.412 1.186 0 50 GDAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)NCc1cccs1)C2 219095086 SAHWWKDZRNULTK-QGZVFWFLSA-N 377.514 1.062 0 50 GDAA CO[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cncc(F)c3)c2)C1 215156994 LSHRTVRQNVEVBN-HNNXBMFYSA-N 379.413 1.882 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1COC(=O)N1CCOCC1 367799552 BPBKLCFKOXLYSK-QGZVFWFLSA-N 392.500 1.819 0 50 GDAA CC(C)NC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71523598 FGULHUQOBINIGZ-GOSISDBHSA-N 387.528 1.992 0 50 GDAA COc1nc2c(cc1CNC(=O)CCn1ccnc1)C(=O)N(C1CCCC1)C2 71771439 ZQKPQTSFBKDNEV-UHFFFAOYSA-N 383.452 1.892 0 50 GDAA C[C@@](O)(C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1)c1ccccc1 71776762 GCKXAKCAYJPCCQ-NRFANRHFSA-N 376.416 1.624 0 50 GDAA COc1cccc(-c2nccn2C[C@H]2CN(S(C)(=O)=O)CCO2)c1OC 77424907 NFKWFIZBKIJUML-ZDUSSCGKSA-N 381.454 1.228 0 50 GDAA COc1ccc(CCC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1OC 262543220 RZJCOGIRYLOWOX-MRXNPFEDSA-N 375.469 1.059 0 50 GDAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)NCc2ccccc2)CC1 71746087 AOEJENBZSUPTTI-UHFFFAOYSA-N 388.493 1.444 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1cncn1C 290067679 CBEURKRQOWYEHU-UHFFFAOYSA-N 381.458 1.391 0 50 GDAA COc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)cc(OC)c1OCCCN 426398054 MIHIOVKJFGUTRA-CQSZACIVSA-N 389.456 1.835 0 50 GDAA C[C@@H](NC(=O)c1cc2ncc(CCO)cn2n1)c1nc(-c2ccccn2)no1 426443214 IXOCYFSCQAHFCA-LLVKDONJSA-N 379.380 1.200 0 50 GDAA CCOc1cc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@H]2C(=O)OC)ccc1O 239347226 MMIFBDXLUPTCJF-NNFUDEMPSA-N 380.393 1.177 0 50 GDAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC(NS(C)(=O)=O)CC1)cn2C 91416585 DORGKQQWGAEYAP-UHFFFAOYSA-N 377.466 1.001 0 50 GDAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1c[nH]c2ccccc12 263585339 HORKUQBITAZWMV-KRWDZBQOSA-N 380.404 1.930 0 50 GDAA biogenic CCCO[C@@H]1CC[C@H](C(=O)NC2CCC2)C[C@H]1NC(=O)CCn1cnnc1 1940196268 XBOWSMODUQWOMW-USXIJHARSA-N 377.489 1.417 0 50 GDAA Cn1ccc(NC(=O)CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)CCC4)C2)n1 828079799 QPQMQKFVKDFZRN-INIZCTEOSA-N 395.507 1.989 0 50 GDAA Cc1cc(=O)n(CCN2CCC(CNC(=O)c3oc(C)nc3C)CC2)c(O)n1 825302652 WNKZJIGKEOKYLY-UHFFFAOYSA-N 389.456 1.004 0 50 GDAA COc1nc(N2CCC[C@@H](CNC(=O)c3ccc(C)n(C)c3=O)C2)ncc1F 824845459 PYUUISRFUUOBKB-ZDUSSCGKSA-N 389.431 1.278 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCC2CCN(C(=O)C(C)C)CC2)C1 670469161 UFKFIQMQGRWYDD-MRXNPFEDSA-N 375.535 1.074 0 50 GDAA CCn1ccnc1CN(C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875300316 XSLOCPCTNCXMPD-MRXNPFEDSA-N 385.516 1.722 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cn(C(C)C)nn3)C2)c1C 1875396806 CNSBGFRQZVFKEX-OAHLLOKOSA-N 386.504 1.336 0 50 GDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2nn[nH]c2c1 1565507135 XGCGBZJDYXBFFR-HIFRSBDPSA-N 376.420 1.730 0 50 GDAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565507672 NTVSZXCQBYTBIP-GJZGRUSLSA-N 377.470 1.412 0 50 GDAA CCc1ccccc1C(=O)NC[C@@H]1CCCN(CCCS(=O)(=O)N(C)C)C1 952988407 RGGWLNHCRUGVJK-KRWDZBQOSA-N 395.569 1.972 0 50 GDAA CN1CCN([C@H]2CCCCN(S(=O)(=O)Cc3noc4ccccc34)C2)CC1 186019781 WJVCLWJKJLASAK-INIZCTEOSA-N 392.525 1.760 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCO2)cn1 275271972 JFDVTOXMZLSYDH-OAHLLOKOSA-N 379.438 1.436 0 50 GDAA CN1CCN(c2ccc(CNC(=O)C3CCN(CC(F)F)CC3)cn2)CC1 225502224 HKVSSDYCNXJFND-UHFFFAOYSA-N 381.471 1.427 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2cnn(-c3ccccc3C)c2)C1 1506420914 DOEVMSRJBYHEIW-MRXNPFEDSA-N 378.498 1.874 0 50 GDAA COc1ccccc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529115074 XYROJQVGVWMTKZ-UXHICEINSA-N 381.432 1.838 0 50 GDAA COc1cccc([C@@H]2CCN(c3nc4c(c(O)nc(=O)n4C)n3C)C2)c1OC 1529191352 XFBHBBCZCKPFAZ-LLVKDONJSA-N 385.424 1.384 0 50 GDAA Cc1ncc(CN(CCO)C(=O)CCSc2ccc3c(c2)OCCO3)[nH]1 1704313298 IGBWMTPBCBZWCW-UHFFFAOYSA-N 377.466 1.993 0 50 GDAA CCc1ccccc1CN1C[C@@H]2CN(C(=O)c3ccc(O)nc3)C[C@@]2(CO)C1 1772812541 MVZAGYOSIVJDAL-DENIHFKCSA-N 381.476 1.916 0 50 GDAA C[C@H]1CN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)C[C@@H](C)O1 12300044 NSMNTXYKZPKCQL-GASCZTMLSA-N 391.541 1.783 0 50 GDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4ccccc4)CN3C2=O)cc1 14537451 DAOOWNIRTARLTN-IHPCNDPISA-N 379.460 1.495 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NC3CCCCC3)C2=O)cc1OC 206244180 ANQLDTJHXXKIAV-OAHLLOKOSA-N 389.452 1.963 0 50 GDAA O=C(c1n[nH]c2c1COCC2)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857673191 KZLRTYCCUZAFST-HXUWFJFHSA-N 382.420 1.372 0 50 GDAA CN1CC2(C1)CN(C(=O)Cn1nc(Cc3ccccc3)c3ccccc3c1=O)C2 1857680761 UQADALHLNHGZJZ-UHFFFAOYSA-N 388.471 1.761 0 50 GDAA CCc1oc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1CN1CCCC1 1857694190 DJIFBKQYBOQJOH-SQNIBIBYSA-N 391.512 1.392 0 50 GDAA CCOc1ccc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1 1857714692 HOTNOCNDONMQOY-FPOVZHCZSA-N 386.496 1.892 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)cc(S(N)(=O)=O)c1C 1857712910 OAGHAKLHKWOSAX-NXHRZFHOSA-N 391.537 1.897 0 50 GDAA CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cn4ccccc4n3)[C@H]3CC[C@]2(C1)O3 1857715828 KHJWCNZTNHNXHM-GYQJYAJYSA-N 382.464 1.870 0 50 GDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC([C@H](O)CN4CCCC4)CC3)c12 1857730371 OCEXOVGYMJOFHI-MRXNPFEDSA-N 387.484 1.648 0 50 GDAA Cn1cccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857734577 VMOUKPLSCAMLJR-UHFFFAOYSA-N 397.479 1.478 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c(OC)c1 1857738441 HTSPLZOBWVWYIS-UHFFFAOYSA-N 384.436 1.732 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[C@H]1NC(=O)COc1ccccc1 1875242814 CSUDZYYTZDCFFV-CGTJXYLNSA-N 377.485 1.043 0 50 GDAA CCn1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1C(F)(F)F 484469221 SCEJEWZRQGWMOV-JTQLQIEISA-N 397.423 1.810 0 50 GDAA CN(C(=O)CN1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1)C1CCCCC1 366805838 RCMMDIPZVQRUCN-MRXNPFEDSA-N 387.528 1.450 0 50 GDAA CN(C)C(=O)NC1CCN(C(=O)c2nn(-c3ccccc3F)cc2O)CC1 827869212 NFHIBANIEGNWEL-UHFFFAOYSA-N 375.404 1.593 0 50 GDAA COC(=O)[C@H](CNC(=O)[C@](C)(O)c1ccc(F)cc1)Oc1ccc(F)cc1 935121035 YKPYKONPOQBEPT-QFBILLFUSA-N 379.359 1.909 0 50 GDAA CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 12374142 SLBLBTGFJFZWBX-UHFFFAOYSA-N 395.463 1.700 0 50 GDAA Cc1cc(C)n(-c2ccc(-c3noc(-c4nn(C)c5c4CNCC5)n3)cn2)n1 2325777293 TVFFANHUJQFTDS-UHFFFAOYSA-N 376.424 1.980 0 50 GDAA CO[C@]1(CN)C[C@H](C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C1 2325778604 GCUZVRHJLRTDLU-ZFDALGJYSA-N 375.513 1.666 0 50 GDAA O=C(O)c1cn([C@@H]2CCCC[C@@H]2NS(=O)(=O)Cc2cccc(F)c2)nn1 2325875461 SNNZGTDYBUSWNC-DZGCQCFKSA-N 382.417 1.719 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CC3(CN(C(=O)C4CCOCC4)C3)n3ccnc32)oc1C 2332237929 QXEIKHJJLWBFLH-MRXNPFEDSA-N 398.463 1.932 0 50 GDAA O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1)N1CCOCC1 222038166 ARRVTYCAEZIPNU-NJAFHUGGSA-N 378.494 1.867 0 50 GDAA Cc1nn(C)cc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55197737 KXTDSPXIJWEWFE-GOSISDBHSA-N 387.459 1.217 0 50 GDAA C[C@@]1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC(=O)N=C2C=CC=CN21 170575202 ZLBFJZROHLGPLB-KKSFZXQISA-N 392.415 1.753 0 50 GDAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55343996 WLJONHJTMWLRRO-KRWDZBQOSA-N 383.439 1.587 0 50 GDAA COC(=O)CNC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409414949 ZQRMDYULTCYQSN-MRXNPFEDSA-N 381.388 1.175 0 50 GDAA O=C(CN1C(=O)CNC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67755287 LSDVFHNUPAYGCI-UHFFFAOYSA-N 376.319 1.320 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 65364449 NLYBDEGBCIESJA-UHFFFAOYSA-N 398.492 1.736 0 50 GDAA CN(C)c1nc(N)cc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71767640 KDICSBRAXQDHJK-UHFFFAOYSA-N 394.483 1.442 0 50 GDAA NC(=O)C1(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3=O)C2)CC1 72164337 DNOXXUNMFQUAFT-OAQYLSRUSA-N 383.492 1.726 0 50 GDAA O=C1CCCCN1CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215074769 QRVQHDAIEZGIDC-UHFFFAOYSA-N 379.482 1.213 0 50 GDAA Cc1nn(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)c(C)c1CCC(=O)O 262390384 AGNWKBRZUZWBNI-KRWDZBQOSA-N 384.436 1.515 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 328629281 ICNATLDEYULHSB-BMFAXAFESA-N 376.501 2.476 0 50 GDAA O=S(=O)(c1cccc(F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530852 CCJCPLBVIAHKAU-UHFFFAOYSA-N 391.472 1.727 0 50 GDAA Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(C)[nH]1 72447975 AIUKFEQZEPLRAT-SFHVURJKSA-N 387.455 1.840 0 50 GDAA Cc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n(C)c2c(C)cccc12 216261270 MZRNOEWZIXMRNU-UHFFFAOYSA-N 378.498 1.359 0 50 GDAA Cc1c(C(=O)N2CC[C@@H](N3CCNCC3)C2)nnn1-c1cccc2ncccc12 262075605 PVSTWNPUEUDFAC-MRXNPFEDSA-N 391.479 1.244 0 50 GDAA CCN(CC)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 174152130 ZKZOACMLAZLZCC-KRWDZBQOSA-N 394.541 1.425 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 20271457 IXVKCMMPWWHVGN-OAQYLSRUSA-N 398.551 1.924 0 50 GDAA O=C(N1CCN(S(=O)(=O)c2cccnc2)CC1)C1(Cc2ccccc2)CC1 176937180 AYHDWWAFRROKSB-UHFFFAOYSA-N 385.489 1.937 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)cc1 426667431 JAAWWLUFCKOICE-MRXNPFEDSA-N 388.493 1.800 0 50 GDAA CC(C)CCN1C[C@]2(CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)CCC1=O 91643634 QOWNFYXESRQRQA-HXUWFJFHSA-N 392.500 1.158 0 50 GDAA Cc1nc(CN2C[C@@H](CO)C[C@H](CN3CCCN(C)CC3)C2)c2ccccn12 91439970 ZULWZMUCXZHHTA-UXHICEINSA-N 385.556 1.711 0 50 GDAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1ccnn1Cc1cccs1 95522944 JNIAKFCAJIXVDI-UHFFFAOYSA-N 383.499 1.540 0 50 GDAA COCCN1CC2(CCC1=O)CCN(Cc1nc(C(F)(F)F)no1)CC2 91988169 NHPVGBWFXQHREA-UHFFFAOYSA-N 376.379 1.939 0 50 GDAA CS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426494312 DVSDPZWUXPIYKC-MPGHIAIKSA-N 380.466 1.033 0 50 GDAA O=C(CN1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1)N1CCCCC1 95369823 PCBQBOXJDVZOJR-GOSISDBHSA-N 379.888 1.530 0 50 GDAA CCc1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)ccn1 91830083 HCHOVWOOGVQBNQ-AEFFLSMTSA-N 375.469 1.672 0 50 GDAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 91769693 QBEBVUAUCQGHLT-OAHLLOKOSA-N 389.500 1.568 0 50 GDAA O=S(=O)(N1CCCC1)N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95524843 RMMFESKYYWYMEH-KRWDZBQOSA-N 379.526 1.586 0 50 GDAA O=C(NCc1ccc(-c2ccccc2)o1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 96141147 NXFLXCQDRZMOBR-QZTJIDSGSA-N 397.475 1.647 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)CCn1c(C)cccc1=O)CC2 534673735 WTUNKFGNLMGLTI-FUHIMQAGSA-N 375.469 1.222 0 50 GDAA Cc1c(C(=O)N2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)ccn1C 828202212 HGEIHGGVZNUWHS-UHFFFAOYSA-N 383.452 1.271 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCN1CCCC[C@@H]1CO 670437491 HSIXUIBZVBTJSE-GOSISDBHSA-N 392.525 1.614 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CCc1c(C)nc3ncnn3c1C)C2 1073298706 SIDOPTGDJQMSNP-IRXDYDNUSA-N 386.500 1.243 0 50 GDAA NC(=O)c1noc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)n1 1565510197 DSGHBQSUKLBHCO-CVEARBPZSA-N 383.452 1.224 0 50 GDAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704311746 BHWOYCKPYZROJJ-JKSUJKDBSA-N 386.452 1.285 0 50 GDAA CN1CCN(Cc2ccc(N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)nc2)CC1 1704299785 TWXHGRSQUJDQRF-NQIIRXRSSA-N 387.528 1.204 0 50 GDAA O=C(Cc1cccnc1)NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1704297232 QQFXETHLPRHMGX-TVKQPGBESA-N 383.427 1.353 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772811787 ZBTHMFXPINUATL-VFNWGFHPSA-N 396.447 1.769 0 50 GDAA Cn1c(=O)n(C)c2cc(CNC(=O)c3cn(CCc4ccccc4)nn3)ccc21 11774676 XDYIDKKJRMSIPH-UHFFFAOYSA-N 390.447 1.641 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCOCC2)c1 12715728 JUEDMNLRLFUTRL-GOSISDBHSA-N 375.469 1.023 0 50 GDAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1Cc3ccccc3O1)CC2 14732399 OKJXTPFQKBHITL-LJQANCHMSA-N 394.475 1.931 0 50 GDAA 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CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)OCC)CC2)cc1 2878026 SWTFJOYCXCLLFR-UHFFFAOYSA-N 397.497 1.218 0 50 GDAA CC(C)(C)n1nc(CC(N)=O)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100483470 WMIJYKPHEXGQPA-MSOLQXFVSA-N 398.467 1.260 0 50 GDAA O=C(CCc1cccnc1)N[C@@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@H]1O 2100555535 VPJGZTRFOWWYTK-QXAKKESOSA-N 382.464 1.024 0 50 GDAA O=C(NC1CC2(CCNCC2)C1)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325778229 KNRYKRJBOYLQMN-CQSZACIVSA-N 389.471 1.886 0 50 GDAA NC1CCN(C(=O)c2cnc(=NCCc3ccc4ncsc4c3)[nH]c2)CC1 2325809729 CNCDHOCSPNHGBU-UHFFFAOYSA-N 382.493 1.726 0 50 GDAA CN1C(=O)C(C)(C)c2cc(-c3nc(Cn4cncn4)nn3[C@@H]3CCOC3)ccc21 2325872915 RNNLXYZXRKIYFQ-CQSZACIVSA-N 393.451 1.800 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2(C)C)cc1 2325890197 VAGYAOVTLMTAHK-UHFFFAOYSA-N 379.482 1.331 0 50 GDAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccc(-c4cncc5nc[nH]c45)cc3)C[C@@H]21 2356140403 HSFHMXBVBXSQAL-ROUUACIJSA-N 391.431 1.697 0 50 GDAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)CCCS(N)(=O)=O)C2=O)cc1 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CN(C)c1nccc([C@@H]2CN(C(=O)c3cnn(-c4ccc(F)cc4)n3)CCO2)n1 369596503 UGHQAFGJVHKZRI-KRWDZBQOSA-N 397.414 1.476 0 50 GDAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 370839353 HTBWTLFDWKCLBY-NFBGKYEXSA-N 392.459 1.658 0 50 GDAA Cc1cnc2c(C(=O)N3CCC4(CC3)c3ccccc3[C@@H](N)[C@@H]4O)cnn2c1 72143536 DSEINVANMWOANL-MSOLQXFVSA-N 377.448 1.586 0 50 GDAA CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2nccc(OC)n2)CC1 375587697 LLVRBIBMYRFPGT-MRXNPFEDSA-N 389.500 1.609 0 50 GDAA CCOc1ccc(CN(CCOC)C(=O)[C@@H]2CC3(CCNCC3)CN2)cc1 72142091 IZJAHIACUXJLLN-IBGZPJMESA-N 375.513 1.792 0 50 GDAA Cn1ncc(N2CC[C@H](CNC(=O)C3=Cc4ccccc4OC=C3)C2)cc1=O 77440236 BALYZKGSSKFADR-OAHLLOKOSA-N 378.432 1.713 0 50 GDAA Cc1cc(N2CCC(NC(=O)NCc3nnc4n3CCCCC4)CC2)nc(C)n1 175603597 HBMGOUBXZOWBNY-UHFFFAOYSA-N 398.515 1.880 0 50 GDAA COc1ccccc1N1C[C@@H](C)N(C(=O)Cn2nc(C)c(C(C)=O)c2C)CC1=O 82157277 UDZMCFQEEQREHF-CYBMUJFWSA-N 398.463 1.975 0 50 GDAA Cc1cc(NC(=O)CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1 292381258 HJJJNOCRTQJDCB-UHFFFAOYSA-N 382.428 1.218 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1CCc1c[nH]cn1 82115872 RHYCXVHMCUXUBK-HXUWFJFHSA-N 383.452 1.186 0 50 GDAA COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 22147024 NYRBOWGJJQQEOK-INIZCTEOSA-N 386.448 1.986 0 50 GDAA O=C(NCCCn1nnc2ccccc21)[C@H]1CC(=O)N(Cc2ccccn2)C1 92028132 ODUKYEABFFZHOF-HNNXBMFYSA-N 378.436 1.381 0 50 GDAA Cc1c(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)nn1C 91656415 ZLZQNADHVAPYPP-QWHCGFSZSA-N 388.859 1.549 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N(C)Cc2n[nH]c3c2CCCC3)c1 97572188 RMJXXUKULIFRTB-UHFFFAOYSA-N 377.470 1.861 0 50 GDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(OC)cc1)CCN2C 91818148 KLXAWTNFXPXTFH-NRFANRHFSA-N 375.513 1.840 0 50 GDAA O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@@H](c1cccnc1)N1CCCC1 95378856 WWSKFQUEKAQTON-LJQANCHMSA-N 377.448 1.814 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(CCN4CCCC4=O)C3)CCC2=O)cn1 91587311 NLIXJIJFMATIRK-NRFANRHFSA-N 385.512 1.612 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCC(Oc4cccnc4)CC3)n2C)C1 244874235 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NGZYAJYQPOXYGF-IHRRRGAJSA-N 382.247 1.697 0 50 GDAA COc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c2ccccc2n1 19218290 MBTHKXPNZLHQCS-RTBURBONSA-N 384.480 1.066 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)NCCS(=O)(=O)c1ccc(F)cc1 164702786 NINUAXJQTXJXMT-UHFFFAOYSA-N 378.381 1.324 0 50 GDAA COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1OC 1857706614 WVXVXVXREGGZRN-OALUTQOASA-N 388.468 1.581 0 50 GDAA Cc1ncc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cn1 1857717061 LRZMLEFAJJWKHD-OALUTQOASA-N 383.452 1.095 0 50 GDAA C[C@H]1CN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CCN1 237616169 FRRMMCILOCXIET-RYUDHWBXSA-N 389.315 1.679 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnoc1-c1ccccc1)C2 247533867 PVJJBOPLMBFUAI-HIFRSBDPSA-N 375.450 1.838 0 50 GDAA CCN(C)[C@@H](C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1)c1ccccc1 252480640 CBSLBVCHFBYAIP-FUHWJXTLSA-N 377.485 1.060 0 50 GDAA CNS(=O)(=O)c1ccc(N2CCC3(CC2)C[C@@H]3C(=O)N(C)C2CC2)c(F)c1 375014119 SNHMIDOZPUHROG-OAHLLOKOSA-N 395.500 1.961 0 50 GDAA NC(=O)[C@H]1CN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCO1 265404788 BLVOMKYGSICHOA-CQSZACIVSA-N 387.396 1.244 0 50 GDAA O=C(O)[C@@H]1CSCCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 910157565 QRQQAKPUJHRGCU-ITDIGPHOSA-N 393.383 1.074 0 50 GDAA COC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)c(C)n23)n(C)c1=O 4250754 XYNISFAPAFKUOP-UHFFFAOYSA-N 395.419 1.237 0 50 GDAA CC1(C)CN2C[C@H]1NC(=O)[C@@]1(CC=CCOc3ccccc3C2=O)CCNC1 2325894034 OTWGITDWWHDTGP-GCJKJVERSA-N 383.492 1.972 0 50 GDAA CC(=O)[C@H](C)n1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 808455 YQSMFRPZJFHWTK-ZDUSSCGKSA-N 383.452 1.216 0 50 GDAA NC(=O)C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1NC(=O)CCc1ccccc1 1070075 IFFFQOURWPZGNJ-MRXNPFEDSA-N 398.394 1.502 0 50 GDAA CNC(=O)c1[nH]cnc1-c1nnc2n1[C@H](C)C(=O)N(CCc1ccccc1)C2 2356137753 XZKMUHYMVPAITF-GFCCVEGCSA-N 379.424 1.174 0 50 GDAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3c(C)cnn3C)C2)[C@@H]2CCCC(=O)N12 2356159322 VUOPEMOTONUHNQ-YVSFHVDLSA-N 394.541 1.919 0 50 GDAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6208400 DKKZVFAQBNSRSY-HNNXBMFYSA-N 377.441 1.938 0 50 GDAA COc1ccc(Cc2noc(-c3cc(S(N)(=O)=O)oc3C)n2)cc1OC 225405099 CPAQZEHXDAGXKB-UHFFFAOYSA-N 379.394 1.893 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 20654117 OASUANKVYQUSDP-SFHVURJKSA-N 388.468 1.114 0 50 GDAA O=C(NCCCN1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 28030289 OSUOCNSFAICPOF-UHFFFAOYSA-N 395.525 1.313 0 50 GDAA CCN(CC)CCNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67919797 ZJVDFKMYMOEBTK-MRXNPFEDSA-N 376.501 1.434 0 50 GDAA Cc1nn(-c2ccccc2)nc1CNC(=O)Cn1ncc(N2CCCC2)cc1=O 23429678 WWZVYVRGMLMTIE-UHFFFAOYSA-N 393.451 1.049 0 50 GDAA CC(C)c1noc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)n1 72145275 VYONWNBMAXJUDN-AWEZNQCLSA-N 375.429 1.135 0 50 GDAA C[C@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCc3cccs3)cc2C1 77375459 IUUIYOLAAJXLCY-LBPRGKRZSA-N 380.491 1.492 0 50 GDAA COc1cccc(CN2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1OC 72406947 ONICNTLMSCMLDQ-SJORKVTESA-N 380.510 1.397 0 50 GDAA CCCN1CCN(Cc2cnc(-c3ccccn3)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72433057 HIZSBNWTJBJZMD-MSOLQXFVSA-N 387.509 1.232 0 50 GDAA O=C1NCCc2ccc(S(=O)(=O)N3CCc4c(F)cc(F)cc4C3)cc21 123689397 RQERWZNTOOVBHT-UHFFFAOYSA-N 378.400 1.998 0 50 GDAA C[C@H](C(=O)N1CCOc2ccc(-c3ccc(C(N)=O)s3)cc21)S(C)(=O)=O 363439608 JWVUPVJBNOZJCH-SNVBAGLBSA-N 394.474 1.673 0 50 GDAA CCc1nc(N2CCn3nc(CN4CC[C@H](NC(C)=O)C4)cc3C2)ncc1C 72477078 WMIZPFPQEZYWAI-INIZCTEOSA-N 383.500 1.275 0 50 GDAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 218040132 WTKKSJLRSFIKEK-JTQLQIEISA-N 377.349 1.276 0 50 GDAA biogenic COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 363792787 OADZFDXGAFOZPP-MSOLQXFVSA-N 375.469 1.185 0 50 GDAA Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N2CCCC2)ncn1 72437584 AYIKBFCXYWZNNF-UHFFFAOYSA-N 379.461 1.915 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN(C)C)C3)C2=O)c1OC 72130790 BGVOKJUVMJOZBL-NRFANRHFSA-N 389.496 1.607 0 50 GDAA O=C(Cn1ccc(Cl)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 170605451 RBVMLPSPNRYQJA-UHFFFAOYSA-N 386.836 1.209 0 50 GDAA O=C(CCc1nc(-c2ccco2)no1)NCCc1nc(-c2cccnc2)n[nH]1 219802424 OQSLQEIHYHSOJJ-UHFFFAOYSA-N 379.380 1.801 0 50 GDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)COc3cccnc3)CC2)C1 71759117 WGRVFIJMTUXUQX-INIZCTEOSA-N 386.496 1.442 0 50 GDAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1cccc(N2N=C(C)[C@@](O)(CC)C2=O)c1 220313727 YRPONWNRAIDBEF-IERDGZPVSA-N 386.496 1.964 0 50 GDAA COc1ccccc1CN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCC1 426705936 WXTRWQBHKKEQKR-MRXNPFEDSA-N 398.463 1.581 0 50 GDAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCc1nnc2n1CCCC2 160894216 SVJSATBHPALNFG-UHFFFAOYSA-N 389.481 1.393 0 50 GDAA O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H](c1cccnc1)N1CCOCC1 95388547 ICDPIMSTLPTDQM-OAQYLSRUSA-N 395.507 1.631 0 50 GDAA O=C(NC[C@H](O)c1ccccc1F)c1cccc(N2CCCS2(=O)=O)c1 175537901 WMPKPOFMFUYZSU-KRWDZBQOSA-N 378.425 1.829 0 50 GDAA CCOC1CC2(CCN(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)C1 286582957 RMYHEDOBIUCMLQ-UHFFFAOYSA-N 387.528 1.934 0 50 GDAA COc1cccc(CN2C[C@@H](C(=O)NCC3(O)CCN(C)CC3)CCC2=O)c1 91987834 JIJUAOINUMJNMP-KRWDZBQOSA-N 389.496 1.007 0 50 GDAA COCCn1ccnc1C1CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1 95521805 AAKLRZOUDDOVHL-UHFFFAOYSA-N 381.440 1.525 0 50 GDAA COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cc1Br 237208405 JHPSEOGQWRTART-KOLCDFICSA-N 393.303 1.872 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)ccc21 177002994 JEYLJRKDCVDNPI-HNNXBMFYSA-N 375.454 1.309 0 50 GDAA CCCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 95513366 ORJHGGNMNRHUFN-UHFFFAOYSA-N 383.514 1.866 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1c(F)cc(F)cc1F)C2 91486871 GTYQCDMVNPHNSG-UHFFFAOYSA-N 382.386 1.969 0 50 GDAA CN(C)c1nsc(N2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)n1 95379310 CFEJVEZKXQGHMR-KSSFIOAISA-N 379.530 1.584 0 50 GDAA COc1ccc(CN2CCC(F)CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95530989 ICERPRLKQKQKPT-IBGZPJMESA-N 395.519 1.616 0 50 GDAA C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cn1ncn(C)c1=O 294004511 ZCCMOWKCPPBVGO-SMDDNHRTSA-N 384.358 1.589 0 50 GDAA Cc1cc(NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)cn2ccnc12 297085844 VGVALULCIXDDLI-AWEZNQCLSA-N 381.440 1.527 0 50 GDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)N[C@H](CO)Cc1ccccc1 275906355 RSTWYBLPPLSRDD-DFGXFYAUSA-N 377.510 1.432 0 50 GDAA O=C(NCCc1nc(-c2ccccn2)no1)C1(N2CCOCC2)CCCCC1 670443579 OFRNTAJWTVNCIR-UHFFFAOYSA-N 385.468 1.825 0 50 GDAA C[C@H]1CCCCN1CC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952971740 XQXWTEDKBNKEIW-INIZCTEOSA-N 375.469 1.737 0 50 GDAA CN(C)C(=O)CN1CCCN(C(=O)C2CCN(C(=O)C3CCCC3)CC2)CC1 952974926 KRRIJHVZYWAVNQ-UHFFFAOYSA-N 392.544 1.038 0 50 GDAA O=C(N[C@H](Cc1nn[nH]n1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95836203 MZBYOFZABYTSQS-MRXNPFEDSA-N 379.376 1.734 0 50 GDAA in-vitro CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 189891509 JHTGSXGKNKKINU-YLJYHZDGSA-N 378.432 1.623 0 50 GDAA COc1cc(C(=O)N2CCCN(Cc3cc(=O)n4ccsc4n3)CC2)ccn1 1529110421 NNPYCJGYNPQHSG-UHFFFAOYSA-N 399.476 1.508 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(F)cc1Cl)C2 216219749 PIIOGENQDQCGCN-YPMHNXCESA-N 381.835 1.630 0 50 GDAA CC(C)(C(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1)N1CCOCC1 1704278214 GOHLRDMZNAKLLM-YLJYHZDGSA-N 383.492 1.707 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@]2(CCc2ccccc2)C1 1775978956 RHGDDQIVTBOJHY-HKUYNNGSSA-N 388.493 1.376 0 50 GDAA CN(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 12448553 YXYYWVSOTZINOW-HXUWFJFHSA-N 380.492 1.863 0 50 GDAA CCCn1nc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)ccc1=O 16647779 KNLHCHUIEZZXGA-UHFFFAOYSA-N 389.460 1.678 0 50 GDAA COc1ccccc1CCC(=O)N1CCC([C@H](O)CN2CCOCC2)CC1 1857720377 QYSNXBQTHYPPRH-LJQANCHMSA-N 376.497 1.560 0 50 GDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c2)n1 1857724035 JCXNZXVGMUPKSQ-NQIIRXRSSA-N 380.448 1.722 0 50 GDAA O[C@H]1CN(c2ncnc3nc[nH]c23)CC[C@@H]1N1CCN(c2ccccc2F)CC1 216603164 AMBRFQQNMDUQII-IRXDYDNUSA-N 397.458 1.254 0 50 GDAA Cn1nccc1N1CCC[C@@H](N(Cc2cccc(F)c2)S(C)(=O)=O)C1=O 328614110 VIEQHJNKWHJVJJ-OAHLLOKOSA-N 380.445 1.516 0 50 GDAA O=C(c1ccc(F)c(F)c1)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247359836 DRUBWNUQJLHOEZ-DJJJIMSYSA-N 378.375 1.750 0 50 GDAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCO[C@H](CC(=O)O)C3)c2C)n1 262745476 JTHAFRRCXUGHBF-OAHLLOKOSA-N 387.440 1.141 0 50 GDAA Cc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c(C)cc1Br 265250540 ATAISSUGGARCFJ-CYBMUJFWSA-N 390.347 1.590 0 50 GDAA Cn1ncc2c(O)cc(C(=O)N3CCCN(C(=O)c4cccnc4O)CC3)cc21 1875264489 QNZSACFDJXIPQJ-UHFFFAOYSA-N 395.419 1.368 0 50 GDAA CC(=O)NCC12CC(C(=O)NCC[C@]3(C)CC3(F)F)(C1)C1(CCNCC1)O2 1875393052 FARBHFIGOGUGHO-KLAILNCOSA-N 385.455 1.346 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cccs4)CC3)[C@@H]2C1 1775961826 CLJILLYVIFFNQQ-KGLIPLIRSA-N 377.466 1.794 0 50 GDAA CCOCCN1C(=O)N[C@H]2c3cc(C)ccc3O[C@@]13CCCS(=O)(=O)[C@@H]23 1776005882 OIDSWJJDQFFDES-XYJFISCASA-N 380.466 1.764 0 50 GDAA O=C(Cc1cccnc1)Nc1ccc(C(=O)N2CCNC(=O)C23CCC3)cc1 2325766637 KYDRZFNLIHBCCU-UHFFFAOYSA-N 378.432 1.758 0 50 GDAA Cc1ccccc1-n1c(C)nnc1Sc1ccc(C(=O)N2CCNCC2)nn1 2325792993 AYTWBCONDDMVBU-UHFFFAOYSA-N 395.492 1.871 0 50 GDAA CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 2386963 UWVKRNOCDUPIDM-UHFFFAOYSA-N 398.397 1.338 0 50 GDAA in-vitro COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cc1 2356148807 UECQCAJUCQQRCO-GOEBONIOSA-N 396.447 1.768 0 50 GDAA COC(=O)CN(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 59299992 QHERIIBCFVILRZ-UHFFFAOYSA-N 390.415 1.381 0 50 GDAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)s1 23251353 JXPAZDMUCWPINO-AWEZNQCLSA-N 382.449 1.729 0 50 GDAA C[C@H]1CN(C[C@H]2CCCN2CC(=O)NC(=O)NCc2ccco2)C[C@@H](C)O1 229655726 HEBXPVCHCPGYSM-OWCLPIDISA-N 378.473 1.179 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cnsn3)C2)cc1 12576050 ODAPUABUVIDWAL-GFCCVEGCSA-N 396.494 1.377 0 50 GDAA CNC[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 237341558 MSQCLYAGOUEGRG-MSOLQXFVSA-N 393.553 1.854 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1 215827596 XUMKXVIYCUIGMW-OAHLLOKOSA-N 379.482 1.164 0 50 GDAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(C)nc1-c1cccc(Cl)c1 39518371 OJEDOMQXPCCLEB-OAHLLOKOSA-N 376.844 1.604 0 50 GDAA Cc1ccc2c(=O)cc(C(=O)NCc3cc(N4CCOCC4)ncn3)oc2c1 72479335 IOGBBUCPJNLEHA-UHFFFAOYSA-N 380.404 1.658 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)CC2)c1 77284654 XSRSMQSTMHCMLC-AWEZNQCLSA-N 385.468 1.524 0 50 GDAA COCC(=O)Nn1ccc2c(cnc3c(-c4ccccc4)c(COC)nn32)c1=O 40396511 ZLCSFGKDJJWBQE-UHFFFAOYSA-N 393.403 1.574 0 50 GDAA Cc1nn(C)c(C)c1CCNC(=O)Nc1ccccc1N(C)S(C)(=O)=O 176690273 KIJHEYIMRGSDPX-UHFFFAOYSA-N 379.486 1.797 0 50 GDAA COc1cccc(N2C[C@@H](Cc3ccccc3)N(C(=O)CNC(N)=O)CC2=O)c1 82108510 WIFLFUHGUNBBBL-QGZVFWFLSA-N 396.447 1.150 0 50 GDAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2cccc(-c3ncccc3N)c2)C1 426395944 LRHFONWCDCVIPX-KRWDZBQOSA-N 381.480 1.648 0 50 GDAA CCc1cc(N2CCC(N3CCSCC3)CC2)nc(N2CCOCC2)n1 95511032 WGRRPCFJRXFACV-UHFFFAOYSA-N 377.558 1.893 0 50 GDAA O=C(NCc1ccc(-c2ncon2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 426547739 ZNOXDAZTMPWGGB-QGZVFWFLSA-N 375.392 1.823 0 50 GDAA CC(C)c1nc2cc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)ccc2o1 95524084 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952895627 YTKQVKMGQFUWHY-ZDUSSCGKSA-N 399.567 1.648 0 50 GDAA C[C@@H](N[C@H]1CCS(=O)(=O)C2(CC(CO)C2)C1)c1ccc(-n2cncn2)nc1 1875357226 XOHFAPUKFJXELB-KDWRMLKXSA-N 391.497 1.031 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)C1(n2ccnn2)CC1 1875402555 HCBHZEJUBXQANQ-KBAYOESNSA-N 392.463 1.587 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CN(C)S(=O)(=O)c2ccsc21 952971054 REGALXONIPCAHS-ZDUSSCGKSA-N 382.511 1.523 0 50 GDAA Cc1ncsc1CCC(=O)NCC1CCN(C(=O)[C@@H](C)n2cncn2)CC1 952963312 GSPQGNVHNCMSSF-CQSZACIVSA-N 390.513 1.592 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CCCn2cncn2)C3)cc1 952990421 VEQAGJIFJMFOIK-UHFFFAOYSA-N 378.436 1.990 0 50 GDAA CCCCOCC(=O)NCC1(COC)CCN(C(=O)CCc2cnc[nH]2)CC1 1775989158 FOZHGJPXKBHBTA-UHFFFAOYSA-N 394.516 1.530 0 50 GDAA CC(C)[C@H](C)CC(=O)N1CCO[C@](C)(CNC(=O)CNC(=O)N2CCCC2)C1 1775990419 AXPAIHANLSDNGU-OXQOHEQNSA-N 396.532 1.208 0 50 GDAA Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 273857943 YXZBEEJMICNMPC-CYBMUJFWSA-N 397.428 1.647 0 50 GDAA 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384.480 1.011 0 50 GDAA Cn1ncc(N2CC[C@@H](CNC(=O)COc3ccc(Cl)cc3)C2)cc1=O 77285875 VKRNWDDXIRVIGI-ZDUSSCGKSA-N 376.844 1.455 0 50 GDAA COCCN(C)C(=O)Cn1c(-c2ccccc2)nn(-c2ccc(OC)cc2)c1=O 77286237 OODUDGGUSJUSRV-UHFFFAOYSA-N 396.447 1.814 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)CN1CCc1c[nH]cn1 82096181 ZGQNLBIBLNLWFW-NRFANRHFSA-N 381.480 1.821 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)Cc3ccc(-n4cnnn4)cc3)cc2C1 91550560 IIMWBHDZNLSMCL-UHFFFAOYSA-N 394.483 1.189 0 50 GDAA Cc1nnnn1CCCN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 91593473 RXHPZMQKTOSTCF-HXUWFJFHSA-N 383.500 1.671 0 50 GDAA Cc1ncc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)c(C)n1 92022550 MDJKRLJQKWKXBG-UHFFFAOYSA-N 382.468 1.752 0 50 GDAA Cc1nc(CNC(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)n[nH]1 95505548 LAAHSNCTLWIGQT-UHFFFAOYSA-N 383.452 1.823 0 50 GDAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 95525097 HOLOXJGYBRCLDP-JOCHJYFZSA-N 398.507 1.958 0 50 GDAA CC(C)(C(=O)O)c1cnc(NCC2(O)CCCCC2)nc1N1CCOCC1 96140122 IYUMEXDMYXMEGJ-UHFFFAOYSA-N 378.473 1.783 0 50 GDAA CCc1ncc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1 96149398 GOJLOXNEJUOZCC-UHFFFAOYSA-N 385.516 1.379 0 50 GDAA O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cccc(OC(F)(F)F)c1 123661143 VMCSXRXNRNSBGC-CYBMUJFWSA-N 380.388 1.727 0 50 GDAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 170616458 QMZSACCPDYKBFG-NSHDSACASA-N 396.362 1.255 0 50 GDAA O=C(NCC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc2ccccc2c1 170658073 UTKUGZXHJBGPSJ-QGZVFWFLSA-N 381.476 1.750 0 50 GDAA O=C(CN1CCN(Cc2ccon2)CC1)Nc1ccc(N2CCCCC2)nc1 173623784 CMGCOYORXKXOGY-UHFFFAOYSA-N 384.484 1.816 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc(C)n3)C2=O)cc1 206242961 DVSWDNNJAPYGSD-MRXNPFEDSA-N 382.420 1.890 0 50 GDAA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccn3)c2)C1 216081705 NFLILPSGJZPCNL-MRXNPFEDSA-N 375.450 1.421 0 50 GDAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)COc1ccc(Cl)c(Cl)c1 219555056 DVUSEWKXUFKPSY-OLZOCXBDSA-N 378.208 1.747 0 50 GDAA O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cn(C2CCNCC2)nn1 238119566 DLLNHCIFQFIZEE-OAHLLOKOSA-N 384.267 1.973 0 50 GDAA CCc1cc(N2CCN(CCC(=O)Nc3nnc(CC)s3)CC2)ncn1 244852611 UVRFRTHUQLKJTJ-UHFFFAOYSA-N 375.502 1.604 0 50 GDAA COCCn1nnnc1[C@H]1CN(Cc2cncn2C2CCCCC2)CCO1 252481601 COYYFJHRVKFKLS-QGZVFWFLSA-N 375.477 1.595 0 50 GDAA O=C(O)C[C@H](NS(=O)(=O)N1CCOCC1)c1cccc(Br)c1 268795076 WKMVKWSTHBZNAF-LBPRGKRZSA-N 393.259 1.132 0 50 GDAA NC(=O)N[C@H](CO)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 270788923 LNJDVJXXGHYHCN-NEPJUHHUSA-N 380.203 1.062 0 50 GDAA Cc1c(C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)cnn1-c1ccccc1 276533334 RCKSZFBIRPGSOJ-QGZVFWFLSA-N 391.479 1.899 0 50 GDAA Cc1ncsc1CCC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299766473 OKNDJAVLDURMED-UHFFFAOYSA-N 375.498 1.895 0 50 GDAA CN(C)c1ccc(-c2cccc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)c2)cc1 299774670 FTSYRYSIVWUQHF-FQEVSTJZSA-N 378.476 1.676 0 50 GDAA Nc1c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)ncnc1-n1cccn1 301786813 PQVOOWONVVBJQL-UHFFFAOYSA-N 385.378 1.485 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)NCc3ccnc(-n4cccn4)c3)cc21 363169366 PKRPNGANNMJOQA-UHFFFAOYSA-N 378.392 1.944 0 50 GDAA Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(F)cc4nc[nH]c34)no2)cn1 374837675 JRMJUYVETJDUSK-AWEZNQCLSA-N 397.370 1.699 0 50 GDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2nnnn2-c2ccccc2)c1 426370630 SJIDIGSYMTZHAR-CQSZACIVSA-N 378.436 1.926 0 50 GDAA CN1CC2(CCN(C(=O)c3cc(Cl)ccc3OCCN)CC2)OCC1=O 426518798 NNFWBPOMCCCOSL-UHFFFAOYSA-N 381.860 1.141 0 50 GDAA C[C@H](Cn1cncn1)NC(=O)c1cccc(-c2cccc(C(=O)N(C)C)n2)c1 584900227 OEQGINXPCCDAIC-CQSZACIVSA-N 378.436 1.860 0 50 GDAA O=S(=O)(c1cnn2c1OCCC2)N1CCN(c2ccncc2Cl)CC1 886071889 OGHQMEPVDGVLNY-UHFFFAOYSA-N 383.861 1.225 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccc(N2CCN(C)CC2)cc1 952869124 DEUIGUCLZRRHEA-UHFFFAOYSA-N 393.451 1.675 0 50 GDAA Cn1cnnc1SCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 952966219 FEBRLIHCYOBNEU-CYBMUJFWSA-N 385.453 1.758 0 50 GDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCN(c2ncccc2C(N)=O)CC1 1506396271 JNQSUODNIXTIJD-UHFFFAOYSA-N 385.468 1.492 0 50 GDAA COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1OC 1529154274 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C[C@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)CCNS(C)(=O)=O 55413618 OVAIJSRPPIOFMI-LBPRGKRZSA-N 382.486 1.042 0 50 GDAA CC(CO)(CO)Nc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cn1 67983022 ILCKLAWMSQKXPJ-HNNXBMFYSA-N 387.436 1.197 0 50 GDAA O=C1N=C(O)[C@H]2CN(C(=O)c3coc(COc4ccc5c(c4)OCO5)n3)C[C@@H]12 67820136 XWQMACJJFWOKBY-PHIMTYICSA-N 385.332 1.167 0 50 GDAA Cn1nc([C@H]2CCCN(c3ncnc4[nH]cnc34)C2)n(-c2ccccc2)c1=O 67741270 LZTBFHPYLSPGLJ-ZDUSSCGKSA-N 376.424 1.621 0 50 GDAA CC[C@@H](C(=O)NCc1ccncc1)N(c1ccc(OC)cc1)S(C)(=O)=O 65364057 AIPWOFYGLWIRDJ-KRWDZBQOSA-N 377.466 1.951 0 50 GDAA COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C 1388269 AYOJGYGEFWWKAU-UHFFFAOYSA-N 390.874 1.212 0 50 GDAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)NCCNc3ncccn3)C2=O)cc1 409414026 HYTIZEFTXLMEON-MRXNPFEDSA-N 396.451 1.643 0 50 GDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)C2CC2)CC3)s1 77428962 GMWJMAWPSUXOCC-UHFFFAOYSA-N 378.479 1.942 0 50 GDAA COCCn1cnnc1CN(C)c1nc(-c2cccnc2)nc2c1cnn2C 72424540 ZGFHGYMZULBIOW-UHFFFAOYSA-N 379.428 1.300 0 50 GDAA C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)O)CCSC1 262120837 ITJLMWCWJUTXOX-QFYYESIMSA-N 386.470 1.962 0 50 GDAA CC(C)N1C(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)cc2S1(=O)=O 376094475 LETCWNWIRZHTPZ-BLLLJJGKSA-N 392.477 1.879 0 50 GDAA COCc1nn2c(nnc3c(=O)n(NC(C)=O)ccc32)c1-c1ccc(Cl)cc1 40396207 ALUOWAUBQAJJGL-UHFFFAOYSA-N 398.810 1.996 0 50 GDAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)N1CCS[C@H]2COCC[C@@H]21 242156007 WVADLPGBKCEJQJ-ZFWWWQNUSA-N 391.424 1.220 0 50 GDAA CC1(C)CC(Nc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC(C)(C)N1 426712219 UJCYKPJVDVKVQU-ZDUSSCGKSA-N 375.517 1.883 0 50 GDAA O=C(c1cccc(O)n1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 284626634 VWMQITFMVUPSGZ-UHFFFAOYSA-N 399.831 1.726 0 50 GDAA O=C1CCC(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)=NN1 95529144 VJJKBMYXDULCHX-FQEVSTJZSA-N 383.452 1.079 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 91625219 RFUOCMZQICBMPD-SFHVURJKSA-N 384.436 1.344 0 50 GDAA CN(C)C(=O)N1CCC[C@@H](C(=O)NCc2nncn2CCc2ccccc2)C1 95378226 WQWFCGPWAJIZSF-QGZVFWFLSA-N 384.484 1.531 0 50 GDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CCc2cn[nH]c2)CC1 96162190 MQCCHZAMPPGPPY-UHFFFAOYSA-N 382.472 1.605 0 50 GDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c(=O)c3ccccc13)C2 95384044 RJFLFEYUTSOVSD-LSDHHAIUSA-N 380.448 1.952 0 50 GDAA Cc1cc(N2CCCN(C(=O)NCCSc3n[nH]c(C)n3)CC2)ccn1 426667170 XUWXYVUOJHQJPF-UHFFFAOYSA-N 375.502 1.831 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nccnc2C(=O)N2CCCCC2)on1 96133412 XZNGAHRNKVTFDV-ZBFHGGJFSA-N 399.451 1.387 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)cc(C)o1)CC2 91755917 DCCWBMIGSQJILY-UHFFFAOYSA-N 376.453 1.830 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 95530133 RSLHWDQHICYQPZ-UHFFFAOYSA-N 383.452 1.333 0 50 GDAA CN(C)S(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91504351 SLENCIUFXKWRON-RMKNXTFCSA-N 377.510 1.821 0 50 GDAA CCc1cc(N2CCC(N3CCCN(C(=O)COC)CC3)CC2)nc(C)n1 96152756 VACAVXBCUBBKQB-UHFFFAOYSA-N 375.517 1.497 0 50 GDAA Cc1nc(CN2C(=O)N(CCc3ccccc3)C3(CCNCC3)C2=O)n(C)n1 95382170 GCQSMBFNGVRFMZ-UHFFFAOYSA-N 382.468 1.253 0 50 GDAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 177158374 CYRWHNZPSYISOG-OAQYLSRUSA-N 391.431 1.900 0 50 GDAA COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCSCC2)c1 97436955 CYDPGUKOUKCDMM-ZDUSSCGKSA-N 386.539 1.967 0 50 GDAA COCCc1noc(CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 92002027 QCMAKFZTXOWJDP-INIZCTEOSA-N 392.500 1.642 0 50 GDAA Cc1[nH]nc(CCC(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c1C 244719058 LWEJPPLPMLUYPH-SHTZXODSSA-N 382.472 1.395 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCCc1ncccc1C)C2 296896356 XKNNGYXZWYNJRP-UHFFFAOYSA-N 388.493 1.609 0 50 GDAA COC(=O)c1cccc(NC(=O)CCn2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)c1 263587766 KYUPZLYNPQYMOV-UHFFFAOYSA-N 398.375 1.278 0 50 GDAA CN(Cc1nc2ccccc2n1C)C(=O)NCCCN1CCC(C(N)=O)CC1 534648536 VRRNHEZWKHQYKG-UHFFFAOYSA-N 386.500 1.302 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)O)c1 299753523 YLCGSKGMAHXQMY-CVEARBPZSA-N 382.482 1.169 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CSc3nnc(C)o3)C2)no1 952873160 HMCRPLWXSJFCHP-LBPRGKRZSA-N 379.442 1.435 0 50 GDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@H](OCc2ccccn2)C1 952967791 MCOGHYZBXPMZCG-IBGZPJMESA-N 394.435 1.644 0 50 GDAA CSc1ncc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)cn1 1565513962 RKOAEDXDBILYBY-GJZGRUSLSA-N 377.470 1.169 0 50 GDAA CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Br)cc(C(=O)O)c1 273795793 WBZRKIYNZFFTER-UHFFFAOYSA-N 391.243 1.046 0 50 GDAA COCCn1ccnc1CN1CCCN(C(=O)c2cccc3nccnc23)CC1 1529139885 XCEXVLUQYXOSTC-UHFFFAOYSA-N 394.479 1.821 0 50 GDAA Cc1nc(N2CCCC2)nc(NCCc2ccc(S(N)(=O)=O)cc2)c1C 1529162067 TYZRZLXIEMVYDB-UHFFFAOYSA-N 375.498 1.996 0 50 GDAA COc1cc(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc(OC)c1OC 1704298927 LTNPYUAJTMKCHL-UZLBHIALSA-N 392.452 1.724 0 50 GDAA Cc1nc(CC(=O)N2C[C@H]3COC[C@@H]2CN(Cc2[nH]cnc2C)C3)cs1 1772702269 VEFKZDHAOZIDCY-HOCLYGCPSA-N 375.498 1.385 0 50 GDAA O=C1CCCN1CCCN1C[C@@H](O)CN(Cc2ccccc2Cl)CC1=O 14530971 BJYWEUHSMUBZGZ-INIZCTEOSA-N 379.888 1.358 0 50 GDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)nn1 15071746 CEYQYLPDWWBIBO-KRWDZBQOSA-N 385.468 1.748 0 50 GDAA Cc1cc(N2CCN(CCO)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1 16527211 IZQPUGXFIXFCEJ-UHFFFAOYSA-N 386.887 1.791 0 50 GDAA CN(CC1(N2CCOCC2)CCCCC1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 19741822 LAYMVLUKVTUKSX-KRWDZBQOSA-N 377.529 1.881 0 50 GDAA CN1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 19800151 HZFSUNBRIZKRRW-UHFFFAOYSA-N 379.404 1.245 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccn(C)n3)C2=O)cc1 206248780 JAJXFTAZRBBYGY-OAHLLOKOSA-N 385.424 1.311 0 50 GDAA CCn1cc(CN(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)cn1 1857529743 QTTGFINYUCTITJ-QGZVFWFLSA-N 385.516 1.722 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cccc3c2CCC3=O)CC1 1857712782 SMRQYUMMNJNZIP-UHFFFAOYSA-N 378.432 1.844 0 50 GDAA CC(=O)NCCCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857723404 FBXXPMBIAMSTSE-ICSRJNTNSA-N 391.516 1.091 0 50 GDAA Cc1ccc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1N1CCNC1=O 1857728907 QUODRXPSJYTVER-UZLBHIALSA-N 384.436 1.088 0 50 GDAA CCOc1ncccc1C(=O)NCc1cnc2c(c1)CN(S(C)(=O)=O)CC2 1875249435 SMYOVTQWMGNDNF-UHFFFAOYSA-N 390.465 1.123 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)cc1Br 408324381 LJKMQBMVACGVBV-UHFFFAOYSA-N 398.282 1.598 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H](C)c1cncc(F)c1)C2 332458155 GXMPWUWILDKNBE-LBPRGKRZSA-N 392.456 1.958 0 50 GDAA CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O 242498632 HKQZUYOVMYOFIT-POODGSOTSA-N 377.525 1.251 0 50 GDAA biogenic O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H]4CC[C@@H](C3)N(CC3CC3)C4)cc2o1 247845182 CWHNWJCPSTWGDH-KBPBESRZSA-N 377.466 1.616 0 50 GDAA O=C(Cn1ncn2nccc2c1=O)N1CCN(c2ccc(F)cc2Cl)CC1 161889670 VMTDKCNTGWLFBX-UHFFFAOYSA-N 390.806 1.032 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 828635571 IXIXPNBEPBPMAM-LPMFXHHGSA-N 393.488 1.459 0 50 GDAA O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)C(=O)Nc1ccn(CCc2ccncc2)n1 874305457 LFMZRSASDRFJSZ-ULQDDVLXSA-N 383.452 1.533 0 50 GDAA NC(=O)C12CC(CNC(=O)c3cc4c(F)cccc4[nH]3)(C1)OC21CCNCC1 1875393740 RIWWQMFQSNOPMK-UHFFFAOYSA-N 386.427 1.194 0 50 GDAA CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1 886091729 OEVHRNDAJUONJL-KRWDZBQOSA-N 393.509 1.695 0 50 GDAA CC[C@@H]1COC(C)(C)CN1c1ncnc2c1ncn2C1CC(CO)(CO)C1 888097385 HSQSQXOYJOKEMU-CYBMUJFWSA-N 375.473 1.526 0 50 GDAA COc1ccc(CN2CCC(N3C(=O)N[C@@H]4CN(C(C)=O)CC[C@H]43)CC2)cc1 888103636 QUGNPSCTUGHPGK-WOJBJXKFSA-N 386.496 1.674 0 50 GDAA COc1ccc(CN2CCC(N3C(=O)N[C@H]4CN(C(C)=O)CC[C@H]43)CC2)cc1 888103635 QUGNPSCTUGHPGK-VQTJNVASSA-N 386.496 1.674 0 50 GDAA O=C(CCN1CCCCC1)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nccn2nnnc12 1775992485 SVUCBYZNIMCGEV-BJWYYQGGSA-N 398.515 1.259 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356137244 UOLWTJUVPNWCMU-NRFANRHFSA-N 390.447 1.922 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN(C2CC2)C[C@H]1C 2356142394 QEJHSGXODNZQJJ-CQSZACIVSA-N 376.482 1.738 0 50 GDAA O=C(N[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1O)c1cccn1C(F)F 2356149632 MXDRVEWREGZDIP-NJZAAPMLSA-N 385.411 1.438 0 50 GDAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)c1 221878593 XAWSBUPRNJPVEZ-SMKFHGBISA-N 393.495 1.906 0 50 GDAA CNC(=O)[C@H]1CCCN(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1 114966525 QDFLEVVBKDNIAC-KRWDZBQOSA-N 391.516 1.671 0 50 GDAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cnn2cccnc12 67934353 AJAJJBWDXGXEFG-FQEVSTJZSA-N 383.427 1.512 0 50 GDAA O=C(NCc1nnc2ccccn12)N1CCN(C[C@@H](O)c2ccccc2)CC1 117026466 YUVDRBJVPGMXOP-QGZVFWFLSA-N 380.452 1.290 0 50 GDAA CC[C@@H](C(=O)NCc1ccccn1)N(c1cccc(OC)c1)S(C)(=O)=O 65363969 PCGABEOWPDBMKI-KRWDZBQOSA-N 377.466 1.951 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2F)cc(-n2cccn2)n1 67620929 BPSMVIDEHPNJLY-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA CN1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 65362260 RHRBGYNLLBBJBL-UHFFFAOYSA-N 387.505 1.895 0 50 GDAA CCN(CCN(C)C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67562732 CEPPFZNLGJJKFB-MRXNPFEDSA-N 376.501 1.386 0 50 GDAA Cc1nc(CNC(=O)c2cccc3c2CN(CCc2cn(C)cn2)C3=O)no1 72474858 ZQUNTPKDHGDHFR-UHFFFAOYSA-N 380.408 1.240 0 50 GDAA CC1CCN(C(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 170597829 SMTIWIZTDXEJLW-UHFFFAOYSA-N 388.464 1.838 0 50 GDAA COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCCCC1 67603473 NJHSBPYHAFDBHL-UHFFFAOYSA-N 395.525 1.694 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 72447322 HFFOXJNHAKVVOA-UHFFFAOYSA-N 377.452 1.253 0 50 GDAA CN(C)c1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71774457 ZLGZSFYGXAGDTI-QGZVFWFLSA-N 386.544 1.846 0 50 GDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)C[C@H]1CCC(=O)N1)C2 72171244 RHUVZWUHMCTYNY-CQSZACIVSA-N 380.452 1.158 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)N1 153250300 MVHLEEDEXUHPPT-UWVGGRQHSA-N 375.288 1.675 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@H](c2cnn(C)c2)N(C)C)n1 328623962 CFBLTPMRUHTKDA-LMMKCTJWSA-N 387.532 2.540 0 50 GDAA COc1ccc2c(c1)CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H](C1CCCCC1)C2 370362171 RXTBQBCFGYQPAW-LJQANCHMSA-N 397.479 1.919 0 50 GDAA O=C(O)[C@@H]1[C@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C21OCCO1 216020110 WISKRSLFACBKHS-MUCBEFDLSA-N 377.991 1.803 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2c(OC)cccc2OC)c1 71764321 ATXLXNCVVALJEG-UHFFFAOYSA-N 395.433 1.994 0 50 GDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cn2cc(Cl)cnc2n1 426700133 ZWFZGBFERRSOGP-GFCCVEGCSA-N 385.877 1.317 0 50 GDAA O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)N1CCOCC1 239338760 LEKVDIWKYKCQGN-KOUJMVCDSA-N 378.428 1.717 0 50 GDAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 20615038 PLXFIEMZCLIFQJ-UHFFFAOYSA-N 380.807 1.869 0 50 GDAA O=C1CCCCN1CC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95379873 ATDZLWXAJJMDBK-VLCRHTCISA-N 383.492 1.793 0 50 GDAA CS(=O)(=O)NCc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)o1 176557682 WVNUDUBFMLTBPK-UHFFFAOYSA-N 392.481 1.644 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)NCc3nc(C(C)C)no3)C2)CCC1=O 426526026 IWNNZFTVRMFSJT-IBGZPJMESA-N 393.488 1.754 0 50 GDAA O=C(Nc1ccnn1Cc1cccnc1)N[C@@H]1CCCN(c2cnccn2)C1 97463641 CTDSPELXUITJPY-MRXNPFEDSA-N 378.440 1.907 0 50 GDAA C[C@@H](c1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1)N1CCOCC1 97301282 ITMLEOUFLVVDGD-INIZCTEOSA-N 382.512 1.871 0 50 GDAA Cc1nc(C)c(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)s1 91713423 FKWRLGWKMSIDIP-UHFFFAOYSA-N 376.486 1.774 0 50 GDAA O=C(O)c1ccc([C@@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)cc1 95391099 UWIUEGXIFQZIHU-MRXNPFEDSA-N 396.465 1.606 0 50 GDAA NC(=O)N1CCN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)CC1 95529179 FJLFPABNQDNJSS-IBGZPJMESA-N 390.528 1.499 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2nc(C)sc2C)C1 244796061 RSAMVEIKEUFNAV-BETUJISGSA-N 379.486 1.095 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2o1 244811343 SBAIGGRKTLYDKP-GLKRBJQHSA-N 375.406 1.307 0 50 GDAA COCCN1CCN(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 534586973 MQVKWYVIQDBNKF-LJQANCHMSA-N 378.492 1.936 0 50 GDAA C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 299740411 ZKAJZDPJPWSKIY-CZUORRHYSA-N 379.486 1.285 0 50 GDAA C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 299398830 XQEDQTHHSXPWIU-HZPDHXFCSA-N 379.526 1.904 0 50 GDAA COC(=O)c1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1 1940193695 JPOSDILXIBJAMV-UXHICEINSA-N 396.443 1.996 0 50 GDAA O=C(Nc1ccccc1I)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239308860 HAQIGTBNXIJVGQ-KKOKHZNYSA-N 385.157 1.884 0 50 GDAA COc1cc(NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ncn1 272873389 SIQNIBYGFUYHJJ-UHFFFAOYSA-N 396.451 1.224 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)N2CCC3(CC2)OCCc2ccsc23)C1 1704301369 WRLMZXLCAYQJOO-HNNXBMFYSA-N 377.510 1.336 0 50 GDAA COc1cc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(OC)cc1C 1704302682 BUVXHAXZLMBNKJ-HZPDHXFCSA-N 392.477 1.943 0 50 GDAA Nc1nc(CCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)cs1 1772808668 XLTFSJXLYYSFTP-NSHDSACASA-N 393.538 1.482 0 50 GDAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCNC(C)=O 11709807 NXESSXPCIBUFKJ-FQEVSTJZSA-N 396.576 1.184 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1Cc1ccccc1F 11935196 CTSFVKIYCJBZGU-OAHLLOKOSA-N 381.473 1.821 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14733083 CLFUIYVVGCBZBB-QZTJIDSGSA-N 381.407 1.220 0 50 GDAA CCN(CC)C(=O)CO[C@@H]1CN(C)CC(=O)N(Cc2ccc(OC)cc2)C1 14733142 ZOYKWBTWYVSGNT-GOSISDBHSA-N 377.485 1.223 0 50 GDAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@H](C)CO)CC2 14749675 XNECKDCEXKIBRT-MRXNPFEDSA-N 390.484 1.098 0 50 GDAA C[C@H]1CN(C2(C(=O)NCCc3cnccn3)Cc3ccccc3C2)C[C@@H](C)O1 14980090 AMRBPBLGVCUPIT-CALCHBBNSA-N 380.492 1.782 0 50 GDAA Nc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2ccccn2)C1 1857529899 JTUHGBFVXQUCBZ-LLVKDONJSA-N 399.270 1.663 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)C2CCOCC2)CC12CCN(C1CCOCC1)CC2 1857692480 GUBRYGNILGNYEP-KRWDZBQOSA-N 380.485 1.217 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2scc3c2OCCO3)CC1 1857722613 JXBMJEPOCYPXDF-UHFFFAOYSA-N 388.449 1.548 0 50 GDAA Cc1nc(=N)[nH]cc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857736504 ROESLXLPWMPQMG-OALUTQOASA-N 381.480 1.876 0 50 GDAA CCOc1ccccc1-n1nnc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 11690478 XNKKPMAZBRZACH-ZDUSSCGKSA-N 378.454 1.234 0 50 GDAA O=C1CC2(CN1)CN(C(=O)[C@H]1CCCN1C(=O)Cc1ccc3ccccc3c1)C2 1875254929 OWFJAZDINMFZQJ-LJQANCHMSA-N 391.471 1.722 0 50 GDAA Cn1ncnc1[C@@H]1COCCN1Cc1csc(CNC(=O)c2ccccc2)n1 375373725 PEYKCKDKUMKVFF-INIZCTEOSA-N 398.492 1.775 0 50 GDAA CCCn1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1262620484 FPHNELFQJIOMGO-PKOBYXMFSA-N 387.455 1.858 0 50 GDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCc3ccccc32)C1 1875370889 HSQPBMMQAAVCMH-QZTJIDSGSA-N 383.492 1.764 0 50 GDAA Cc1cccc(NCCNC(=O)Nc2cnc(N(C)Cc3nccn3C)nc2)n1 1875309334 INDMBCGGXLLISY-UHFFFAOYSA-N 395.471 1.784 0 50 GDAA O=C(N1CCOCC1)N1CCCC[C@H]1c1n[nH]cc1I 1875340030 ITIUCAUVYZVOCY-NSHDSACASA-N 390.225 1.994 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(=O)O)o2)c1 1875340272 TWCUCVYYNMHYHX-UHFFFAOYSA-N 382.394 1.966 0 50 GDAA O=C([C@@H]1C[C@@](O)(C(F)(F)F)CN1)N1CC[C@H](c2ncnc3ccccc23)C1 1875404656 PSHWIUPWXATAQW-YLVFBTJISA-N 380.370 1.601 0 50 GDAA CC(C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2nccs2)CC1 888103519 KTMMGXUNTQIAIO-HOTGVXAUSA-N 391.541 1.758 0 50 GDAA Cc1cc(N2CCN(C(=O)c3ccc(O)nc3C(C)C)CC2)n2ncnc2n1 2100539812 ZKTFRLPOPWQBMM-UHFFFAOYSA-N 381.440 1.619 0 50 GDAA COC[C@]1(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)CCNC1 2325799579 IYRFRJUDSIIICO-HNNXBMFYSA-N 380.246 1.138 0 50 GDAA O=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(-c2cnn3cccnc23)cc1 854192145 AINWICPQKGPXPW-MRXNPFEDSA-N 386.477 1.627 0 50 GDAA CC[C@H](CCOC)C(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CCC(=O)N(CC)C2)C1 2325863993 CNMKZPVDJDVQPZ-KURKYZTESA-N 395.544 1.805 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(NC(=O)c3cccs3)CC2)C1 2325888658 NZMYGPNWJKELQF-AWEZNQCLSA-N 375.494 1.894 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)N1CCc2nc(C3CCOCC3)nn2CC1 2356168245 VXMDKMGDHNYCPX-UHFFFAOYSA-N 394.472 1.867 0 50 GDAA O=C1CN(Cc2cn(CC3CCN(C4Cc5ccccc5C4)CC3)nn2)CCN1 23232241 GEDYLPBDBUZGKE-UHFFFAOYSA-N 394.523 1.089 0 50 GDAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 421903526 FDFFRANKBYMWIX-HNNXBMFYSA-N 389.419 2.414 0 50 GDAA Cc1cc(CN2CCN(C(=O)C3CCN([C@H]4CCSC4)CC3)CC2)no1 328592672 ZLGHMZKDGBFNMF-SFHVURJKSA-N 378.542 1.845 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3cc(C)n4nc(C)cc4n3)C2)nn(C)c1=O 67817702 GMGODGPZUUOLOE-AWEZNQCLSA-N 383.456 1.281 0 50 GDAA CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](C(=O)O)C3)n2)cc1 61718358 AODNHTBEBNRWFZ-CQSZACIVSA-N 387.461 1.955 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1c1ncc[nH]1 328617787 DAQPJIPTIQQOOF-BBRMVZONSA-N 376.482 1.801 0 50 GDAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 65361850 GAYPOGUZCNTSCO-UHFFFAOYSA-N 376.438 1.067 0 50 GDAA CN1CCCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 71738728 LJKAYCARAQHZGO-NRFANRHFSA-N 399.583 1.922 0 50 GDAA CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCC[C@@H]1O 72446923 BSSKYQTXNFZSBU-GJZGRUSLSA-N 386.539 1.911 0 50 GDAA COC(=O)c1cc(Br)c(S(=O)(=O)N2CCO[C@H](C)C2)s1 252537449 LEURHVSGSPKXAL-SSDOTTSWSA-N 384.273 1.707 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCN1Cc1ccc(F)cc1 71738637 XXFCSYREGQCKKD-KRWDZBQOSA-N 390.459 1.436 0 50 GDAA NC(=O)[C@H]1CCCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 426552210 AJHOIIIOZZRQOX-LBPRGKRZSA-N 377.832 1.839 0 50 GDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccnc3ccccc13)C2 221176120 BQYZGEAUCMVPCX-FQEVSTJZSA-N 379.464 1.959 0 50 GDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 91474591 KYVVCASKAKXPFE-FQEVSTJZSA-N 385.420 1.206 0 50 GDAA CCn1nc(C)c(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)c1C 96161931 BTBKZJBUPXENNA-JXFKEZNVSA-N 376.501 1.517 0 50 GDAA CN1CCN(S(=O)(=O)c2ccccc2CN[C@H]2CCOC3(CCC3)C2)CC1 295167254 KZVFKXFRHXTCGT-SFHVURJKSA-N 393.553 1.814 0 50 GDAA O=C(CN1CCCCC1=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91770080 ZXVXHPXIARIILN-UHFFFAOYSA-N 398.507 1.825 0 50 GDAA Cn1cc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)cn1 96164001 UDDXGKXSFFWXRE-UHFFFAOYSA-N 380.456 1.611 0 50 GDAA Cc1noc(C)c1CN(C)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 95529293 MPQDSWHYJYHIMU-IBGZPJMESA-N 389.496 1.995 0 50 GDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)O)CC1 248028911 NKJHOUHWBHYJQQ-AJNGGQMLSA-N 385.530 1.065 0 50 GDAA biogenic O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1nc2ccccc2[nH]1 252518181 AFXINWZURQTEKG-MRXNPFEDSA-N 377.404 1.894 0 50 GDAA O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 252490258 KNHMEPIOZGNWKQ-CVEARBPZSA-N 378.432 1.636 0 50 GDAA Cc1ccn2ncc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)c2n1 184503491 JHKOHEWPDYPSMD-SFHVURJKSA-N 393.447 1.238 0 50 GDAA N=c1cc[nH]c(-c2ccc(C(=O)N3CCN(CC4CC4)[C@H](CCO)C3)cc2)n1 534593069 VELKGSPWMLSBKW-GOSISDBHSA-N 381.480 1.475 0 50 GDAA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cnn(CCC(N)=O)c3)c2)C1 534578213 PTYMBAYWVPKDPS-INIZCTEOSA-N 383.452 1.024 0 50 GDAA COC(=O)c1cn(CCN2CCN(Cc3ccccc3)CC2)cc2c(=O)[nH]nc1-2 263588908 ZTCNHUUVJZONPF-UHFFFAOYSA-N 395.463 1.281 0 50 GDAA CN(c1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cc1)S(C)(=O)=O 828248072 KWMNEIAIKYWNJZ-CQSZACIVSA-N 393.509 1.603 0 50 GDAA O=C(NC[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1)c1cncnc1 826589564 DDRZRFDPLNIHQR-OAHLLOKOSA-N 392.456 1.588 0 50 GDAA O=C(NCCN1CCOCC1)C1CCN(C(=O)[C@H]2C[C@H]2Cc2ccccc2)CC1 1875265258 YKBOQOXUPMNXNE-RTWAWAEBSA-N 399.535 1.552 0 50 GDAA C[C@H]1CN(C(=O)CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)C[C@@H](C)O1 1565526625 YORPYPXEPDRWBO-BWPNAZKDSA-N 385.508 1.745 0 50 GDAA O=C(CN1Cc2ccccc2C1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952862105 MCUFDGVAESKHEK-UHFFFAOYSA-N 395.459 1.879 0 50 GDAA O=C1CN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)[C@H](c2ccccc2)CN1 886845716 LBMYEIQPBAFXPG-OALUTQOASA-N 392.459 1.843 0 50 GDAA C[C@@H](C(=O)N1CCSc2ccccc21)N1CCN(S(C)(=O)=O)[C@@H](C)C1 408120076 CCPYCHJUETXQHP-KBPBESRZSA-N 383.539 1.480 0 50 GDAA CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(Cl)ncnc2N(C)C)cc1 225701265 FPWYANABFKSDKH-UHFFFAOYSA-N 397.888 1.376 0 50 GDAA CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)[C@H](O)C1 912755624 SVOJJPCDVXWRAM-VHSXEESVSA-N 376.331 1.520 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1)C2 1529185113 JVOJZBROGUQTBN-UXHICEINSA-N 382.464 1.911 0 50 GDAA CN1CCCN(CC(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1 1615953723 QCTFVJAJXOJUMW-RXVVDRJESA-N 382.508 1.234 0 50 GDAA COc1ccc(C(=O)NCCNC(C)=O)cc1OC1CCN(C(C)C)CC1 12590562 OQZGBRGQXJWFKJ-UHFFFAOYSA-N 377.485 1.813 0 50 GDAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CNC(C)=O 12596046 SJXSJXIRQHJKBY-UHFFFAOYSA-N 391.512 1.518 0 50 GDAA O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccc(N2CCCC2)nn1 1857531149 YWPOKICCMOHTPR-RCBQFDQVSA-N 390.875 1.496 0 50 GDAA CC[C@@]1(C(=O)NCCn2nccc2C)C[C@@H]2CC[C@H]1N2C(=O)c1nonc1C 1857712470 ZQYKFTBAMFXXSA-QMTMVMCOSA-N 386.456 1.473 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)N3CCc4ncccc4C3)CC2=O)s1 1857717044 VMODOKJLKVEDFF-CYBMUJFWSA-N 387.465 1.407 0 50 GDAA COc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc(OC)c1OC 1857717107 JQXIKQBUECBYRO-RLFYNMQTSA-N 376.453 1.694 0 50 GDAA CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1 1857735660 FWIWTICSFPIJKA-SOLBZPMBSA-N 394.493 1.393 0 50 GDAA O=C(Cc1cccc(F)c1F)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C1CC1 1857736126 LTSOVVCSWIFEBP-HUUCEWRRSA-N 395.431 1.736 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)Nc1ccc3c(c1)CCC3)C2 1875243908 DCBGVCVLAYLTHR-AEFFLSMTSA-N 385.464 1.210 0 50 GDAA O=C(NCCCn1cccn1)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1875247028 JCSPMJOKJMOMNE-ICSRJNTNSA-N 375.517 1.155 0 50 GDAA CN(C[C@H](O)COC1CCOCC1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328636875 OHOKZHZCXLJKFM-KGLIPLIRSA-N 391.434 1.953 0 50 GDAA O=C(c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1C[C@H]2CCN[C@H]2C1 247872953 MNJHSQMFLWKJIF-QAPCUYQASA-N 377.510 1.732 0 50 GDAA CN1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1=O 265648850 KTSPRXLHXRTWJB-HOCLYGCPSA-N 377.872 1.881 0 50 GDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3C[C@H]4COC[C@H](CN4C)C3)o2)c1C 1704327447 DJFJKLWXJZRQOT-KGLIPLIRSA-N 380.470 1.238 0 50 GDAA Cn1nnc([C@H]2CN(C(=O)c3ccccc3OC(F)(F)C(F)F)CCO2)n1 2100473773 YTHDPZVLIMQJHF-LLVKDONJSA-N 389.309 1.661 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H]1NS(C)(=O)=O 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O=C(O)c1cnc2c(c1)n(CCCn1cccn1)c(=O)n2CCc1ccccn1 55182683 YYPMVHYXZLBBPK-UHFFFAOYSA-N 392.419 1.821 0 50 GDAA COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10338300 XHMXUUZXSMRCKX-UHFFFAOYSA-N 375.878 1.806 0 50 GDAA COCCNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2nonc2C)s1 20601355 NHKGTXOMWVWUNF-CYBMUJFWSA-N 378.454 1.722 0 50 GDAA Cc1nc2ccccn2c1CC(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1 67542246 LPSOWGVIPHBNED-UHFFFAOYSA-N 381.436 1.942 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@H]1CC(=O)NC1CCCC1 72430645 LCYRYHYWBPEFSB-QGZVFWFLSA-N 376.501 1.646 0 50 GDAA CC(C)c1ccc(N2CCC([C@]3(c4ccccn4)NC(=O)NC3=O)CC2)nn1 67688341 WDNYQBHBDKMLIZ-HXUWFJFHSA-N 380.452 1.946 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3C[C@H](O)[C@@H](N4CCCC4)C3)c12 72426433 XEDGISMBQQWJDA-HOTGVXAUSA-N 379.468 1.379 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N[C@H]4CCCOC4)nc3c(=O)n2C)cc1 72430785 SGMDNEKVKNPDTJ-AWEZNQCLSA-N 382.420 1.617 0 50 GDAA O=C(Nc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 72171685 XBNOCACODUCPLS-KRWDZBQOSA-N 381.407 1.649 0 50 GDAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)c2ccc(Cl)c(-c4nnn[nH]4)c2)[C@H]31 285311235 MBESGMNWAYAXNB-IOJWWUGISA-N 395.872 1.564 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 72146570 YVYQQUAGZSPBPA-HNNXBMFYSA-N 379.438 1.353 0 50 GDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2)N1CCSCC1 77298072 WXHMNPNWTQSQBV-XLSPSMHOSA-N 388.464 1.683 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 219281507 OFDKKNFFVHTULY-OLZOCXBDSA-N 377.894 1.634 0 50 GDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@@H](C(=O)O)c1ccccc1 49545589 ZLZLQPSBJZDTOQ-LJQANCHMSA-N 381.363 1.992 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1ncc[nH]1 72163633 WQFHDJPPUDAORD-CQSZACIVSA-N 395.385 1.435 0 50 GDAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O 426489966 DFSMQWPQFATQCK-UHFFFAOYSA-N 379.464 1.874 0 50 GDAA CC(C)c1noc([C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)n1 225526990 ACXYZWJFUVFDLH-ZDUSSCGKSA-N 377.422 1.965 0 50 GDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CCC1=O 95361845 UJFZVGQPFBZSMU-UHFFFAOYSA-N 379.482 1.166 0 50 GDAA CN(C)c1nc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)ncc1F 91656346 KZEYLRNMPLFIPI-HIFRSBDPSA-N 381.452 1.074 0 50 GDAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCCCn1nnc2ccccc21 96151054 TXUONZSVSANOTD-KRWDZBQOSA-N 377.448 1.954 0 50 GDAA CCN(C1CCOCC1)S(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](C)C2)c1 97522208 NGZPSHBUXGIPTR-HNNXBMFYSA-N 395.525 1.310 0 50 GDAA Cc1ccnn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95520228 FFRGMVCQOKHFQZ-UHFFFAOYSA-N 382.468 1.227 0 50 GDAA CSc1nc(-c2nc(CC(N)=O)nn2-c2ccc3c(c2)OCO3)cs1 95508831 ZPAAAUFATHTUKZ-UHFFFAOYSA-N 375.435 1.869 0 50 GDAA CCN1C[C@H](C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)CC1=O 95384010 HYYCNMQXDZOOIO-QGZVFWFLSA-N 375.517 1.409 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cccnn4)C3)CCC2=O)cn1 92045518 ALOSQEXLHAYQDA-FQEVSTJZSA-N 380.452 1.620 0 50 GDAA CC(C)(C)OC(=O)N1CCc2[nH]c(I)nc2[C@@H]1C(=O)O 252571961 YOPFMMYYCUBYJK-MRVPVSSYSA-N 393.181 1.933 0 50 GDAA CN(CC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)Cc1ccccn1 299762778 ASYZHVOXWDHSOC-UHFFFAOYSA-N 396.495 1.169 0 50 GDAA CN(CCC(=O)NCCOc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 827815987 LYSIJDKZBIATKU-MRXNPFEDSA-N 391.493 1.239 0 50 GDAA Cn1cc(Cl)c(C(=O)N2CCOC3(CCN(C[C@H]4CCOC4)CC3)C2)n1 825635627 LYFWAHZUVOIDFG-CQSZACIVSA-N 382.892 1.417 0 50 GDAA Cc1ccc2nc(CSCC(=O)N3CCC[C@@H](CNCC(=O)O)C3)cn2c1 1875265362 QGGSYRFTOOJDGQ-HNNXBMFYSA-N 390.509 1.789 0 50 GDAA Cc1ncnc(N2CCN(C3CCN(C(=O)c4cnccn4)CC3)CC2)c1C 952979737 IJYKPFDNHKYSTP-UHFFFAOYSA-N 381.484 1.310 0 50 GDAA CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1 952984600 XGZHMFPCFMFQBS-GFCCVEGCSA-N 388.467 1.749 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cs1 952990612 WMLKALRYDJGFJR-UHFFFAOYSA-N 382.442 1.944 0 50 GDAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)COc1ccc(-c2nnn(C)n2)cc1 888088863 VFSAVULNXWGODQ-MJGOQNOKSA-N 398.511 1.979 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(O)(Cc2ccccc2F)CC1 1324850774 WFOLTJSOXNQTLR-INIZCTEOSA-N 384.473 1.146 0 50 GDAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 225769638 NTKJSCCCZHZDGI-UHFFFAOYSA-N 388.493 1.480 0 50 GDAA Cc1noc2ncnc(N3CCC(N(CC(F)(F)F)S(C)(=O)=O)CC3)c12 192454202 PNROTPCFRXCLNJ-UHFFFAOYSA-N 393.391 1.719 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)cc1Cl 1506410183 DSUHASDUUWOSCH-CQSZACIVSA-N 388.917 1.958 0 50 GDAA Cc1cccn2c(=O)cc(CN3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)nc12 1529190457 JKNPOHJBZOACEP-NZQKXSOJSA-N 393.487 1.791 0 50 GDAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(OCC(N)=O)cc1)C2 1704339162 OREQAJHQDLTQGK-AEFFLSMTSA-N 382.482 1.521 0 50 GDAA CC(C)CCOc1cccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1616080042 QRWFBODRMFBIQD-MJGOQNOKSA-N 384.542 1.796 0 50 GDAA O=C(CCc1cnccn1)N1C[C@@H]2CN(C(=O)c3cccs3)C[C@@]2(CO)C1 1772704168 RYJOHXAZJUOVSF-AUUYWEPGSA-N 386.477 1.064 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccc(F)cc4)c3)CCN2C1=O 14530362 HUCKUSSETVTAAZ-KYNGSXCRSA-N 399.470 1.569 0 50 GDAA COc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 14882355 SXGXCMAETSHNDD-UHFFFAOYSA-N 395.463 1.911 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)c(C)c1 17070415 NKMDQSYTVDGZGO-UHFFFAOYSA-N 383.514 1.178 0 50 GDAA Cn1ccn2ncc(C(=O)N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)c12 1857667737 QUUOGCGSTZOCJS-FQEVSTJZSA-N 379.420 1.562 0 50 GDAA Cn1nc(-c2nc(-c3ccccn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C1CC1 1857680524 KKCRVABQZBLIQG-CYBMUJFWSA-N 384.465 1.978 0 50 GDAA Cn1cc(-n2nc(-c3ccc(C(N)=O)cc3)nc2[C@@H]2CCn3nccc3C2)cn1 1857681032 ZTGVDCHAWSGPHU-OAHLLOKOSA-N 388.435 1.693 0 50 GDAA O=C(Cn1cccn1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857694241 HCASWIJZTMZWLO-NRFANRHFSA-N 390.447 1.947 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)N(Cc3ccccn3)C3CC3)CC2=O)s1 1857714830 NXRDILRMFAQMHT-GFCCVEGCSA-N 387.465 1.624 0 50 GDAA C[C@@H](O)c1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccc3nncn3n2)n1 1857726934 IFWYHZIHQLWEKJ-GFCCVEGCSA-N 390.407 1.552 0 50 GDAA O=C1CCC(CCC(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)=NN1 1857734878 WVKOXCXSVDPVBW-FVJLSDCUSA-N 396.447 1.334 0 50 GDAA CN[C@H]1CCCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C1 133566051 HVJTVXRZDCYUJB-VIFPVBQESA-N 394.266 1.060 0 50 GDAA O=C1C[C@H](N2CCN(CCc3ccncc3)CC2)C(=O)N1c1ccc(F)cc1 100203597 BPKVRBNOTRJZHE-IBGZPJMESA-N 382.439 1.713 0 50 GDAA O=C(NCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)c1ccc2nn[nH]c2c1 2325701746 XRKYHZUIOWHRQO-QGZVFWFLSA-N 398.854 1.514 0 50 GDAA Cn1ccnc1CN(C(=O)Cc1c(Cl)cnn1C)[C@@H]1CC12CCNCC2 2325768474 IIECBCPGNCHVQI-OAHLLOKOSA-N 376.892 1.520 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)O)C3)CC2)cc1 2325788220 TUSZZHHWBHUQQP-LSDHHAIUSA-N 380.466 1.329 0 50 GDAA COCC[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc23)C1 2325790766 IPSQFFDJGLLBSW-LAUBAEHRSA-N 398.463 1.938 0 50 GDAA CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(N2CCOCC2)cc1Cl 812237 WGSZWIQOPAVUNZ-UHFFFAOYSA-N 376.862 1.905 0 50 GDAA Cc1nnc(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)s1 2356158971 GROJFWDLBDFDLU-AFBRZQFHSA-N 397.504 1.837 0 50 GDAA O=S(=O)(N1CCOCC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356165547 DJZJRIVHVKENQN-UHFFFAOYSA-N 391.493 1.609 0 50 GDAA Cc1cc(S(=O)(=O)N2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)sc1C(=O)O 421816696 QMJVOUSPVHJNLU-BQBZGAKWSA-N 386.373 1.039 0 50 GDAA COc1cccc(N2CCN(C(=O)c3ccccc3-c3ncn[nH]3)CC2=O)c1 20864435 VUBHFALOKVRLRD-UHFFFAOYSA-N 377.404 1.969 0 50 GDAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1C[C@@H](O)CN1 67967347 NAWSSLMALVJITC-ZBFHGGJFSA-N 381.411 1.617 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC4(CC3)CNC(=O)O4)c12 72436716 UMARIIAYCURTOG-UHFFFAOYSA-N 379.424 1.813 0 50 GDAA CC(C)(O)CONC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 241515670 OGXKSRGFMRDXMB-UHFFFAOYSA-N 383.470 1.104 0 50 GDAA Cn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c(C(F)(F)F)n1 153924610 DMOIYDDRMNUAEZ-ZDUSSCGKSA-N 381.358 1.755 0 50 GDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 363106939 CMHTXNCCYYDFOJ-SFHVURJKSA-N 384.480 1.353 0 50 GDAA COc1ccc(NC(=O)NCc2cccc(C(N)=O)c2)cc1-n1nnnc1C 363372839 WLKOKULBSIZXDZ-UHFFFAOYSA-N 381.396 1.400 0 50 GDAA 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1.738 0 50 GDAA COCCN1CCC[C@H](CNC(=O)N2CCC(Oc3ncccn3)CC2)C1 426398979 DWBHQPWACORNEV-MRXNPFEDSA-N 377.489 1.388 0 50 GDAA C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)N1CCCC1 95503888 CTMXKPWJXLZZAZ-INIZCTEOSA-N 399.539 1.897 0 50 GDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 95502542 VNPZEJIXUMEXEO-LLVKDONJSA-N 381.388 1.206 0 50 GDAA C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)CCCO1 97711751 GAIVWJQFLMDGAV-ZDUSSCGKSA-N 379.438 1.404 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn3cccc(C)c3n2)C1 244724296 MRKJFHMJXHUVDI-OKILXGFUSA-N 384.440 1.049 0 50 GDAA CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)O 248027493 MPMDCDAQKBJDMJ-ZQDZILKHSA-N 387.546 1.215 0 50 GDAA biogenic Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)cnn1-c1ccc(C(F)(F)F)cn1 299752754 VILOPMUVQGRHRW-GFCCVEGCSA-N 384.314 1.520 0 50 GDAA CCOc1ccccc1N1C[C@H](C(=O)NCc2nc(C(=O)O)cs2)CC1=O 268900788 DXLXBTNNROCNEE-LLVKDONJSA-N 389.433 1.909 0 50 GDAA 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394.371 1.725 0 50 GDAA O=C1N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCN1CCCC1 67434434 UOUNDOMRZWLVJL-OAQYLSRUSA-N 388.487 1.754 0 50 GDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)CC1 24611967 SYTVMCPNLHTGHV-UHFFFAOYSA-N 393.553 1.701 0 50 GDAA O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 229357749 LYCPADBLLGHDRY-KZNAEPCWSA-N 398.459 1.899 0 50 GDAA CCn1cc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cn1 39430230 LDWHPRFFQBJSMW-LJQANCHMSA-N 388.512 1.989 0 50 GDAA NC(=O)c1csc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71763642 FAWKPAUUGUKPFL-CQSZACIVSA-N 391.541 1.545 0 50 GDAA CC(C)CN1CCN(C(=O)c2ccc(Cl)cc2O)[C@H]2CS(=O)(=O)C[C@H]21 72427228 RCNWJACCXWPADV-CABCVRRESA-N 386.901 1.625 0 50 GDAA Cc1ccc(NC(=O)C2CCN(C(=O)Cn3c(C)cc(O)cc3=O)CC2)nc1 363672947 ASETUDAKSYVHEY-UHFFFAOYSA-N 384.436 1.443 0 50 GDAA O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 125078166 VRPPWBYHNCFQLI-IBGZPJMESA-N 381.480 1.463 0 50 GDAA CCC(=O)N1CCN(C(=O)CCCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72462735 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O=C1Cc2cc(S(=O)(=O)Nc3cccc(N4CCCNC4=O)c3)ccc2N1 743263473 GLHZDYMIUQYZQA-UHFFFAOYSA-N 386.433 1.902 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(=O)N(CCN(C)C)CC1 1260769705 ZVPYQTGGTOKBSJ-UHFFFAOYSA-N 383.514 1.097 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3cscn3)OCC(=O)N2C2CC2)cc1 1529172822 IXMYXSRLQMKPRN-MSOLQXFVSA-N 387.461 1.899 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc(-c3cccn3C)n[nH]2)C[C@@H]1NS(C)(=O)=O 213435734 FUOYJSBNLAVVNB-DOMZBBRYSA-N 379.486 1.061 0 50 GDAA CN(C)C[C@@]12CN(Cc3nccs3)C[C@@H]1CN(C(=O)c1cnsc1)C2 1772815787 XCPAIHDYMAHHIJ-PBHICJAKSA-N 377.539 1.735 0 50 GDAA CC(C)NC(=O)c1cn([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn1 12158241 BHIOFGGEKUHURM-QGZVFWFLSA-N 384.484 1.960 0 50 GDAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2CO)C[C@@H](C)O1 12447247 LPPZBYKYQCTUBZ-MJBXVCDLSA-N 378.498 1.602 0 50 GDAA COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](O)C2)cc(-n2cnnn2)c1 14976023 HZFPYDDJKNAXPH-QGZVFWFLSA-N 379.420 1.935 0 50 GDAA CN1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 19589722 GXAPDNCKCFZOBO-UHFFFAOYSA-N 380.297 1.533 0 50 GDAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCCC3)cc12 1857681724 DAJRJVFSXIIMIM-CYBMUJFWSA-N 378.494 1.755 0 50 GDAA Cc1ccc2oc(N3CCC(c4nc([C@H](C)O)nn4CC(=O)O)CC3)nc2n1 1875242513 WEMYDPBFUIXQGK-NSHDSACASA-N 386.412 1.645 0 50 GDAA C[C@@H]1N(S(C)(=O)=O)CCC[C@@]12CCCN(Cc1nccn1C1CC1)C2=O 1875246784 MSLVHFRSBSOUAX-KSSFIOAISA-N 380.514 1.771 0 50 GDAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)CSCc1cc(=O)n2ccsc2n1 263266060 VLIUIXNXDSUDPQ-GHMZBOCLSA-N 381.479 1.701 0 50 GDAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 263334082 MBPSPNHHYPDYJA-NXEZZACHSA-N 375.351 1.660 0 50 GDAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CCC2)CC1 1875253390 ZSIPWENXIMCIRH-GOSISDBHSA-N 387.480 1.861 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)C1 1875301184 CQFJYTIFANSTLR-KZULUSFZSA-N 397.397 1.947 0 50 GDAA CO[C@@H](C(=O)O)C1CCN(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 1875306087 RXJLJQPCMNGASD-AZUAARDMSA-N 388.464 1.861 0 50 GDAA CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 1875304986 BQDXKHVATTWVEJ-YLJYHZDGSA-N 392.471 1.344 0 50 GDAA CCc1nc(C)cc(=N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)[nH]1 1875301947 YPEPTRWMVXPUCS-OAHLLOKOSA-N 383.500 1.569 0 50 GDAA Cn1nnc2c1C[C@H](c1nc(-c3ccc(Cn4cnnc4)c(F)c3)no1)CC2 888102449 BVABPUAMDBHNEP-GFCCVEGCSA-N 380.387 1.917 0 50 GDAA NCc1nc(C2CCN(C(=O)c3ccn(-c4c(F)cccc4F)n3)CC2)n[nH]1 2325753662 NCGMQUGDAXHISL-UHFFFAOYSA-N 387.394 1.747 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1C[C@@H]2CC[C@]2(C(F)(F)F)C1 2325760330 SPDOBRXAWUFLHQ-WFBYXXMGSA-N 375.372 1.517 0 50 GDAA O=C(c1ccc(S(=O)(=O)Nc2cnn(C3COC3)c2)cc1F)N1CCCC1 2325791977 OJMBOKISHLQDOS-UHFFFAOYSA-N 394.428 1.630 0 50 GDAA CN(C)C[C@@H](C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1 2325798120 NZHFCGIHHZRDBT-OAHLLOKOSA-N 379.457 1.435 0 50 GDAA Cc1cnc(CCCC(=O)N2CC3(C[C@@H](NC(=O)[C@@H]4C[C@H]4C)c4nccn43)C2)o1 2332237689 HVDRYDQSYTWCDO-FVQBIDKESA-N 397.479 1.957 0 50 GDAA CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccccc1Br 869419 OJJUFWLAMALEGE-NSHDSACASA-N 391.287 1.510 0 50 GDAA Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1N(C)S(C)(=O)=O 10386471 MXBJIYYECVIDJX-UHFFFAOYSA-N 397.522 1.881 0 50 GDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 55120264 JBDLINZJKWPSOE-SFHVURJKSA-N 385.468 1.231 0 50 GDAA Cc1c(O)cccc1C(=O)N1CCCn2nc(C(=O)NCCN(C)C)cc2C1 65529605 LMKKXZGVFDGKCS-UHFFFAOYSA-N 385.468 1.235 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cc(C3CC3)[nH]n1)CO2 67654811 XNNMTCLRJPEHJU-MRXNPFEDSA-N 397.479 1.893 0 50 GDAA Cc1ccn(-c2ccc(N3CCN(CC(=O)NC4CCCCC4)CC3)nn2)n1 134144249 MSVVSZCNUVFLAM-UHFFFAOYSA-N 383.500 1.542 0 50 GDAA Cc1ncc(C(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cn1 67789798 VTBCEYVTHCFOLK-UHFFFAOYSA-N 378.436 1.689 0 50 GDAA O=C(NCCOc1ccccc1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20418608 YKODOSWCUPFFSV-GOSISDBHSA-N 389.496 1.143 0 50 GDAA CCC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 170613264 ZPDJNRAZUMYGQL-CPJLOUKISA-N 395.506 1.507 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc21 328631865 RLVXLFJGSJMBIK-HNNXBMFYSA-N 388.493 1.723 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C[C@H]1c1ncc[nH]1 328618568 DWLHBYWIHSHWQH-AWEZNQCLSA-N 376.442 1.059 0 50 GDAA O=C(c1ccccc1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71721604 WTDLJWLVMBYKTG-LJQANCHMSA-N 385.508 1.862 0 50 GDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)n1C 72463066 NNTBLKVWWWDDOR-AWEZNQCLSA-N 375.448 1.801 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nnc(C4CC4)o3)CC2)C1 71661672 VYXCJXCZHMODBI-INIZCTEOSA-N 391.516 1.386 0 50 GDAA O=C(O)CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCOCC1 377142739 QLGBCYPPNVVBJC-HNNXBMFYSA-N 378.450 1.972 0 50 GDAA CN(CCCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 20149280 QHLBZTLYXATIBU-IBGZPJMESA-N 390.503 1.461 0 50 GDAA Cc1nc2c(c(C)c1CCC(=O)N1CCC(c3ccnn3C)CC1)c(=O)[nH]n2C 175065179 CARMLXXKSPPKHU-UHFFFAOYSA-N 396.495 1.951 0 50 GDAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1coc(CN2CCOCC2)c1 95378719 HEPUHUOFRPVRGR-GOSISDBHSA-N 383.448 1.643 0 50 GDAA COc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)ccc1OC1CCN(C)CC1 95521381 HVFSAOGCZVDUCV-CQSZACIVSA-N 380.466 1.209 0 50 GDAA O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95508479 FACQJOXKGBZUDI-ZLGUVYLKSA-N 380.448 1.770 0 50 GDAA CN(C)c1ncc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)s1 96153836 ICCSSXXFUDZCBG-UHFFFAOYSA-N 386.529 1.962 0 50 GDAA COCCNC(=O)c1cccc(S(=O)(=O)N(C)CCc2ccccn2)c1 95366313 WJUGOLFHUSQBHR-UHFFFAOYSA-N 377.466 1.321 0 50 GDAA COc1ccc(OC)c(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)c1 95355043 MJPFBCRSFFOTRU-DLBZAZTESA-N 385.530 1.556 0 50 GDAA CCNC(=O)N1[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@H]2CCCC[C@H]21 245229094 NBRFRIXWIPZVJO-ARFHVFGLSA-N 376.432 1.995 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)O)c(Cl)cc1Cl 247395925 MGFHIQBDBPZGMV-BVMVBECYSA-N 380.205 1.785 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)Cc1cnc3c(C)cccn13)CC2 534587889 OESSHNDQHYRUFP-PLMTUMEDSA-N 384.480 1.860 0 50 GDAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2cccnc2)CN(C(=O)Cc2ccccc2)C1 72153897 KPDQEUQISLZRKK-MSOLQXFVSA-N 381.432 1.490 0 50 GDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)sc1C 55036266 XONALQWBWIXLGC-OAHLLOKOSA-N 376.482 1.402 0 50 GDAA COc1ccccc1[C@@]1(CC(=O)N(C)CCc2ccccn2)CC(=O)N(C)C1=O 299772191 RVUFZAYREUWANW-JOCHJYFZSA-N 395.459 1.808 0 50 GDAA CC(C)Cc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)s1 821459798 GEUMLIABEBNZDY-UHFFFAOYSA-N 387.571 1.641 0 50 GDAA COC(=O)C[C@H](c1c(O)cc(C)n(C)c1=O)c1cc2cccc3c2n(c1=O)CC3 824134553 KUFZLDSFVWFWQW-HNNXBMFYSA-N 394.427 1.965 0 50 GDAA biogenic COC[C@@H]1CCCN1S(=O)(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 824371086 UWKOABZVUIHAOJ-SFHVURJKSA-N 395.525 1.545 0 50 GDAA COCCCn1cnnc1CNC(=O)c1ccc2sc3c(c2c1)CCNC3=O 670456171 BNVSYOAKHAUSCF-UHFFFAOYSA-N 399.476 1.745 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCC(=O)N1Cc1ccc(F)cc1 952962117 BBLLJNSODNZOMK-KRWDZBQOSA-N 398.500 1.846 0 50 GDAA COc1cc(S(=O)(=O)N2CCN(C)C(=O)[C@@H]2C(C)C)c(OC)cc1Cl 952967457 ZWWHTCKIBJXFKJ-HNNXBMFYSA-N 390.889 1.845 0 50 GDAA CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952869728 NLPMQXSAAQHDDU-CQSZACIVSA-N 399.494 1.384 0 50 GDAA Cc1cccc(N2CCN(CC(=O)Nc3csc4nc(=O)c(C)nn34)CC2)c1 1506409090 FWZGKBXHIBPJAV-UHFFFAOYSA-N 398.492 1.529 0 50 GDAA CC[C@@H](C(=O)N1CCCN(C(=O)CCc2csc(N)n2)CC1)n1cccn1 1529195958 SLMPFGQIXFZJOV-HNNXBMFYSA-N 390.513 1.567 0 50 GDAA Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)n[nH]2)cc1 1704303043 WDKFAVYQTBGLMS-YOEHRIQHSA-N 392.481 1.021 0 50 GDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1772706722 PEVOGTSMPLZUQY-CQSZACIVSA-N 393.509 1.354 0 50 GDAA COc1cc2nc(N3C[C@H]4COC[C@@H]3CN(CC3CC3)C4)nc(N)c2cc1OC 1772706018 PQOVLGBKOPEQCA-GJZGRUSLSA-N 399.495 1.776 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCc2cccnc2)c1 11873213 SERGQTOTRRVYDP-HXUWFJFHSA-N 396.491 1.530 0 50 GDAA COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 18136652 ILJUKVGRRDYMOG-HNNXBMFYSA-N 396.465 1.695 0 50 GDAA COc1ccc(CN2CCSCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 19761968 NZIRCKLSTBIXKV-SFHVURJKSA-N 395.569 1.231 0 50 GDAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cnccn4)ccn3n2)cc1 169775878 VJLJHQKMVAAJIR-UHFFFAOYSA-N 390.403 1.392 0 50 GDAA CSCC(=O)N1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@]2(CO)C1 1857702656 FXRPPVLDOMUJBO-APWZRJJASA-N 377.510 1.054 0 50 GDAA CN1C(=O)CCO[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@@H]21 1857706638 XWWBBWDNIFPNLN-BBRMVZONSA-N 380.828 1.112 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc3c(nc2O)CCCC3)[C@H]1c1cnn(C)c1 1857716791 FGRPMUMJJZRUKZ-OALUTQOASA-N 399.495 1.543 0 50 GDAA C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CCN1 237603729 QAFHSDJKBQEWGP-NSHDSACASA-N 375.288 1.184 0 50 GDAA Cc1cccc(N2C[C@H](C(=O)N3CCC(N(C)CC(=O)O)CC3)CC2=O)c1C 377231211 IQJLEVDJKAADIE-MRXNPFEDSA-N 387.480 1.664 0 50 GDAA NCc1nocc1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 912290659 YHFZIBRKRDOJEQ-UHFFFAOYSA-N 382.342 1.750 0 50 GDAA CN1Cc2nncn2C[C@@H]1c1nc(-c2ccc(CN3CCOCC3)cc2)no1 952892754 CIYIWZYJWIUFTN-MRXNPFEDSA-N 381.440 1.347 0 50 GDAA N[C@H]1CN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@]2(CCOC2)C1 1875291135 PAMSNPKAYGGTEC-WIYYLYMNSA-N 375.488 1.946 0 50 GDAA CO[C@H](C)[C@@H](CO)NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 1875311918 DMSBVHZQIPWZMU-VCTAVGKDSA-N 387.274 1.528 0 50 GDAA COC(=O)/C=C/C(=O)N1CCC[C@@H](c2nnc3n2C[C@H](C(F)(F)F)CC3)C1 1875380041 CXBWPYNLWBZYAM-BYAJROORSA-N 386.374 1.838 0 50 GDAA COc1cccc(N2C[C@@H](NC(=O)N3CCO[C@](C)(C(F)F)C3)CC2=O)c1 888101443 WEYHMPPAXVEROO-SGTLLEGYSA-N 383.395 1.866 0 50 GDAA O=c1c2ccccc2ncn1[C@@H]1CCCN(Cc2cc(=O)n3nccc3[nH]2)C1 1775996904 MJAWFSJVARXDFR-OAHLLOKOSA-N 376.420 1.570 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](N[C@H](C)c3ccc(-n4cncn4)cc3)C2)cc[nH]1 2325785129 DJLIHJGQRJRKFI-OLMNPRSZSA-N 394.483 1.075 0 50 GDAA O=C(CCn1cnnn1)N[C@H]1CCCN(C(=O)c2cccc(-c3ccc[nH]3)c2)C1 2325869638 WUFIGWYYUHRPCT-KRWDZBQOSA-N 393.451 1.479 0 50 GDAA C[C@@H]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1-c1cnn(C)c1 2325872772 MMBNHQOFMASARZ-BSWAZPDLSA-N 396.495 1.682 0 50 GDAA COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 912559 ISVCEYPPQBNHJR-UHFFFAOYSA-N 378.406 1.829 0 50 GDAA COc1ccccc1N1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 1461823 QQNHHWRZABQKEK-UHFFFAOYSA-N 392.459 1.833 0 50 GDAA CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4250530 ABKGCRFZIRUHBM-UHFFFAOYSA-N 395.419 1.400 0 50 GDAA COc1ccc(Cc2nnc(SCC(=O)Nc3nncs3)n2C)cc1 4736070 YDPSBAPTPCCDDU-UHFFFAOYSA-N 376.467 1.997 0 50 GDAA O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc2nn[nH]c2n1 416174693 GZPIDLCXZNPYFS-LLVKDONJSA-N 379.342 1.953 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 65363873 KRTGHYRMXCNNJB-UHFFFAOYSA-N 375.454 1.254 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN3CCC(OC)CC3)C2=O)c1OC 67769475 YVLHKNMALLNWSR-OAQYLSRUSA-N 392.496 1.668 0 50 GDAA O=C1OCCCN1CCNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 77517528 URZSAWWEQKJZQO-UHFFFAOYSA-N 381.860 1.800 0 50 GDAA CC(C)(C)c1ccc(CN2CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C2)cc1 328604665 KTLVMCOCKMQINT-KRWDZBQOSA-N 398.525 1.531 0 50 GDAA Cc1nc([C@@H]2CN(c3nccc(N[C@H]4CCCO[C@@H]4C(C)C)n3)CCO2)n[nH]1 328652608 WMPBVZBEZZSYNK-YQQAZPJKSA-N 387.488 2.097 0 50 GDAA Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)c(OCCN(C)C)c1 364531291 UPRRVSJXKOHCBL-GOSISDBHSA-N 375.469 1.511 0 50 GDAA O=C(NCc1cnn(-c2ccccc2)c1)c1cn(CC[C@@H]2CCCCN2)nn1 77319299 QPWFMNSCLNPRLU-KRWDZBQOSA-N 379.468 1.926 0 50 GDAA CCn1cc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)n1 72428322 MTCLNRRWHKFDSZ-SJORKVTESA-N 380.514 1.101 0 50 GDAA c1cc([C@@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)N2CCOCC2)ccn1 72429148 BNVLHXODUUHPKW-HXUWFJFHSA-N 393.495 1.708 0 50 GDAA NC(=O)c1ncn2c(C(=O)NC[C@H](O)C3CCCCC3)cc(-c3ccco3)nc12 170805843 KAMZSSMCCKSVMF-HNNXBMFYSA-N 397.435 1.759 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 456233691 YYEVWZZMBGORRT-QEEYODRMSA-N 386.496 1.129 0 50 GDAA c1ccc(-c2nc3c(c(N4CCC(NCc5nnn[nH]5)CC4)n2)CCC3)cc1 95501326 LDIAZLKUPGXYDC-UHFFFAOYSA-N 376.468 1.904 0 50 GDAA COc1cc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)ccc1C 96160875 DGFJDSUNTINHES-IIBYNOLFSA-N 386.448 1.789 0 50 GDAA COc1cccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 95360203 QUMHSIOEMJWYMF-CTNGQTDRSA-N 389.540 1.475 0 50 GDAA Cc1ccc(C(=O)OC[C@@H]2O[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 245238401 NCZXONSTQRPLBZ-NYUBLWNDSA-N 386.400 1.764 0 50 GDAA biogenic O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1Cc2ccccc2CN1 178125822 YQZSLFLKHFULOK-OAHLLOKOSA-N 387.452 1.082 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 245020824 MIUJLSMULFUXEZ-WCAYHLDQSA-N 385.416 1.770 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 178267809 UMIIFMFOCVVSSE-SNVBAGLBSA-N 394.225 1.482 0 50 GDAA CC(C)CN1CCC(NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)CC1 179479827 ZVUIMQOVEROXBC-UHFFFAOYSA-N 390.509 1.732 0 50 GDAA CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 184050205 GTMAULZSFYCMPS-MRXNPFEDSA-N 384.473 1.146 0 50 GDAA CCNc1ncnc2c1cc(NC(=O)c1ccccc1F)c(=O)n2CC(=O)OC 390834982 ZTVZDOWHTNDVOL-UHFFFAOYSA-N 399.382 1.788 0 50 GDAA CNC(=O)c1noc(CNC(=O)N2CCC[C@@H](COc3ccccc3C)C2)n1 584902011 ZTRBDVPAYRJEOS-CQSZACIVSA-N 387.440 1.738 0 50 GDAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 952988488 MHWWHXZMXBAXFN-HNNXBMFYSA-N 395.463 1.569 0 50 GDAA CN(C)CCO[C@H]1COCC[C@@H]1NS(=O)(=O)Cc1cccc(Cl)c1 1565530440 KBLHMCHUVHJZQN-HOTGVXAUSA-N 376.906 1.495 0 50 GDAA NC(=O)c1ccc(N2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)nc1 270560762 KWPMLEBKSMKPTK-SFHVURJKSA-N 380.448 1.647 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CCO1 272816762 UCHOWTNQKJSXQI-CPUCHLNUSA-N 376.457 1.279 0 50 GDAA CCOCCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccncc1 277098268 LKNKJCISTZFXRK-UHFFFAOYSA-N 385.467 1.197 0 50 GDAA Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(OCC(F)F)ccn2)cn1 278532273 DMKAXTUDSASSOX-RXBISOJRSA-N 384.408 1.405 0 50 GDAA Cn1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)n1 745484793 GMAQIPNSCZGRJN-GFCCVEGCSA-N 398.510 1.660 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)NCc3nnc4n3CCC4)c(C)s2)n[nH]1 1506406775 GSNTXXUFNVNQFY-UHFFFAOYSA-N 378.483 1.771 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)n(C)n2)CC1 12433018 XYXHMPQTBWEFCT-SFHVURJKSA-N 389.544 1.961 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(Br)c1 12436544 WKJCWCYWGAZBJM-WVZRYYJFSA-N 399.237 1.835 0 50 GDAA CN1CCCCC[C@@H]1C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 12582740 NRHRTQXQDGYVOV-HXUWFJFHSA-N 390.572 1.842 0 50 GDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nn2)n1 13009284 KNHSLXANKOQXCP-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2cnn(C)c2C)[C@H](c2ccccc2F)N1C 14964400 RBRRZIOJDKPLNG-SZMVWBNQSA-N 388.443 1.718 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc3oc(O)nc3c2)CCN1c1ccc(F)cn1 1857678105 BIMBXKSNSZSJFT-NSHDSACASA-N 392.412 1.967 0 50 GDAA CCn1cc(CN(C)C[C@]2(O)CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)cn1 1857711158 KRSIIWIPQQXZIV-OAQYLSRUSA-N 396.495 1.878 0 50 GDAA Cn1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1=O 1857726765 BEABOWBTOVICQV-LZJOCLMNSA-N 379.416 1.300 0 50 GDAA COc1cnc(C)cc1-c1nc(C)nn1-c1cc(S(N)(=O)=O)ccc1F 1857729741 GAPVQEIRUDZPHY-UHFFFAOYSA-N 377.401 1.741 0 50 GDAA C[C@H]1CN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CCN1 237572369 KTHWITPUWIWDSH-NSHDSACASA-N 389.315 1.822 0 50 GDAA O=C(C1CCC1)N1CCN(Cc2nc3ccccc3[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 247828025 JURQBGDJFLXLQQ-SJORKVTESA-N 388.493 1.173 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](c3cccnc3)N[C@@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 249694926 PWCGTCTWFAQBOZ-IAGYGMIVSA-N 379.416 1.416 0 50 GDAA COC(=O)c1cc(Br)c(CN=c2[nH][nH]cc2C(=O)N(C)C)n1C 1875286058 DFLWETNDLNUKSW-UHFFFAOYSA-N 384.234 1.033 0 50 GDAA O=S(=O)(c1ccc(OCCn2cnc(C(F)F)n2)cc1)N1CCOCC1 1875253584 YUOIORIDWZZFGJ-UHFFFAOYSA-N 388.396 1.316 0 50 GDAA Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCNCC4)nc3)cn2)n1 1875302034 XNEFJABPQOLDQC-UHFFFAOYSA-N 377.452 1.941 0 50 GDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@@H](CO)[C@H](CCO)C1 1875318605 IYLWJDVITHHFRH-NEPJUHHUSA-N 376.379 1.777 0 50 GDAA COc1ccccc1-c1cc(N(C)C(=O)c2nnn([C@H]3CCNC3)c2C)n[nH]1 2325756585 XLUYQNDVIFMEMY-ZDUSSCGKSA-N 381.440 1.796 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)C1 2325889520 UYBYEOOVRBPXHM-LBPRGKRZSA-N 381.454 1.006 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356158215 ZHYZNDNPWOSACI-PMACEKPBSA-N 391.489 1.955 0 50 GDAA O=C(NC1CCCC1)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)OCCO2 222022851 VXGAVWPNVFNYQE-ORAYPTAESA-N 392.477 1.670 0 50 GDAA Cc1cc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)nn1C 170625651 OWEJFFORVKBFHF-INIZCTEOSA-N 394.435 1.702 0 50 GDAA O=C(O)c1cnc2c(c1)n(CCN1CCCC1)c(=O)n2CCc1ccccn1 55282626 HIPPVEJSLAYHLM-UHFFFAOYSA-N 381.436 1.630 0 50 GDAA O=C1CCc2cc(OC[C@@H](O)CN3CC[C@@](CO)(c4ccccc4)C3)ccc2N1 419269363 BLJCBXBBANHBII-WMZHIEFXSA-N 396.487 1.947 0 50 GDAA Cc1nc2ccccc2nc1CN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 77539348 PCFRVIISFAQBBA-UYAOXDASSA-N 377.448 1.698 0 50 GDAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCC(O)CC2)nc1 67784311 RPXPACDCJFWYPZ-KRWDZBQOSA-N 383.448 1.955 0 50 GDAA O=CN1CCN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)CC1 11814334 SAHOHXBEJJKSNT-FQEVSTJZSA-N 375.513 1.576 0 50 GDAA Cc1cc(C)cc(CCC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1 65468065 GXBDJJLDUHRSLY-UHFFFAOYSA-N 379.526 1.721 0 50 GDAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)cc1 170613231 XWJUPOBQKBPMOT-DZGCQCFKSA-N 390.527 1.762 0 50 GDAA CCn1ncc(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1C 216131582 MMNXEZPOPSJFLR-UHFFFAOYSA-N 376.482 1.830 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H]1O)c1cccnc1 77379211 UJHYLZBZRIIVKC-NVXWUHKLSA-N 383.477 1.898 0 50 GDAA O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@H](O)C1 170609883 KSAJPSLYKWLECN-CABCVRRESA-N 393.509 1.563 0 50 GDAA O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)c3ccc(F)c(Br)c3)C2)N1 279126211 VIQKBCLCOXLXRD-IUODEOHRSA-N 386.221 1.296 0 50 GDAA CC(C)[C@@H](NC(=O)c1cn(C2CCNCC2)nn1)c1nc(-c2ccncc2)no1 236718437 NUZCIVKQLMVDOR-MRXNPFEDSA-N 396.455 1.775 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 31949897 IULYMLJKBOMKID-QGZVFWFLSA-N 393.509 1.097 0 50 GDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1CCCN1S(C)(=O)=O 77377132 OBTYDWTVYNVONA-LJQANCHMSA-N 393.553 1.781 0 50 GDAA COC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)c1 77440027 OUELZZZMXMLYKD-UHFFFAOYSA-N 382.416 1.966 0 50 GDAA COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@](C)(N)c2ccccc2)C1=O 262895880 PADKTGYTGWDSGX-KUHUBIRLSA-N 387.461 1.630 0 50 GDAA CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77387440 XZXDBMOLYCBIDT-JTQLQIEISA-N 395.510 1.140 0 50 GDAA CCN1CCC(N2CCC3(CC2)CN(CCN(C)CCOC)C(=O)O3)CC1 72448043 YHBLWLBWNFCJRV-UHFFFAOYSA-N 382.549 1.336 0 50 GDAA CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 44378650 PUBYOBHIRQDURV-OAHLLOKOSA-N 380.514 1.049 0 50 GDAA COc1cccc(OC)c1CNC(=O)N1CCC(O)(CN2CCCC2)CC1 426507885 NKNVSACJCAILES-UHFFFAOYSA-N 377.485 1.836 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 426583885 ALZVFOSTRJLNPS-SFHVURJKSA-N 383.496 1.976 0 50 GDAA COCCN1CCN(Cc2ccc(F)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 91475943 DSECCBQERSSEOG-CVEARBPZSA-N 376.881 1.409 0 50 GDAA CCc1nnc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)o1 95525644 WPSUFOUEWBQSDR-CYBMUJFWSA-N 382.428 1.458 0 50 GDAA COc1ccc(CN(C)Cc2nc(C)no2)c(OC[C@H](O)CN2CCCC2)c1 95522286 ROWPJTIINXJKEQ-QGZVFWFLSA-N 390.484 1.854 0 50 GDAA Cc1cc(N2CCC(N[C@@H](C)c3nnn[nH]3)CC2)nc(-c2ccccc2O)n1 95517141 XRJAMGYETUUJIU-ZDUSSCGKSA-N 380.456 1.990 0 50 GDAA CC(C)[C@@H](C)NC(=O)N1CCC(n2cc(CN3CCCNCC3)nn2)CC1 23159545 HEKNATAUGQKNRP-MRXNPFEDSA-N 377.537 1.464 0 50 GDAA O=C(c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)N1CCOCC1 239203275 SBJRNAWSEXDNBF-XREYTECCSA-N 378.428 1.717 0 50 GDAA O=C(c1ccc(=O)[nH]c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95520419 DLKBLPRXWINKAH-UHFFFAOYSA-N 381.436 1.024 0 50 GDAA O=C(O)[C@]12CN(Cc3ccc(-c4nnn[nH]4)cc3)C[C@H]1CN(CC1CCC1)C2 96179632 LREGAECZNSRHQU-YLJYHZDGSA-N 382.468 1.485 0 50 GDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(CC(=O)NCc3ccco3)C[C@H]21 95508296 KPWFRXRRFOMGII-OXQOHEQNSA-N 386.404 1.467 0 50 GDAA Cn1ccc2c(OCC(=O)NCCS(=O)(=O)N3CCSCC3)cccc21 253408062 KJIPOUPBQMHVSA-UHFFFAOYSA-N 397.522 1.052 0 50 GDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc(S(N)(=O)=O)c1C 299752723 VEFWVKIROQMVDC-YUELXQCFSA-N 380.466 1.809 0 50 GDAA Cc1cc2cc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc2[nH]1 288695617 RHVDDQSRJFSLJR-UHFFFAOYSA-N 383.496 1.926 0 50 GDAA COc1ccc(-c2ccc(C(=O)O)c(N3C[C@H]4COC[C@@H](C3)C(=O)N4)n2)cc1 1940197605 CAFHVQDNUZPIFA-KGLIPLIRSA-N 383.404 1.407 0 50 GDAA CC(C)c1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nn1 299795035 KWKWMDLYSOOZEA-IAGOWNOFSA-N 375.450 1.155 0 50 GDAA CCc1ncc(C(=O)NCC2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cn1 952974207 CSDQNZHMEOLEEL-LJQANCHMSA-N 388.512 1.949 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)COc1ccc(-n2cnnn2)cc1 952873416 YSYFMLQKPRJFCA-UHFFFAOYSA-N 392.379 1.269 0 50 GDAA CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2nocc2C)cc1F 1475785293 YJASWHXEUNXFKM-UHFFFAOYSA-N 377.419 1.362 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccccc2Br)C1=O 278690862 JGDJONFEDSFMLD-VFZGTOFNSA-N 384.230 1.968 0 50 GDAA CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)n1 170593940 SKSVGOSOIZKQHR-STQMWFEESA-N 378.477 1.026 0 50 GDAA N#C/C(C(=O)NC1CC1)=c1/s/c(=C/c2ccsc2)c(=O)n1-c1ccccc1 192934867 XWVFQOXRFTTWFI-GPCTYAPCSA-N 393.493 1.742 0 50 GDAA O=c1cc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)c2cccc3c2n1CCC3 1616090878 BCJMMVWKRHZBJN-PXNSSMCTSA-N 376.460 1.773 0 50 GDAA CSc1nc(N)cc(N2CCC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)n1 1506423531 FVPBWCKJJPUDMH-GFCCVEGCSA-N 375.502 1.469 0 50 GDAA CN1CC[C@]2(C(=O)NCCn3cccn3)CCCN(C(=O)C3CC=CC3)[C@H]2C1 1775981960 FBBRSDFPYTYKPP-GHTZIAJQSA-N 385.512 1.278 0 50 GDAA CN(c1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1)S(C)(=O)=O 1772711279 XGAXBMMOODLYNQ-UHFFFAOYSA-N 379.482 1.167 0 50 GDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(CCCc2ccccc2)nn1 12053704 RMAISMHHVGOTEW-KRWDZBQOSA-N 386.452 1.705 0 50 GDAA COCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 12382900 JOMQBXMXMCWADW-UHFFFAOYSA-N 398.525 1.982 0 50 GDAA COC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 13324224 HAKYSRVIDGPZGN-UHFFFAOYSA-N 377.422 1.524 0 50 GDAA CNC(=O)c1nn(C)c2c1C[C@@H](NC1CCN(Cc3ccccc3)CC1)CC2 14534395 UVSSHLDWRCSLRR-SFHVURJKSA-N 381.524 1.891 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C)o1 15065351 LKRGBYRRENJYRH-GOSISDBHSA-N 385.464 1.994 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 19812249 JFWHEMOWQYUVSV-UHFFFAOYSA-N 387.505 1.797 0 50 GDAA Cc1nc(C(=O)N2CCn3ncc(Cl)c3C2)nc(N2CC[C@@H](N)C2)c1C 1857531324 IAZNTXUOXIMEOF-GFCCVEGCSA-N 375.864 1.137 0 50 GDAA O=C(NCCc1cn[nH]c1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857671862 UQAVXAOBEQHCLH-HNNXBMFYSA-N 396.476 1.564 0 50 GDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@]5(C)CC56CCNCC6)(C4)C2)C3)n1 1857685418 VXHPKVIBPDXGKS-VYNRCINGSA-N 384.528 1.925 0 50 GDAA Cc1cc(CC(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)CCO3)on1 1857705645 PCJLZBNAPCVIHQ-UHFFFAOYSA-N 375.469 1.936 0 50 GDAA COC(=O)CCCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857720628 CGMBPKOEEHMDBB-PXNSSMCTSA-N 392.500 1.518 0 50 GDAA O=C(CCc1cnccn1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857724535 GONSIMNIQOHUOQ-FPOVZHCZSA-N 397.479 1.105 0 50 GDAA CCc1cccc(C)c1NC(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857727166 MKXDEDMXMRRALZ-SQNIBIBYSA-N 388.512 1.999 0 50 GDAA CCS(=O)(=O)N1CCc2ncc(NC(=O)Cn3nc(C)cc3C)cc2C1 1875249944 LLQZFLBDYTVPHJ-UHFFFAOYSA-N 377.470 1.241 0 50 GDAA COc1ccccc1-n1cc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)cn1 212431653 IIVPSWNVRYERIL-ICSRJNTNSA-N 385.512 1.064 0 50 GDAA CN[C@@H]1CCCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C1 133565830 HVJTVXRZDCYUJB-SECBINFHSA-N 394.266 1.060 0 50 GDAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 249474728 TYAHHBICUQCPTQ-YOEHRIQHSA-N 397.522 1.693 0 50 GDAA CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 20203151 VCZKDTOUFKTMRK-KRWDZBQOSA-N 387.459 1.391 0 50 GDAA COc1ccc([C@@H](NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2nccn2C)cc1 498529661 QZUPOQUSGLLFAD-KZNAEPCWSA-N 397.479 1.780 0 50 GDAA CN(C)CCN1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 265895487 LVBPNXNOTXUCQF-NRFANRHFSA-N 388.556 1.277 0 50 GDAA CCN(CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(C3CCCC3)C2)C1 1875293684 ZHUBHXOGUQPWDX-HKUYNNGSSA-N 378.561 1.700 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 1875302000 WICQRFVPKBSILF-UKRRQHHQSA-N 379.482 1.197 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)c1ccco1)C2 1875395562 DYXMWSKBFFUIRG-HNNXBMFYSA-N 383.452 1.078 0 50 GDAA Cc1cc2ccc(C(=O)NC[C@@H]3CN(C(=O)Cn4cnnn4)CC[C@H]3C)cn2c1 1875310144 GDPQWNPGVQJITM-NVXWUHKLSA-N 395.467 1.149 0 50 GDAA CCN(CC)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 891779298 YPKGTTICZGSFSI-UHFFFAOYSA-N 394.483 1.853 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1F 1079928 GHDMFBSPUSYMKH-GZMMTYOYSA-N 392.408 1.615 0 50 GDAA O=C(O)[C@@]1(Cc2ccccc2)CCN(c2nc3ccccc3n2CCO)C[C@H]1O 2100539495 LFTIRYHRTXTASZ-DENIHFKCSA-N 395.459 1.913 0 50 GDAA CN(CCN(C)C(=O)c1noc2c1COCC2)CC(=O)NCCC(C)(C)C 2325794320 YPEXGPOKCPNAKU-UHFFFAOYSA-N 380.489 1.304 0 50 GDAA C[C@@]1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=COCCO2)C3)OCCc2ccccc21 2325794455 CEIIDOZFPWGBJV-SAJUPQAESA-N 398.459 1.468 0 50 GDAA O=C(NC[C@]1(CO)CC12CCNCC2)c1c[nH]c2ncc(Br)cc12 2325795375 CHCKVHKQQCEAKJ-KRWDZBQOSA-N 393.285 1.807 0 50 GDAA O=C(c1cccn1CCN1CCOCC1)N1Cc2ccc(-c3nn[nH]n3)cc2C1 2325808038 WNEGKLDUZSVQOZ-UHFFFAOYSA-N 393.451 1.156 0 50 GDAA Cc1nn(C)cc1C[C@@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)C(=O)O 2325877206 MKLRNWDZNMCAPC-MRXNPFEDSA-N 386.383 1.877 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCNC(C)=O)C[C@H]1Nc1ncnc(C)c1C 2356138962 UETLUVSFWWYMDR-RCCFBDPRSA-N 391.516 1.722 0 50 GDAA CNC(=O)c1[nH]cnc1-c1nnc2n1[C@@H](C)C(=O)N(Cc1cccc(F)c1)C2 2356147080 HCNFWXRHQXIQSS-JTQLQIEISA-N 383.387 1.270 0 50 GDAA Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnc3cccnn23)on1 2356148967 CBPRHSQHWMIGEW-GJZGRUSLSA-N 380.408 1.084 0 50 GDAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(N3CCOCC3)nc2)C1=O 2356149940 YOJGBJIKUGQKOF-HXUWFJFHSA-N 387.484 1.320 0 50 GDAA Cn1cc(NC(=O)CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cn1 67805774 HXXMJXINPWWDND-UHFFFAOYSA-N 381.392 1.801 0 50 GDAA Cc1[nH]c2ccc(CNC(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)cc2c1C 67881573 UZURSDAWMYPMRZ-MRXNPFEDSA-N 377.510 1.910 0 50 GDAA O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1cc(-n2cccn2)ccn1 134595461 VTQKPOJUMZEVLM-UHFFFAOYSA-N 398.386 1.942 0 50 GDAA COc1ccc([C@@H]2CCCN2CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(OC)c1 248187082 INLANKZIKIHGPO-QFBILLFUSA-N 396.509 1.534 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNCc3cn4ccccc4n3)C2=O)c1 67966478 YBXZHIRWWFUHCL-JOCHJYFZSA-N 394.475 1.986 0 50 GDAA CCN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)CC 67621095 SQUNKKXHDPDTKO-UHFFFAOYSA-N 383.514 1.315 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 61719338 WDFZZYZRZUCRBD-UHFFFAOYSA-N 376.438 1.323 0 50 GDAA CC(C)c1nc(CNC(=O)c2ccc(NCc3nnc4n3CCC4)nc2)no1 67457858 QABJRBPCOTWNOO-UHFFFAOYSA-N 382.428 1.668 0 50 GDAA COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)O)C3)s2)cc1 34927258 GCOZTGRFAVBWBX-SNVBAGLBSA-N 390.421 1.736 0 50 GDAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)nn1C(F)F 2733073 AWTABOKIFZOOMJ-UHFFFAOYSA-N 390.437 1.795 0 50 GDAA CCc1ccccc1C(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72475608 DKFPEHXHSAQDRF-MSOLQXFVSA-N 390.505 1.499 0 50 GDAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CC2(CCNCC2)C[C@H]1C(=O)O 72143620 RZNSLPCADFDODA-ZDUSSCGKSA-N 376.844 1.965 0 50 GDAA O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@H](n2cncn2)C1 170600852 PZGOAFPPNYKSQC-INIZCTEOSA-N 389.481 1.125 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@@H]2COc3ccccc32)cn1 328639210 WTCNKYKIKJLPOP-CVEARBPZSA-N 375.450 1.377 0 50 GDAA C[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 329560348 FXVJECSZYOVZLU-UONOGXRCSA-N 398.510 1.073 0 50 GDAA C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)(N(C)C)C1 332997961 FGYFELKWYPLKIR-SPYBWZPUSA-N 391.520 1.234 0 50 GDAA CCCCN1CCN([C@H](C(=O)NCc2ccncn2)c2ccccc2)C(=O)C1=O 77437181 YIFFGBNQEGESGY-SFHVURJKSA-N 395.463 1.305 0 50 GDAA CCc1nc(CN2CCC[C@H](NC(=O)[C@@H](C)Oc3cccc(CO)c3)C2)no1 378321174 WUSYONCBBHVVFG-ZBFHGGJFSA-N 388.468 1.672 0 50 GDAA O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95498605 CTWXMXHQPHKPTG-GOEBONIOSA-N 376.420 1.616 0 50 GDAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2C(=O)CNC2=O)c1 91625320 PTAXBJXGCHITMQ-INIZCTEOSA-N 381.436 1.535 0 50 GDAA C[C@H]1CN(C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@@H]2CO)C[C@@H](C)O1 95387084 BIHOBCXSXOFGRP-PIKOESSRSA-N 385.508 1.817 0 50 GDAA O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95374867 DPCZJTFOZLDRGX-FXAWDEMLSA-N 377.488 1.939 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CN1Cc1ccoc1 95501172 SWWJNUCEJGYRDL-WBVHZDCISA-N 377.391 1.606 0 50 GDAA Cc1ncc(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)n1 95375544 PAIOCJNRNBMKNA-OAQYLSRUSA-N 385.512 1.642 0 50 GDAA Cc1ccc(SCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1 244691853 JKBPAOPZWDVRIP-CQSZACIVSA-N 388.493 1.550 0 50 GDAA COCC(=O)Nc1ccc(OC)cc1NC(=O)c1ccnc(-n2cnnc2)c1 952982192 NWYKFUKAYKZGIR-UHFFFAOYSA-N 382.380 1.508 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1ccccn1 408521562 YYDRMUOWMCBROB-MESXRHEYSA-N 399.472 1.724 0 50 GDAA C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1)c1cccnc1 276500541 PJZZGLKXHCOAKO-RHSMWYFYSA-N 384.484 1.480 0 50 GDAA Cc1nn2c(NC(=O)CCCc3nc(-c4ccncc4)no3)csc2nc1=O 1506404510 YPNBZWFIFRCKCR-UHFFFAOYSA-N 397.420 1.866 0 50 GDAA CN1CCN(C2(CNc3ccc(C(=O)N4CCOCC4)cn3)CCCC2)CC1 1529119744 KNZMPOAMOVGRPQ-UHFFFAOYSA-N 387.528 1.526 0 50 GDAA CCOCC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529117860 BIZKVNBTPZRRJB-UXHICEINSA-N 387.480 1.788 0 50 GDAA O=C1CO[C@H](C(=O)NCCCN2CCCC2=O)[C@@H](c2ccccc2Cl)N1 1529168119 XWPVRRLHAVSJTH-SJORKVTESA-N 379.844 1.025 0 50 GDAA CCc1ccc(NC(=O)C[C@@H]2Cc3c(O)nc(NCCOC)nc3NC2=O)cc1 1848443045 SXCLEGBHMNBAAP-ZDUSSCGKSA-N 399.451 1.943 0 50 GDAA CC(C)CN1C[C@@H]2CN(C(=O)c3[nH]nc(N)c3-c3ccccc3)C[C@@]2(CO)C1 1772810572 LPGKRBDJXVUTHW-IIBYNOLFSA-N 383.496 1.681 0 50 GDAA Cc1noc(CN(C)C(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)n1 1772816745 UERQLMCSVWKYBN-LBPRGKRZSA-N 377.470 1.435 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCCN(C(=O)[C@H]2CCOC2)CC1 1772709278 NKCYSYVKXSCNED-IBGZPJMESA-N 385.508 1.845 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCSC)c(C)c1C 11812840 JIRWTCVJQQBLHB-QGZVFWFLSA-N 393.553 1.872 0 50 GDAA Cn1cnnc1SCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12708838 AKYCLKVOHMVRSE-CQSZACIVSA-N 393.900 1.520 0 50 GDAA Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3ccccc3F)nn2)n1 19924142 ROVQJXJKKYCNAQ-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA CO[C@H]1CN(c2cc[nH]c(=N)n2)C[C@H]1NC(=O)c1cc(C)c(C)cc1Cl 1857531158 XYPWAFJVRSLMOT-CABCVRRESA-N 375.860 1.793 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2csc(=N)[nH]2)cn1 1857722031 CRQWHCKTBSHVQK-HOTGVXAUSA-N 390.513 1.357 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)o1 328613340 ROOGKLCXLMZAKX-HNNXBMFYSA-N 397.453 1.419 0 50 GDAA CC(=O)NCc1ccc(C(=O)Cn2c(=O)ccn(C3CCCC3)c2=O)s1 1875304307 GWAMKUBZZCUZBR-UHFFFAOYSA-N 375.450 1.706 0 50 GDAA Cc1nc(C2CCN(C(=O)c3ccnc4c3ncn4C)CC2)c2n1CCN(C)C2 1875394774 WKCPJFOTTPPYML-UHFFFAOYSA-N 393.495 1.938 0 50 GDAA CN(C)C(=O)C[C@@H]1CN(Cc2ccccc2-n2nnc3ccccc32)C[C@H]1O 1875398624 ZIGPSWMUNJMBSY-OXQOHEQNSA-N 379.464 1.692 0 50 GDAA Cc1onc(-c2ccsc2)c1C(=O)N1CCn2ncc(S(C)(=O)=O)c2C1 1875404767 UKOCIANSMCZHRK-UHFFFAOYSA-N 392.462 1.968 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2nccs2)CC1 888103520 KTMMGXUNTQIAIO-HZPDHXFCSA-N 391.541 1.758 0 50 GDAA C[C@@H]1CN(C(=O)CCNC(=O)c2ccc3n[nH]cc3c2)CCN1c1ccncc1 2325761321 HZULBKMOZNTMBU-OAHLLOKOSA-N 392.463 1.815 0 50 GDAA C[C@@H](N=c1[nH]c(C(=O)NC[C@H]2OCCOC2(C)C)cs1)c1ccn(C)n1 2325825466 QWCHBBGEQPXXME-BXUZGUMPSA-N 379.486 1.395 0 50 GDAA COC(=O)CCOC1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 2325826620 HFWUZHJURLGVDF-UHFFFAOYSA-N 376.413 1.251 0 50 GDAA Cn1cc(NC(=O)c2cn3cc(CN)ccc3n2)cc(Br)c1=O 2325859377 XJSFBWKJVVVJFR-UHFFFAOYSA-N 376.214 1.507 0 50 GDAA Cc1ncc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)s1 1857798099 OYPCXMHOUGDLCK-ZDUSSCGKSA-N 384.417 1.465 0 50 GDAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 902551 IDBYNEOXTXHERL-UHFFFAOYSA-N 385.445 1.919 0 50 GDAA O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356142977 PEOVYAAKTREKAB-KGLIPLIRSA-N 399.369 1.699 0 50 GDAA COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)C3CC3)C2=O)cc1 225399809 RXMFKWWNBMVKLI-FQEVSTJZSA-N 388.468 1.015 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCc1nc2ccccc2[nH]1 55270382 MPRVMHVCBWVUKA-LJQANCHMSA-N 391.475 1.612 0 50 GDAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 24611963 NOSGXJPQPNOCBH-UHFFFAOYSA-N 379.526 1.311 0 50 GDAA CCN(CC)S(=O)(=O)N1CCn2nc(-c3nc4ccccc4n3C)cc2C1 65434936 QYRBJKBXWNGGRF-UHFFFAOYSA-N 388.497 1.839 0 50 GDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H](CO)NC(C)=O)CC2)c1 67935258 XWQFKLOKYBTZQD-GOSISDBHSA-N 386.452 1.288 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 67755392 PNCNCDALLRCRRV-KRWDZBQOSA-N 381.454 1.002 0 50 GDAA COC(=O)c1cc(CN2CCN(c3nc(C(N)=O)cs3)CC2)ccc1O 65423861 NTNSDJAUBWZDSU-UHFFFAOYSA-N 376.438 1.056 0 50 GDAA Cn1c(CCNC(=O)C[C@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21 409413140 AIDNKYQRBRMWEZ-OAHLLOKOSA-N 395.419 1.336 0 50 GDAA COc1cccc(C[C@H](C(=O)NCC(=O)c2ccccc2)n2nnnc2C)c1 170614339 UTWZNGLXCPOEDK-GOSISDBHSA-N 379.420 1.773 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2nccc(N[C@H]3CCCO[C@@H]3C(C)C)n2)C1 328631558 KQDPLZBRLLHSRJ-HLLBOEOZSA-N 397.545 1.610 0 50 GDAA COc1ccc(OC)c([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)c1 77424071 RKNNZWAXIINPBM-LBPRGKRZSA-N 375.425 1.350 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(O)=N4)C2)n1 328615164 XYQQVXRNMOQSSW-KRWDZBQOSA-N 392.437 1.539 0 50 GDAA NCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71551642 ZELJQDKVJKGZPX-OAQYLSRUSA-N 399.583 1.955 0 50 GDAA CC(=O)N(Cc1ccc(NC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1)C1CC1 330051011 MTBIEPKPOZGUIO-UHFFFAOYSA-N 395.463 1.881 0 50 GDAA O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@]2(CCCCO2)C1 365492615 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391.518 1.575 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c(O)n1 1565516112 HJRLHSAZEQIJOC-GJZGRUSLSA-N 378.454 1.289 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H](CO)[C@H](O)C1 170091309 JCMDMGNFDKSDMH-XHDPSFHLSA-N 380.242 1.655 0 50 GDAA Cc1cnc(C(=O)N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)cn1 1614377327 PQKXRPXJPNWVOB-PMACEKPBSA-N 399.470 1.322 0 50 GDAA CCc1nn2c(=O)cc(CN(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)nc2s1 1704345510 YMIWXHIRHVBHCI-MBNYWOFBSA-N 375.498 1.402 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCCNC(=O)C2)ccc1F 1704336314 LMGARQYPJQCJKJ-UHFFFAOYSA-N 376.388 1.517 0 50 GDAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCC2(CC1)OCCc1ccsc12 1704345143 WGUKSQCQILSYCF-HNNXBMFYSA-N 377.510 1.349 0 50 GDAA CN1CC[C@]2(C(=O)NCCCn3ccnc3)CCCN(C(=O)c3ccc[nH]3)[C@H]2C1 1772816148 KSLAEFUFNYCYTL-GHTZIAJQSA-N 398.511 1.344 0 50 GDAA CC(C)CCN1CCN2C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H]2C1 14743005 PFTSAZUOFSFWFV-ZWKOTPCHSA-N 375.538 1.977 0 50 GDAA Cc1cc(C)nc(CCNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)n1 15064860 ZQKMJRICHYKRCJ-IBGZPJMESA-N 395.507 1.185 0 50 GDAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCOCC3)nn2)ccc1CC 16647630 JWCQSDWIVMNPNK-UHFFFAOYSA-N 376.482 1.841 0 50 GDAA Cc1noc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)o2)c1C 1857669668 MWPDUPRZHCQQOF-YVEFUNNKSA-N 396.421 1.663 0 50 GDAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)N2CCc3ccccc3C2)C1 1857704088 CVLMVCKPGHUVSC-HKUYNNGSSA-N 377.510 1.118 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857711623 ATWUQOSXBBZLCM-IRXDYDNUSA-N 378.498 1.421 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2cscn2)CC[C@H]1O)c1cccn1C1CC1 1875248393 OKPHOVRHXRFJSU-XGWLTEMNSA-N 388.493 1.855 0 50 GDAA O=C(CCc1ccncc1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 112694272 WDPXWOLHZDLWAX-HXUWFJFHSA-N 378.476 1.964 0 50 GDAA Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)C2=O)n(C)n1 329509395 MGOGYCPXVQLVST-BZSNNMDCSA-N 399.539 1.804 0 50 GDAA CCCc1ccc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)COC)[C@@H]3O)o1 1704312407 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GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)cc1 35827685 PSVVEZSHBRVDBI-UHFFFAOYSA-N 388.493 1.589 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)oc2ccccc2c1=O 2325768457 FJVXHAGAXYMVGP-RDJZCZTQSA-N 397.475 1.822 0 50 GDAA O=C1CCC[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@@H]2N1 2325782703 XTVWRVAQWXHPFV-JSGCOSHPSA-N 386.420 1.353 0 50 GDAA O=C1CCC[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@@H]2N1 2325782704 XTVWRVAQWXHPFV-OCCSQVGLSA-N 386.420 1.353 0 50 GDAA O=C1CC2(CNC2)[C@@H](C(=O)NCCc2c[nH]c3c(F)cc(Cl)cc23)CN1 2325800962 OUUMOABEDWRHAL-CYBMUJFWSA-N 378.835 1.345 0 50 GDAA Cc1ccnc(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccn5)c(=O)c4cc3c2=O)c1 833886 SXDOXXTZKCOGOK-UHFFFAOYSA-N 398.378 1.298 0 50 GDAA COCCN(CCOC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1802316 XWLDKQHXBWVZHJ-KRWDZBQOSA-N 398.525 1.517 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccn4ncnc4c3)C1)CC2 2356138678 PDFWSUZVBMEJRJ-FQEVSTJZSA-N 377.452 1.706 0 50 GDAA Cc1cccc(N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1C 6702934 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COc1ccc(N2C[C@@H](Nc3nc(C)ncc3S(C)(=O)=O)CC2=O)cc1 95384797 VMMBGTZORYMATK-LBPRGKRZSA-N 376.438 1.415 0 50 GDAA CCn1cc(CN(CCOC)C(=O)C2CCN(C3CCOCC3)CC2)cn1 426465252 OPLGURQEYXZZFE-UHFFFAOYSA-N 378.517 1.769 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)CN1CCO 91325916 BLWIMUVRXVJQML-OAQYLSRUSA-N 384.480 1.719 0 50 GDAA CSc1ccc(CN2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)cc1 95367270 ZHPIOAJCCBUYAF-SJLPKXTDSA-N 399.582 1.474 0 50 GDAA COc1ccc(CN2CCC(O)(CO)CC2)cc1OC[C@H](O)CN(C)C(C)C 95517028 TYGDITIDQDCJAF-GOSISDBHSA-N 396.528 1.094 0 50 GDAA Cc1nnc(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)o1 95519555 GYLBVURZDRVCOJ-UHFFFAOYSA-N 386.452 1.894 0 50 GDAA Cc1nn(CC(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c(C)c1C 91933130 VXONIKFIFSWLSH-FQEVSTJZSA-N 378.517 1.130 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 95500035 IPFAWHMNNFNBLM-INIZCTEOSA-N 378.436 1.574 0 50 GDAA CC(C)Oc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1 95366538 YNAVCOZEHRRDND-RTBURBONSA-N 375.513 1.402 0 50 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COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)C1 1506404481 ICTQOYJOJAWIER-CQSZACIVSA-N 380.470 1.772 0 50 GDAA COCCN1CCC(C(=O)N2CCCN(Cc3c(C)noc3C)CC2)CC1 1529126961 VFIQZSAMJGRXEC-UHFFFAOYSA-N 378.517 1.684 0 50 GDAA Cc1cc(C[C@@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)C[C@@H]2O)on1 1704312225 GAIIGQPGEKPYCP-QAPCUYQASA-N 377.872 1.831 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@]2(O)CCCNC2)ccc1F 1704327332 RPYZSKLGRCWWMV-LJQANCHMSA-N 392.431 1.400 0 50 GDAA Cc1ccc(N2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@]3(CN(C)C)C2)nn1 1775982065 GYHJYGIKEWOHQB-UGKGYDQZSA-N 394.523 1.639 0 50 GDAA CC1(C)C(=O)N(I)C(=O)N1I 5459786 RDZHCKRAHUPIFK-UHFFFAOYSA-N 379.923 1.729 0 50 GDAA in-vitro O=C(NCc1nc(-c2ccccc2)no1)c1cn(CCN2CCCCC2)nn1 12005016 NEEJJKHFUIHSSZ-UHFFFAOYSA-N 381.440 1.744 0 50 GDAA CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCC(=O)O 13895904 JVRNRSNQYKTQCD-RUDMXATFSA-N 385.170 1.492 0 50 GDAA O=C(NCCN1CCOCC1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 19774931 XYSWSCBQFFAFRD-JZJYNLBNSA-N 379.460 1.906 0 50 GDAA CN1CCN(CCOCCOc2ccccc2I)CC1 19792534 SYYMMZMYHNELCF-UHFFFAOYSA-N 390.265 1.934 0 50 GDAA COC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)[C@@H](C)O 19898309 UPFPFFPYKVHUSP-SNPRPXQTSA-N 398.481 1.073 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cnn(C)c3)C2=O)cc1 206254149 GLMIEDREOMPPPP-MRXNPFEDSA-N 385.424 1.311 0 50 GDAA COCCn1nc2c(c1C(=O)NC1CC3(CC(CO)C3)C1)C[C@@H](C)O[C@H]2C 1857528313 YJBPYMGKPFWPHE-CGPGXKHDSA-N 377.485 1.833 0 50 GDAA CNC(=O)Cc1nc([C@@H]2CCn3nccc3C2)n(Cc2ccccc2OC)n1 1857666819 MEQNBBFDZDHPHV-CQSZACIVSA-N 380.452 1.550 0 50 GDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCn1cnc2ccccc21 1857667751 VACAVWUWSUAIOK-UHFFFAOYSA-N 388.449 1.465 0 50 GDAA COc1cc2c(cc1-c1nccn1-c1cnn(CCCC(N)=O)c1)OCCO2 1857693928 SQDGEUIOUWQPFQ-UHFFFAOYSA-N 383.408 1.781 0 50 GDAA Cc1cc2[nH]cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)c(=O)n2n1 1857716620 CAMIZMGSHAYXFV-XYJFISCASA-N 393.447 1.275 0 50 GDAA CCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(Cl)ccc1OC)CC2 363561049 ZHOAWILOHNXOST-UHFFFAOYSA-N 376.844 1.922 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](O)[C@@](CC2CC2)(C(=O)O)C1 1704344863 PRDAGADWCUQQEE-AEFFLSMTSA-N 383.466 1.630 0 50 GDAA CCN(CC)C(=O)CN1C(=O)[C@]2(CCN(Cc3nccn3C)C2)c2ccccc21 2100543544 UPLDAADIPPPWHR-QFIPXVFZSA-N 395.507 1.779 0 50 GDAA O=C(N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)O)[C@@H]1CCn2c(Br)cnc2C1 2325828685 ODQXAJYWWLWSJW-VCOQNBBESA-N 380.242 1.433 0 50 GDAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@H]1CCCN2CCSC[C@H]12 928075402 OBTVLBVXQUADDI-FGTMMUONSA-N 388.537 1.839 0 50 GDAA CN1CCN(c2ccc(C(=O)N3CC[C@](O)(c4ccccc4)[C@@H](O)C3)cc2)CC1 2356138275 KQUCUBHFKPLKSS-GMAHTHKFSA-N 395.503 1.533 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1Nc1nccc(OC)n1 2356145720 SODLMPVGMLKAMR-ARFHVFGLSA-N 378.473 1.720 0 50 GDAA CN(CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)C(N)=O 2356147096 HRPMWQDDYYUQLL-NRFANRHFSA-N 379.464 1.961 0 50 GDAA O=C(OCc1ccccc1)N1CCCC[C@@H]1CS(=O)(=O)N1CC(CO)C1 864097136 KYGWVDJVIQXUSQ-QGZVFWFLSA-N 382.482 1.432 0 50 GDAA COC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@H]2C 69504953 HSVIINWFPKEOEQ-LLVKDONJSA-N 375.400 1.632 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)cc2F)cn1 328617862 DDAGVQIQDVKEON-MRXNPFEDSA-N 383.420 1.722 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2cccc(F)c2)cc(N2CCCC2)n1 65363752 JFCZGDNUDTXJBV-UHFFFAOYSA-N 379.461 1.915 0 50 GDAA O=C(CCCn1nnnc1CN1CCOCC1)NCCn1ccc2ccccc21 23337835 BFBIUWSCXBRMLG-UHFFFAOYSA-N 397.483 1.057 0 50 GDAA O=c1c2cc3c(=O)n(Cc4ccco4)c(=O)c3cc2c(=O)n1Cc1ccco1 20479706 TWALHURMENZHMA-UHFFFAOYSA-N 376.324 1.195 0 50 GDAA O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NC[C@@H](O)[C@@H]1CCOC1 436521711 GQBWIJGNYALCIA-YZGWKJHDSA-N 398.459 1.767 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H]2CCNC2)CC1 67908197 SGTHULVGGMSKLZ-IBGZPJMESA-N 379.508 1.942 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cnc(C)n3C)CC2)C1 67713071 PQRQQTPGGVOEIO-QGZVFWFLSA-N 377.533 1.168 0 50 GDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O 65363270 AVICNYCIZRUPHR-INIZCTEOSA-N 395.525 1.572 0 50 GDAA CNC(=O)c1cc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc2[nH]1 475824224 HZQDYSZLLGFKPX-UHFFFAOYSA-N 384.417 1.823 0 50 GDAA C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485856944 GHQJWLGBPUABTO-FZKQIMNGSA-N 395.415 1.089 0 50 GDAA CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)O 262485334 LBOUVKARQHZINP-UONOGXRCSA-N 390.436 1.674 0 50 GDAA CCCOc1cccnc1C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 375941323 NIAQSCVCJOAABE-UHFFFAOYSA-N 389.477 1.977 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 72442370 BIBVMABJHONQOU-UHFFFAOYSA-N 392.463 1.871 0 50 GDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 222500722 DIGAMSZKMAZMRG-ZFWWWQNUSA-N 377.441 1.275 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)CCCc1nc(-c3ccco3)no1)C2 426517843 NKAGKCUFPOXZPR-UHFFFAOYSA-N 398.423 1.527 0 50 GDAA Cc1cc(S(=O)(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n(C)n1 222764989 OSFGSPXZHCBTIY-JMLCCBQJSA-N 377.466 1.454 0 50 GDAA CCSc1ncc(-c2cn(C[C@@H]3CCCN(S(C)(=O)=O)C3)nn2)cn1 91594815 GEOLUPMWEDUOHZ-LBPRGKRZSA-N 382.515 1.519 0 50 GDAA O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cn(C2CCNCC2)nn1 238012403 XAHPFBVGFMFWGI-HNNXBMFYSA-N 383.374 1.685 0 50 GDAA Cc1cc(C)nc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)n1 96131835 HKWCIUVTGLYZNE-UHFFFAOYSA-N 384.532 1.353 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1C(=O)N1CCCC1 244723513 MCZZKWCVOYVRGZ-DLBZAZTESA-N 396.509 1.855 0 50 GDAA COc1cccc2c1OCCCN(Cc1nnc([C@H]3C[C@H](NC(C)=O)C3)n1C)C2 244899937 ZTGNBHUCXXSBBE-QAQDUYKDSA-N 399.495 1.991 0 50 GDAA C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(OCC(=O)O)c2)C1=O 299753230 XJCAACSPTREDOG-AWEZNQCLSA-N 398.415 1.970 0 50 GDAA O=C(O)CCCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 299741652 ABHONILSCOGIMJ-UHFFFAOYSA-N 396.387 1.756 0 50 GDAA C[C@H]1C[C@]2(CO)O[C@@H]2C[C@@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357345 NOAXTBKBXYRAED-TYNPMHHRSA-N 383.510 1.529 0 50 GDAA COc1ccccc1N1C[C@H](C(=O)N=c2cc3nc(C)cc(C)n3[nH]2)CC1=O 1940195171 HGFZVRYBTXQJSX-CQSZACIVSA-N 379.420 1.768 0 50 GDAA O=C(NCCn1ccnc1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71770982 YFOIGWYREXPCDZ-HXUWFJFHSA-N 396.539 1.771 0 50 GDAA CCCN1C[C@@H](NS(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1=O 670471183 VIGWAUKDQPYHHD-JTQLQIEISA-N 376.862 1.646 0 50 GDAA NCc1cccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)c1 1875315497 XJAMNJWXKMFGLR-UHFFFAOYSA-N 388.489 1.785 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(=O)c3ccccc3o1)C2 1073289993 OICLXNDYKRCDLI-OLZOCXBDSA-N 376.434 1.289 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 275584931 HCLRIDUEBSWNDG-NSHDSACASA-N 389.221 1.446 0 50 GDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)CCN1C(=O)COc2ccccc21 408513371 ZYLDVKIADWFDBO-CQSZACIVSA-N 376.409 1.284 0 50 GDAA O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cnn2cccnc12 276271482 TYSGSYWIJOUAKS-MRXNPFEDSA-N 385.374 1.929 0 50 GDAA O=C1CN(c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)C(=O)N1 1506429309 SYJCELMSAHWYPL-SFHVURJKSA-N 394.431 1.959 0 50 GDAA O[C@H]1CCCN(c2ccnc(N3CCN(c4nc5ccccc5o4)CC3)n2)C1 1529099364 WFXAJKWBPSXTNZ-HNNXBMFYSA-N 380.452 1.906 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)CN2CCCN(C)CC2)CC1 1704342597 AGAQVNNHSSRQQE-UHFFFAOYSA-N 387.524 1.723 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(S(=O)(=O)c2cnn(C)c2)CC1 1704344721 XHSAVRATBXRAKZ-UHFFFAOYSA-N 377.466 1.681 0 50 GDAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(C(=O)c3ccncc3)[C@H]2C1 1775983294 JUEDZDXWDVYXTB-GHTZIAJQSA-N 386.496 1.303 0 50 GDAA CN(CCc1ncon1)C(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772805247 KHRCKCIJCHUKEF-GFCCVEGCSA-N 377.470 1.169 0 50 GDAA O=C1CN(Cc2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc2)CCN1 11933054 CQIOJHIYJPOBHC-NRFANRHFSA-N 395.503 1.416 0 50 GDAA O[C@H]1C[C@H](Cn2cccn2)C[C@@H]1N=c1[nH]c(C2CC2)ncc1Br 1857530854 WIVQUFJCQSKRQA-SWHYSGLUSA-N 378.274 1.987 0 50 GDAA CN1CCN(C(=O)c2cccc(-n3ccnc3-c3cnn4cccnc34)c2)CC1 1857689092 DHHAJSHDMSSHFX-UHFFFAOYSA-N 387.447 1.970 0 50 GDAA O=C(c1ccn2ncnc2c1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857714479 BGMNXZOEEUJXCW-LZJOCLMNSA-N 389.415 1.644 0 50 GDAA COCCN1C(O)=N[C@@H]2CN(Cc3ccc4c(c3)sc(=O)n4C)CC[C@@H]21 328975748 WGJQEPIQUZCYAV-KGLIPLIRSA-N 376.482 1.419 0 50 GDAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1nonc1C)C2 11790798 IGJJOMAPHQMQGZ-UHFFFAOYSA-N 393.469 1.109 0 50 GDAA C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@H](C(=O)O)C1 262676905 UMTGHTUOUGLRLS-ZJUUUORDSA-N 385.342 1.786 0 50 GDAA Cn1cc(-c2ccnc(C3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)CC3)n2)cn1 912507001 JEDGMBPRLGBQJK-JENIJYKNSA-N 397.479 1.635 0 50 GDAA COc1ncccc1CN1CC[C@]2(C1)C(=O)N(CC(=O)N(C)C)c1ccccc12 2100544686 FKKSHOPVIFTDAU-JOCHJYFZSA-N 394.475 1.669 0 50 GDAA O=C(O)CCOc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)nc2O)cc1 2325732005 SPTXMRJUKSACPR-VUTUTYQISA-N 385.397 1.787 0 50 GDAA Cc1cc(C2CCN(c3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)CC2)n[nH]1 2325785990 XEKUJLHEUTXWQX-IAGOWNOFSA-N 385.516 1.393 0 50 GDAA O[C@@H]1[C@H](O)[C@H]2C[C@@H](N=c3cc[nH]c4ccc(I)cc34)[C@H]1C2 2325839967 KSXQXNHTODOLMQ-DKSMCMIJSA-N 396.228 1.803 0 50 GDAA O=C(Nc1cccc(Cn2cccnc2=O)c1)c1n[nH]cc1[C@H]1CCCNC1 2325859898 PBIVVJIVZANLHG-HNNXBMFYSA-N 378.436 1.734 0 50 GDAA CC(=O)NC1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)S1 859545 ZSEBOMQLLNSJLG-AWEZNQCLSA-N 389.886 1.832 0 50 GDAA COc1ccc(CCN2C(=O)[C@](NC(C)=O)(C(F)(F)F)N=C2O)cc1OC 2407099 ZCLJYTMWXFFOAF-OAHLLOKOSA-N 389.330 1.397 0 50 GDAA CCOC(=O)CN1CC[C@H]2[C@@H]1CCN2Cc1cnc(N2CCOCC2)s1 2356165396 GSFHWFCVORUWMH-HOTGVXAUSA-N 380.514 1.191 0 50 GDAA CCCNC(=O)CSc1nnc(SCCCN2CCN(C)CC2)s1 225566855 VWLUMUGTHBRWTJ-UHFFFAOYSA-N 389.616 1.886 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)NCCCn1ccc2ccccc21 20913887 PVOPELFGTUOQCS-UHFFFAOYSA-N 397.483 1.057 0 50 GDAA CC(C)Cc1nc([C@@H](C)NS(C)(=O)=O)n(-c2ccc3c(c2)OCCO3)n1 65463039 HATSMCSTTZJPQQ-GFCCVEGCSA-N 380.470 1.847 0 50 GDAA CC(C)NC(=O)CNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67723713 GFZUYTRRUGOYCV-NRFANRHFSA-N 375.513 1.778 0 50 GDAA Cc1c(S(N)(=O)=O)sc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1Cl 279189969 LGPWKORSSONESL-SCZZXKLOSA-N 377.919 1.666 0 50 GDAA COc1ccccc1N1CC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 157011211 PQSSRZDJERDBMG-HNNXBMFYSA-N 393.447 1.585 0 50 GDAA 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Cc1ccc([C@H](C(=O)O)N2CCC(N3CCN(CCO)CC3)CC2)cc1F 1506408479 SKZBCXJUYUKBPE-LJQANCHMSA-N 379.476 1.334 0 50 GDAA CO[C@@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1O 1704330900 LTITUZJUNJPMNK-FHLIZLRMSA-N 396.509 1.132 0 50 GDAA COc1nccnc1N1CCCN(C(=O)c2csc(CN(C)C)n2)CC1 1772813234 YINRMYUSSFYMGU-UHFFFAOYSA-N 376.486 1.356 0 50 GDAA O=C1CCCN1C[C@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 19973754 ZJDOKZPRPXXILV-INIZCTEOSA-N 388.497 1.078 0 50 GDAA CN(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1857716432 MKMOOPPQTQPBSW-LLVKDONJSA-N 383.433 1.803 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N(C)Cc2nc(C)no2)CC[C@@H]1N=c1[nH]nc(C)o1 1857720133 GEAIMZULNMXXQY-KKUMJFAQSA-N 392.460 1.526 0 50 GDAA COc1ccccc1CCC(=O)N1CCC([C@@H](O)CN2CCOCC2)CC1 1857720376 QYSNXBQTHYPPRH-IBGZPJMESA-N 376.497 1.560 0 50 GDAA Cc1nc(=N)[nH]cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857725889 RKJGCBJDUIBBAZ-YQQAZPJKSA-N 387.871 1.795 0 50 GDAA O=S(=O)(c1ccc(Br)o1)N1CC[C@H](CN2CCOCC2)C1 408214690 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CN(C)C(=O)[C@H]1c2cnn(C)c2CCN1C(=O)c1cc(O)nc2ccc(F)cc12 1875394376 HEHFNQORKKWJMX-GOSISDBHSA-N 397.410 1.641 0 50 GDAA CNC(=O)C12CC(CNC(=O)c3ccc4[nH]ccc4c3)(C1)OC21CCNCC1 1875393352 LDMSTJGGOIZDNK-UHFFFAOYSA-N 382.464 1.315 0 50 GDAA Cc1nc(C(=O)N2CCC(O)(C3CC3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403826 FTYZUWKEQXILND-QGZVFWFLSA-N 387.528 1.611 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cn2ccc3ccc(F)cc32)ncn1 1875400698 IXMNRYBIZWOFKI-HZPDHXFCSA-N 398.442 1.368 0 50 GDAA COc1cc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)ccc1OCCO 1875401820 SWPUAVMVDQJAKC-QWHCGFSZSA-N 389.452 1.752 0 50 GDAA Cn1ccc(Nc2ccc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)cc2)n1 1875402230 CPUSNXPMKRQGCI-ZTFGCOKTSA-N 380.452 1.930 0 50 GDAA CC(C)(C)N1CC[C@](F)(C(=O)NS(=O)(=O)c2ccc3nc(O)oc3c2)C1 842404876 AWLHAQCXZAFPMQ-MRXNPFEDSA-N 385.417 1.551 0 50 GDAA NC1CCN([C@@H]2CCN(S(=O)(=O)c3cnn(-c4ccc(F)cc4)c3)C2)CC1 2325798699 RCCPSQSSOMVLQB-QGZVFWFLSA-N 393.488 1.198 0 50 GDAA Cc1nc(C)n(CCCNC(=O)c2cc3c(s2)CCOC32CCNCC2)n1 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1.478 0 50 GDAA COc1nc(N2CCCCCC2)nc(N2CCC(N(C)C[C@H](C)O)CC2)n1 436449029 LVLMWKPUFMNDDW-HNNXBMFYSA-N 378.521 1.542 0 50 GDAA O=C(NCc1nnc2cccnn12)c1cnn([C@H]2CCCOC2)c1C(F)(F)F 1875293335 MPCXUGVDPRBLTM-JTQLQIEISA-N 395.345 1.621 0 50 GDAA C=CC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 1875370890 HSQPBMMQAAVCMH-ROUUACIJSA-N 383.492 1.764 0 50 GDAA Cc1nc(C)c(C(=O)N2CCC(N(C)C(=O)Cc3ncnn3C)CC2)s1 1875362293 ZBYVKOYDDMDVIM-UHFFFAOYSA-N 376.486 1.194 0 50 GDAA O=C(CC1CC(F)(F)C1)N1CCC[C@@H]([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)C1 1875322208 LZQQLQCEJRHGQU-CABCVRRESA-N 395.454 1.870 0 50 GDAA Cn1c(CC(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)nnc1-c1ccccc1 1875401446 YJCXZCVTRHBCDB-USXIJHARSA-N 380.452 1.177 0 50 GDAA Cn1ccnc1[C@]1(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)NC(=O)NC1=O 1775985516 GCQZGZHEXUKBTF-KRWDZBQOSA-N 386.799 1.020 0 50 GDAA C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)[C@@H]1C 2325887761 WMSIRNHJJWVUBG-XNJGSVPQSA-N 383.448 1.708 0 50 GDAA 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Cc1cccc(CN2CCN(C(=O)[C@@H](O)COc3ccccc3C)CC2=O)c1 72407554 YNJHYESSPCTHTF-IBGZPJMESA-N 382.460 1.914 0 50 GDAA COc1ccccc1N1CC[C@H](CNC(=O)NCCN2CCOC(C)(C)C2)C1 171217713 SVDJADFWCFLNNO-QGZVFWFLSA-N 390.528 1.932 0 50 GDAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(Br)cc2)C1=O 281901050 FRBHASQJDBDWPQ-BJOHPYRUSA-N 384.230 1.968 0 50 GDAA Cc1ccn(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 241810039 SCPNUWLXSSYWKJ-OAHLLOKOSA-N 377.466 1.731 0 50 GDAA O=C(O)c1csc(CCNC(=O)N2CCCN(c3ncccn3)CC2)n1 426677966 ZZSVTYVNINJKCM-UHFFFAOYSA-N 376.442 1.096 0 50 GDAA COc1ccc(CN2CCn3nc([C@H](O)c4nccn4C)cc3C2)cc1OC 221435917 CXRKADCNSWCBRN-IBGZPJMESA-N 383.452 1.731 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCN(c3ccc4cn[nH]c4c3)C(=O)C2)n(C)n1 82120123 OQLCRNOXYRBVOZ-UHFFFAOYSA-N 380.452 1.984 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@]2(CCCN(CC3CC3)C2)C1 426415294 HEOZXFFOSYDHBY-NRFANRHFSA-N 380.496 1.929 0 50 GDAA Cc1cc([C@@H]2CCCN2C(=O)NCCn2nc(O)c3ccccc3c2=O)no1 426633798 FYISTKXKGCXIFI-INIZCTEOSA-N 383.408 1.945 0 50 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CCOCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77406937 HIUYAGOFEQTMRV-QGZVFWFLSA-N 396.509 1.407 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72459009 MCWLCOWDWCPHQS-UXHICEINSA-N 399.516 1.822 0 50 GDAA CC[C@](CNC(=O)C1CCN(C(=O)N(C)C)CC1)(C(=O)O)c1ccccc1 263137111 ZHNSEROCJKXLMV-HXUWFJFHSA-N 375.469 1.929 0 50 GDAA Cc1cc2c(cc1C(=O)N1CCOC[C@@](O)(CN3CCCC3)C1)OCCO2 77353380 LUBSTEZTXNPHDT-HXUWFJFHSA-N 376.453 1.066 0 50 GDAA CCCC[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)Cn1cnnn1 82136878 HQHJLPXDAJLHDO-HNNXBMFYSA-N 376.848 1.761 0 50 GDAA Cc1ccc(CN(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)o1 95359582 JQMOOFUHBISGQB-OAHLLOKOSA-N 378.450 1.927 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3ccccc3)C2)CCC1=O 91519403 MQNUBDCGVOJFLU-QFIPXVFZSA-N 387.524 1.996 0 50 GDAA OCC1CCN(C[C@@H]2CN(Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 91872005 ZSEYUDBUYDNPGX-IAGOWNOFSA-N 376.526 1.436 0 50 GDAA CCn1ccc(C(=O)N2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)n1 95355997 HZQJDNJGAJRLGA-UHFFFAOYSA-N 383.456 1.169 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccc(N)nc4)C3)CCC2=O)cn1 91708212 NFDGTNOBUVQKKL-OAQYLSRUSA-N 394.479 1.807 0 50 GDAA Cc1cc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)nc(N)n1 96163581 MKKVKOUYWMIZMT-UHFFFAOYSA-N 379.472 1.922 0 50 GDAA CN1CCN(C[C@@H](O)COc2ccc(CN3CCC(F)(F)CC3)cc2)CC1 95508424 FXDOEFYOMDLLAB-GOSISDBHSA-N 383.483 1.905 0 50 GDAA CN1C(=O)NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCSC[C@H]32)C1=O 248020935 HRXKWCDDSJBALH-LRDDRELGSA-N 399.394 1.878 0 50 GDAA CCCn1cc(S(=O)(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)cn1 244788028 QHYFRPROCXOTEL-VBQJREDUSA-N 380.470 1.487 0 50 GDAA O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CCC[C@H]1CO 253388501 IQFXYXZMYTYUCE-ULQDDVLXSA-N 380.510 1.755 0 50 GDAA CN(C)c1cncc(-c2ccc(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)cc2)n1 534670894 HXDUKVQHRKHNBZ-CQSZACIVSA-N 379.464 1.950 0 50 GDAA CNC(=O)CCc1ccccc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 823819652 IKAODHJRYOBWOS-FQEVSTJZSA-N 382.464 1.772 0 50 GDAA N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952975767 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O=C1CCCN1C[C@H]1CCCN(c2nc3nonc3nc2N2CCCCC2)C1 12227093 ZZDSNWGHFRXORZ-CQSZACIVSA-N 385.472 1.842 0 50 GDAA O=C(CCn1cnnn1)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 14980016 XCJKJXDYCVJFOE-IBGZPJMESA-N 390.532 1.725 0 50 GDAA CCOC(=O)N1CCN(Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn23)CC1 19740337 KVBTYZSMCLYBGW-UHFFFAOYSA-N 393.875 1.964 0 50 GDAA CN1CCn2nc(C(=O)N3CCN(c4nsc5ccccc45)CC3)cc2C1=O 1857677567 IGDZGWCORGWJDN-UHFFFAOYSA-N 396.476 1.541 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCC(c3ccncn3)CC2)CC[C@H]1O)c1ccc[nH]1 1857682098 HQMAEQMBQBIRAQ-KFKAGJAMSA-N 397.479 1.470 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnn(C)c2)C1 1857685143 CXHLTEPSVHAQMD-SVFBPWRDSA-N 389.544 1.249 0 50 GDAA O=C(NCCCO)c1cc2c(s1)CCOC21CCN(Cc2ncc[nH]2)CC1 1857693524 ANKNKXVEXPJJFV-UHFFFAOYSA-N 390.509 1.647 0 50 GDAA Cc1cccc(CC(=O)N[C@H]2CC[C@H](C(=O)NCc3c(C)n[nH]c3C)C[C@@H]2O)c1 1875248759 MDBHDXGJINHWRB-IHPCNDPISA-N 398.507 1.840 0 50 GDAA CCc1cc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1OC 1704329747 CIIAMYDOCLDDOA-RTBURBONSA-N 382.526 1.725 0 50 GDAA C=CC(=O)NC[C@@H](NC(=O)c1cn(C)c(=O)cn1)c1ccc2ccccc2c1 1875385807 BXVQKFZXVRZVLU-QGZVFWFLSA-N 376.416 1.707 0 50 GDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 1875382214 VEPMHMYOOBJZPF-GTJPDFRWSA-N 375.372 1.977 0 50 GDAA C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cn([C@H]2C[C@H](O)C2)nn1 1875358375 UBHCBFALJFKWBV-BPUTZDHNSA-N 380.452 1.789 0 50 GDAA CCS(=O)(=O)N1CCCc2ccc(NC(=O)N3CCOC[C@H]3COC)cc21 1875301429 KDXHXWHLEJSMIO-MRXNPFEDSA-N 397.497 1.668 0 50 GDAA O[C@@H]1CCc2nn(Cc3ccc(Cn4cc5c(n4)CC[C@@H](O)C5)cc3)cc2C1 883004871 XNUJZEHLNBQKLH-WOJBJXKFSA-N 378.476 1.875 0 50 GDAA O=C(NCC(=O)N1CCCCc2ccccc21)c1ccc2c(c1)C(=O)NC2=O 1306901445 FHVVNIPUOKBPLB-UHFFFAOYSA-N 377.400 1.670 0 50 GDAA Cc1cc(=NC(=O)NCc2cn([C@@H]3CCNC3)nn2)[nH]n1-c1ccc(F)cc1 2325758342 FRTONZBEZPJPBK-MRXNPFEDSA-N 384.419 1.189 0 50 GDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 860636627 ATPMBMKHGXUJKQ-HNNXBMFYSA-N 397.397 1.957 0 50 GDAA CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CO[C@H](CNc3nccc(C(F)(F)F)n3)C2)C1 2332238037 WAGQMRLMFGIBKQ-RVMXOQNASA-N 388.390 1.948 0 50 GDAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356158432 KDFVQOLATVFQKT-IRXDYDNUSA-N 391.855 1.643 0 50 GDAA COCCc1noc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356163265 VOHGCTBMTUTDKW-JXXFODFXSA-N 392.500 1.519 0 50 GDAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC[C@@H]1CCCO1 2869045 ZHLUNAOPMILKMJ-HNNXBMFYSA-N 384.498 1.603 0 50 GDAA CCN1C(=O)C[C@H](Sc2ccccc2C(=O)N2CCc3[nH]cnc3C2)C1=O 102791325 NKWUZYYXLGJXGB-INIZCTEOSA-N 384.461 1.848 0 50 GDAA Cc1ccc([C@H](CNc2ncc(C)c(-c3ncnn3C)n2)N2CCOCC2)o1 23366782 GXKCJJOBAFQCKS-HNNXBMFYSA-N 383.456 1.967 0 50 GDAA CC[C@H]1CN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)CCN1 67982454 ZVSKCFINQTWNCL-IBGZPJMESA-N 397.523 1.816 0 50 GDAA COc1ccc2ccc(OCc3nc(C(=O)N4CC[C@H](O)[C@@H](O)C4)co3)cc2c1 67772758 UJCPMPZBEARKCM-OALUTQOASA-N 398.415 1.983 0 50 GDAA CCCO[C@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67754878 IYQHQQTWLCFALY-NSHDSACASA-N 388.511 1.672 0 50 GDAA COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)C2)nn1 252512508 ROBGBFOHBLHABH-BFYDXBDKSA-N 375.473 1.493 0 50 GDAA O=C(Cn1cc2ccccc2n1)N1CCc2c(ncnc2N2CCOCC2)C1 77298678 ZSXMAZNQLIJIFW-UHFFFAOYSA-N 378.436 1.248 0 50 GDAA CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O 4102186 DXVUYOAEDJXBPY-NFFDBFGFSA-N 389.477 1.411 0 50 GDAA biogenic,world O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(c3cnccn3)CC2)C1 71748393 IIIXJMGHXINDHO-SFHVURJKSA-N 380.496 1.869 0 50 GDAA CC(C)c1noc([C@@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 120146098 YNDQBLOANAGTGJ-CYBMUJFWSA-N 379.486 1.724 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72166093 VMSBESRXYBLLKR-LJQANCHMSA-N 379.508 1.920 0 50 GDAA CCS(=O)(=O)N1CCc2c(ncn(Cc3csc(C(C)C)n3)c2=O)C1 328627447 GEJCQYKKLOCUEM-UHFFFAOYSA-N 382.511 1.579 0 50 GDAA CN1CCN(C(=O)C[C@@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)CC1=O 71662701 DVUUFETYKFNJAP-HSZRJFAPSA-N 391.471 1.834 0 50 GDAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 156349440 JHSKVGXLEIQROX-QGPMSJSTSA-N 380.514 1.482 0 50 GDAA O=C(c1cc(F)c(O)c(Cl)c1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 370094548 ZDQTVAIFOFRBJW-LLVKDONJSA-N 375.791 2.554 0 50 GDAA CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)CC1 72146305 BDTZQJKEBMTKLE-MRXNPFEDSA-N 398.429 1.170 0 50 GDAA Cn1ncc2c(N3CCC[C@H](C(=O)NCCCO)C3)nc(-c3ccncc3)nc21 72457080 XQTFYNYKUQHDLC-HNNXBMFYSA-N 395.467 1.140 0 50 GDAA COc1c(F)cc(C(=O)NCc2cc3n(n2)CCCN(C(C)=O)C3)cc1F 82160702 JFIMCSIPRHMSSJ-UHFFFAOYSA-N 378.379 1.852 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)ccc1N1CCOCC1 82039560 SCQBWELSZJCAGO-KRWDZBQOSA-N 382.464 1.935 0 50 GDAA CS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 292135270 LTIFIIJGJXJQCH-UHFFFAOYSA-N 394.541 1.767 0 50 GDAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(OCc2ccccn2)CC1 426737383 JVVNHJODODMRBM-KRWDZBQOSA-N 383.496 1.953 0 50 GDAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2cc(N)nc(N3CCCC3)n2)C1 95522213 PQAPKMHNHNXUAO-MRXNPFEDSA-N 384.532 1.801 0 50 GDAA CNS(=O)(=O)c1ccccc1NC(=O)NC[C@@H](CO)Cc1ccsc1 96179624 VVZFWPNJWMIUCQ-ZDUSSCGKSA-N 383.495 1.629 0 50 GDAA O=C1CCC(CCC(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)=NN1 95512480 YAEVBBHNGBRYFA-CYBMUJFWSA-N 376.482 1.763 0 50 GDAA O=C1COc2ccc(S(=O)(=O)NC[C@@H]3CCOc4ccccc4C3)cc2N1 97784901 LPRMPQLOMHVAAN-CYBMUJFWSA-N 388.445 1.937 0 50 GDAA CN1C(=O)[C@H](CC(=O)NCc2cc(-c3ccccc3Cl)no2)N(C)C1=O 91645941 FRXAKSAVAOVCOG-AWEZNQCLSA-N 376.800 1.894 0 50 GDAA CN1CCN(c2ccc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cc2)CC1 244795983 RQSVRCCZJLBWIV-LSTHTHJFSA-N 383.496 1.414 0 50 GDAA CC(C)n1cc2c(n1)[C@@H](NC(=O)CCc1nc(O)c3cnn(C)c3n1)CCC2 1323959416 NQRCZLTUQODQRA-AWEZNQCLSA-N 383.456 1.973 0 50 GDAA COCc1noc(CNC(=O)N2CCN(c3nsc4ccccc34)CC2)n1 534592100 DRJYCLDKIHRODN-UHFFFAOYSA-N 388.453 1.858 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3cc(C)no3)OCC(=O)N2C2CC2)cc1 1940197238 BOCPQZLOBOKBRU-MOPGFXCFSA-N 385.420 1.739 0 50 GDAA COc1ccccc1Cn1nccc1NC(=O)N1CCC[C@](O)(CN(C)C)C1 299786388 JZROUTYCWRNGQT-FQEVSTJZSA-N 387.484 1.860 0 50 GDAA N[C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(C2Cc3ccccc3C2)C1 299782202 FNDAASSVSIEABY-QUCCMNQESA-N 393.487 1.643 0 50 GDAA Cc1ncccc1C(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299788417 SGKQJBRSQABYHQ-GOSISDBHSA-N 386.496 1.364 0 50 GDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)CN3CCCCC3=O)C[C@@H]21 1565513677 SEGNRXSPCXZPOO-YWZLYKJASA-N 388.420 1.097 0 50 GDAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 269034366 NZAPFSXBWJSNOO-CYBMUJFWSA-N 391.243 1.033 0 50 GDAA CC[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 170597815 ZKXDRSRKKHJFAS-UKRRQHHQSA-N 381.498 1.515 0 50 GDAA CN1C(=O)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H]1c1ccccc1 170606642 UIQISNDEPIMEAF-LJQANCHMSA-N 385.445 1.733 0 50 GDAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNC(=O)c1ccc(F)cc1 188144979 ZOJBYJOONODMAI-QFIPXVFZSA-N 399.466 1.651 0 50 GDAA C[C@H](NC(=O)c1ccc(C(N)=O)cn1)c1cc(F)ccc1N1CCC(O)CC1 749245826 GROWQUDYMUXCOA-LBPRGKRZSA-N 386.427 1.772 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1 1704302622 QQKCYMPVXGFRBW-NHYWBVRUSA-N 385.873 1.458 0 50 GDAA CN(C)C[C@H]1[C@@H]2CN(C(=O)[C@H]3CCc4sc(N5CCOCC5)nc4C3)C[C@H]12 1772806798 FKBVIHAMXQQBEA-YHUYYLMFSA-N 390.553 1.351 0 50 GDAA CC(C)(C(=O)N[C@H]1c2ccccc2C[C@@H]1O)C(=O)N[C@H]1c2ccccc2C[C@H]1O 5495910 JXANLUMWGSWPBN-YRPNKDGESA-N 394.471 1.562 0 50 GDAA CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)CN(C)C(C)C)c(OC)c1 14964208 JZNRYXSKYWBKGV-KRWDZBQOSA-N 382.501 1.770 0 50 GDAA COCCNC(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 14996553 YHVMMDVZVJTOJG-UHFFFAOYSA-N 393.513 1.510 0 50 GDAA CN1CC[C@]2(C(=O)NCCc3ccncc3)CCCN(C(=O)c3cc[nH]n3)[C@H]2C1 1857687186 QGLWOROFQAPOEL-GHTZIAJQSA-N 396.495 1.090 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)CCO3)cn1 1857693345 SJOCDORPLRXGFS-UHFFFAOYSA-N 375.469 1.970 0 50 GDAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cc(C)oc3C)[C@H]3CC[C@]2(C1)O3 1857720341 PPQNRBXALDXJIY-WFXMFSGNSA-N 378.494 1.995 0 50 GDAA Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)CC2=O)cc1 328586536 PQNMBEBQAYGJLZ-JKSUJKDBSA-N 379.464 2.126 0 50 GDAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 328612910 QARHOEDQRRGVBW-GFCCVEGCSA-N 378.414 1.083 0 50 GDAA CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1 19792840 NFMYGFFUAXHUQF-UHFFFAOYSA-N 387.436 1.942 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 828634986 BFIFBDWCAPRVAA-DYVFJYSZSA-N 398.385 1.913 0 50 GDAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1 1875384423 OTJMADTXSYOEKB-VIFPVBQESA-N 382.388 1.910 0 50 GDAA O=C(NC1CN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1)[C@H]1Cc2ccccc2O1 1875325273 KSDIOIKKKFNQHW-LAUBAEHRSA-N 391.471 1.844 0 50 GDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)c1cccnc1O)C2 1875395949 QSKAKCUOSQDQJV-MRXNPFEDSA-N 394.479 1.349 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)CC1 1875365239 JQOFQBRMMWCJOB-QGZVFWFLSA-N 375.856 1.764 0 50 GDAA O=C([C@@H]1CCCN(c2cc(O)ncn2)C1)N1CC(c2nc3ccccc3[nH]2)C1 1875306770 OYMXHPLQVHUOOJ-CYBMUJFWSA-N 378.436 1.901 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)n1 1875399334 WIDYGMLCTXORIK-CYBMUJFWSA-N 381.427 1.583 0 50 GDAA Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1C 9243169 OOKQLUNKKKYODJ-ZDUSSCGKSA-N 397.479 1.684 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2cc3ccccc3nc2O)ncn1 2325785266 MSWABKKKESLYIS-IAGOWNOFSA-N 394.479 1.526 0 50 GDAA CCN1C[C@H](C(=O)Nc2cc(C(=O)NC)cc(C(=O)NC)c2)c2ccccc21 2325801065 UGAOLSUVEZYHDX-KRWDZBQOSA-N 380.448 1.968 0 50 GDAA O=C(Nc1cccc(Cn2cccnc2=O)c1)c1n[nH]cc1[C@@H]1CCCNC1 2325859899 PBIVVJIVZANLHG-OAHLLOKOSA-N 378.436 1.734 0 50 GDAA CC[C@H](CCOC)C(=O)N[C@H]1CCCCN(C(=O)[C@H]2CCC(=O)N(CC)C2)C1 2325863995 CNMKZPVDJDVQPZ-SQNIBIBYSA-N 395.544 1.805 0 50 GDAA Cn1cc(C[C@@H](N)C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)cn1 2325875560 WLJGIVDHFITWNJ-OAHLLOKOSA-N 394.460 1.499 0 50 GDAA COCc1cc(CNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)[nH]n1 2356139648 VKURPIISKVMIBU-KUDFPVQQSA-N 395.463 1.504 0 50 GDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(=O)nc4sccn34)C1)CC2 2356141919 WHFJRUHNQUVJRT-IBGZPJMESA-N 381.461 1.975 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(F)ccc2C)C1=O 2356150820 ARVLQDMKGCWNHP-GOSISDBHSA-N 384.473 1.926 0 50 GDAA COCCn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)c(C)n23)n(C)c1=O 8617910 LXFGRGCHKOLVHV-UHFFFAOYSA-N 395.463 1.655 0 50 GDAA Cn1cc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 102623668 QUXNSYMPUPCKKD-UHFFFAOYSA-N 376.482 1.567 0 50 GDAA CC(C)CCn1c(CN2CCNC(=O)C2(C)C)cnc1S(=O)(=O)C(C)C 55253170 YXDZOBUFKHFEDT-UHFFFAOYSA-N 384.546 1.822 0 50 GDAA CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1 20639025 JEZMQQAPTZHFQG-UHFFFAOYSA-N 389.905 1.181 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N(C)C)nc(C)n1 65362544 BLFFTEVIDJFJIF-UHFFFAOYSA-N 379.486 1.558 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1n[nH]c(N)c1-c1ccccc1)C2 67649096 ICJQEGJENODCLX-UHFFFAOYSA-N 380.408 1.688 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCc1cnn(Cc2ccccc2)c1 12199207 JXEKXSDTUUHJGK-HXUWFJFHSA-N 397.523 1.784 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cncn1C1CC1)CO2 71749532 ZKJJWZDMAWJPBW-MRXNPFEDSA-N 397.479 1.824 0 50 GDAA CN(Cc1ccccc1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 252504742 FHTLFVQDRIOYBG-OKZBNKHCSA-N 390.505 1.531 0 50 GDAA Cc1ccc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 72430162 IEBZONLQWPITKU-MSOLQXFVSA-N 390.505 1.554 0 50 GDAA Cc1c([C@H]2[C@H](CNc3ncc(Br)cn3)CC(=O)N2C)cnn1C 328615748 ZAUCCLJUSCWJBN-IINYFYTJSA-N 379.262 1.913 0 50 GDAA Cc1nnnn1CCCN1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 77456918 CXVUVULVEUHCRM-UHFFFAOYSA-N 384.484 1.901 0 50 GDAA Cc1cc(CNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)on1 14977597 IMJNGZKMMZXONS-UHFFFAOYSA-N 393.465 1.716 0 50 GDAA N[C@H](C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)C1CCOCC1 262013689 OIBSSDNIUSMVCB-KRWDZBQOSA-N 379.888 1.768 0 50 GDAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1cc(C)[nH]n1 77538147 KUVKHYGTSDWMHY-UHFFFAOYSA-N 388.859 1.988 0 50 GDAA CC1(C)CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCS1(=O)=O 373093381 UVKSURRSWYUPJQ-UHFFFAOYSA-N 382.486 1.349 0 50 GDAA Cn1nccc1C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 172604976 XMIOILASFLGWOJ-UHFFFAOYSA-N 376.438 1.433 0 50 GDAA CCc1cc(N2CCC(NC(=O)CNC(=O)c3ccccc3C)CC2)ncn1 177172325 NRMGBRXSPWNJPM-UHFFFAOYSA-N 381.480 1.862 0 50 GDAA CN(CCCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 20149281 QHLBZTLYXATIBU-LJQANCHMSA-N 390.503 1.461 0 50 GDAA Cc1noc([C@@H]2CN(C(=O)NCc3cn(C)nc3C(F)(F)F)CCN2C)n1 285563042 PIMMHARQFAXOCX-NSHDSACASA-N 387.366 1.329 0 50 GDAA COc1cc(OC)c(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1OC 285640511 BQFVJARVXHQBCH-UHFFFAOYSA-N 376.331 1.559 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 92036970 LBRZMCUFTUCJDS-UHFFFAOYSA-N 394.479 1.942 0 50 GDAA Cn1cc(Br)c(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)n1 239302842 FQHGSRAUQYSPAW-YJFSRANCSA-N 391.225 1.025 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2 95497785 GDAVMSKFUPSZQW-INIZCTEOSA-N 387.484 1.033 0 50 GDAA CCN1CCN(C[C@@H]2CN(c3ncnc4sc(C)cc34)C[C@@H]2CO)CC1 95390498 YUQSSKVRUWQOLZ-HZPDHXFCSA-N 375.542 1.682 0 50 GDAA Cc1ncsc1CCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 23338220 LWWMZGJLMPQYOI-GOSISDBHSA-N 391.537 1.856 0 50 GDAA O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230215130 FTYCTWOINGVFCU-RDJZCZTQSA-N 382.416 1.661 0 50 GDAA O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H]1C=C[C@@]2(CO)O1 240662477 PLMBSVQKDHROPM-ZAZJYDDPSA-N 397.168 1.097 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)c2cccc(-n3cc(Br)cn3)c2)CCO1 299751548 QYMSSRZVTVZGRZ-CQSZACIVSA-N 394.225 1.951 0 50 GDAA O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 252481635 CPSUXCKWPDELSC-GFCCVEGCSA-N 392.345 1.110 0 50 GDAA NC(=O)[C@@H]1C(=O)N(CCc2ccco2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 826828552 WAFGNQQTCIYZCS-QTQZEZTPSA-N 382.416 1.675 0 50 GDAA biogenic CC(C)[C@H](C(=O)N(CCO)Cc1nccn1C)n1cnc2ccccc2c1=O 952978359 ZBNRQPFNILATPZ-GOSISDBHSA-N 383.452 1.348 0 50 GDAA COC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2ncnc3[nH]cnc23)CC1 952964336 ZBVMRRSHUGDHJB-IHRRRGAJSA-N 386.456 1.417 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCC2(C)CC2)CN1Cc1c[nH]cn1 96136684 MDGCNAUIIVPEGH-WBVHZDCISA-N 375.517 1.918 0 50 GDAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1nc2cccnc2s1 194020224 SYMOWOUBTMZLDO-MRXNPFEDSA-N 396.472 1.891 0 50 GDAA COc1ccccc1C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(C)CC1 195136933 MBJFZBVVLFQYEH-SFHVURJKSA-N 388.512 1.576 0 50 GDAA O=C1CCCCN1CCC(=O)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615954831 QYXGJSTUIJKVLV-PXNSSMCTSA-N 381.476 1.999 0 50 GDAA CCN1CCN(CC(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)CC1 1615964630 SQLGDGZAVFBDOA-RXVVDRJESA-N 382.508 1.234 0 50 GDAA O=C(c1ccco1)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1506414229 WSZWVJDKAMWYFQ-UHFFFAOYSA-N 375.404 1.398 0 50 GDAA Cc1ccccc1CC(=O)N1CCCN(C(=O)c2n[nH]c3c2COCC3)CC1 1529151532 JQJPZHXXNPMPSV-UHFFFAOYSA-N 382.464 1.708 0 50 GDAA Cc1noc(C)c1C(=O)N1CCCN(C(=O)CSc2nnc(N)s2)CC1 1529091874 RXHJOXVZLBOCJE-UHFFFAOYSA-N 396.498 1.192 0 50 GDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O 1704302755 AYGLPLKTMPANLL-ZBFHGGJFSA-N 384.436 1.243 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CN2C1=O 14741107 QTRJAQSXAODKQA-IHRRRGAJSA-N 398.385 1.951 0 50 GDAA Cc1ccc(N(C[C@H](O)CN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 19791186 XYNPUNNUQVVXKO-LJQANCHMSA-N 390.505 1.883 0 50 GDAA CCN(CCN1CCCC1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 19811472 RELYKLXDEWEUAL-KRWDZBQOSA-N 384.546 1.383 0 50 GDAA O=C1C[C@H]2CN(C(=O)Cn3nc(-c4ccccc4)c4ccccc4c3=O)C[C@H]2N1 1857674814 ZBGVDRHNELYGPW-MAUKXSAKSA-N 388.427 1.410 0 50 GDAA O=C(NCC1CCC1)c1cc2c(s1)C1(CCN(C[C@H](O)CO)CC1)OCC2 1857681288 HMNNJDQDYVUVHZ-INIZCTEOSA-N 394.537 1.495 0 50 GDAA CN1CCC[C@H]1CC(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857694636 STKFRIKEQMUCDZ-SFHVURJKSA-N 377.529 1.881 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3c[nH]c4cc(C)nn4c3=O)C[C@H]12 1857733179 YRHBFSMAJXBKRF-ONQXIZJVSA-N 384.436 1.404 0 50 GDAA CN1C(=O)[C@H](CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)N(C)C1=O 1875250658 VDWUCOCNXKXCMD-KRWDZBQOSA-N 395.463 1.297 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3CN(C4CC4)CCO3)cc2)co1 123613452 VDIOHKGBVUMWJF-INIZCTEOSA-N 377.466 1.792 0 50 GDAA CC(C)n1ccc(NC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)n1 333326265 XVSGLCQYMANHAM-ZDUSSCGKSA-N 386.416 1.853 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](O)CC1)C2 251998632 LTDXETDUDSDZPO-NCOADZHNSA-N 375.469 1.792 0 50 GDAA COc1ncc(NC(=O)N2CCC(CCN3CCOCC3)CC2)cc1C(N)=O 377176984 CMJKMXSDNPKGAL-UHFFFAOYSA-N 391.472 1.155 0 50 GDAA O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 162931248 NXJWPOKAGSGQLM-UHFFFAOYSA-N 381.766 1.905 0 50 GDAA O=C1[C@H](NS(=O)(=O)[C@@H]2CCOC2)CCN1c1cccc(OC(F)(F)F)c1 265372009 ANPDMMRTJXFMTG-CHWSQXEVSA-N 394.371 1.399 0 50 GDAA CCc1cn2c(n1)CC[C@H](C(=O)N1CCCN(c3ncnc4[nH]cnc34)CC1)C2 1875295311 FWJWJSHBOVKIBL-AWEZNQCLSA-N 394.483 1.413 0 50 GDAA Cc1ccc(NC(=O)CC2CC(=O)NC(=O)C2)cc1I 2325779037 CFNCJRWDCVWABU-UHFFFAOYSA-N 386.189 1.981 0 50 GDAA O=C(C[C@@H]1CN(C(=O)[C@H]2CCCO2)C2(CCC2)CO1)NCc1ncccc1F 2325785282 OEKBFNUYVIHXOF-RHSMWYFYSA-N 391.443 1.556 0 50 GDAA C[C@@H]1O[C@H](C)[C@H](C(=O)NS(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)[C@H]1C 2325798723 SQTBQBOLGKGDCZ-PVTKRXDGSA-N 381.429 1.876 0 50 GDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)CC[C@@H]2CCCO2)CC1=O 2325817555 AAIZGYHBTAHSCL-OIISXLGYSA-N 394.493 1.611 0 50 GDAA Cc1cc(CC(=O)NC[C@H]2CC(C)(C)CN2C(=O)[C@H]2CCCC(=O)N2)sn1 2325823099 FIGYYSOHCKBDDP-UKRRQHHQSA-N 392.525 1.406 0 50 GDAA CC(C)CN1C(=O)[C@@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)N=C1O 2872070 LWBOKXHGIIEHGQ-CYBMUJFWSA-N 394.375 1.218 0 50 GDAA CC(C)[C@H](CO)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55370528 MJQYSJWMGPPQKT-INIZCTEOSA-N 390.459 1.883 0 50 GDAA COc1ccc(Cc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n[nH]2)cc1 170625091 JPTZDYGWFVLXPZ-CQSZACIVSA-N 395.419 1.984 0 50 GDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)C3CCOCC3)c2)CC1 20294549 GAJGVFGCAWTDJS-NRFANRHFSA-N 391.556 1.675 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nnc(-c2ccccc2)o1 12432767 WLSSLJRKIFMJEX-QGZVFWFLSA-N 399.495 1.932 0 50 GDAA O=C1OCC2(CCN(C[C@]3(O)CCCN(Cc4ccc(F)cc4)C3=O)CC2)O1 67490836 QSIOEYXVWVLOPT-HXUWFJFHSA-N 392.427 1.681 0 50 GDAA O=C(NCc1ccon1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20534164 XJGCUTAIASTPCM-UHFFFAOYSA-N 381.436 1.910 0 50 GDAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72116091 LEKKOQMLMPJWPG-UHFFFAOYSA-N 391.472 1.727 0 50 GDAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 71749981 FJIYNPMAGIIQLD-UHFFFAOYSA-N 390.461 1.997 0 50 GDAA COCCN(CC1CC1)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71589488 PUZMFKSKNPGSDG-QGZVFWFLSA-N 389.496 1.861 0 50 GDAA Cc1nc(S(=O)(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cn1C 122580786 ZMZNMGZHKHHBOZ-UHFFFAOYSA-N 375.454 1.376 0 50 GDAA O=C(C[C@@H]1COCCN1Cc1cc2ccccc2[nH]c1=O)N1CCSCC1 72424512 LBNOAXWQCAFTEY-QGZVFWFLSA-N 387.505 1.694 0 50 GDAA Cn1cc(CCC(=O)N2C[C@@H]3CN(Cc4cccc(O)c4)C[C@]3(C(=O)O)C2)cn1 215238109 IZHWIVUKEHXOPW-UWJYYQICSA-N 398.463 1.104 0 50 GDAA O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)O)C2)s1 34928794 WYXLMYBTYWBMMF-VIFPVBQESA-N 378.385 1.866 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H](C)N3CCN(C)CC3)c12 72408444 NIJLORRNYZLJRR-CQSZACIVSA-N 380.500 1.782 0 50 GDAA Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)cn1 369962670 ZMLDAQHPIKSVIF-KRWDZBQOSA-N 377.448 1.730 0 50 GDAA CCc1ccc2nc(C)cc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 72459187 DDCZVYWKSKVOEY-MOPGFXCFSA-N 387.505 1.659 0 50 GDAA C[C@H](CS(C)(=O)=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 72479310 WOMKFVZHLGHVGS-MRXNPFEDSA-N 396.509 1.785 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)NC1CCN(Cc2cccnc2)CC1 172114955 WLGSWLXXHFSHEO-UHFFFAOYSA-N 377.448 1.572 0 50 GDAA CO[C@@H](CN)CC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 262970147 XLAQHFVPEOBATA-VQIMIIECSA-N 376.478 1.660 0 50 GDAA Cc1cc(CN(C)C(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n[nH]1 71745370 WHSHTPCXDHMQNW-MRXNPFEDSA-N 385.468 1.666 0 50 GDAA COc1ccc(C(=O)O[C@H]2CCOC2=O)cc1S(=O)(=O)N1CCCC[C@H]1C 241465997 NTSODMDRIJWETF-DOMZBBRYSA-N 397.449 1.731 0 50 GDAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2ncc(CCO)cn2n1 426490474 IBOQEOISSSJYTH-ZDUSSCGKSA-N 382.420 1.869 0 50 GDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1ccccc1S(N)(=O)=O 288141508 ZRVPHOAUZRASQV-AWEZNQCLSA-N 388.493 1.884 0 50 GDAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccc(F)c1)CC2 91562833 WBDRXKALVCZNSH-UHFFFAOYSA-N 378.473 1.858 0 50 GDAA Nc1nc(N2CCC(c3nccn3Cc3cccnc3)CC2)c2nc[nH]c2n1 95511897 YNDSOTGWMBYPQW-UHFFFAOYSA-N 375.440 1.959 0 50 GDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H]1COc2ccccc2C1 91636240 AOYRCRFAJMBIHE-MRXNPFEDSA-N 381.480 1.518 0 50 GDAA CCc1nc(CN2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)no1 95517713 RNJAWHMFPWITCE-UHFFFAOYSA-N 382.428 1.458 0 50 GDAA CC[C@H](C)[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91808213 BQSDQSHTPQXKHW-YJBOKZPZSA-N 375.517 1.557 0 50 GDAA NC(=O)c1ccc(CNC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 179299705 LJSNMCYHIONFLD-KRWDZBQOSA-N 380.448 1.633 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95504054 KCAUYQYZEMRNJC-INIZCTEOSA-N 380.514 1.182 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(COc3ccc(S(C)(=O)=O)cc3)n2C)C1 244893015 YTUUCEHHBQODJL-JOCQHMNTSA-N 378.454 1.180 0 50 GDAA COc1cncc([C@@H](NC(=O)c2cc(C)n3nc(C)cc3n2)[C@H]2C[C@@H](O)C2)c1 244716031 LHBACABQWLHBLQ-OHNRDTAOSA-N 381.436 1.992 0 50 GDAA COc1ccnc(N2CCC(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)CC2)n1 299748818 IHIRHRUSHDRCTK-JYJNAYRXSA-N 388.468 1.946 0 50 GDAA COC1CCN(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)CC1 534590726 ZVCWVVGLBGVHBI-UHFFFAOYSA-N 375.473 1.346 0 50 GDAA CN(C)CCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCNCC2)C1=O 299774366 HJBZXTSWIGAOEV-HXUWFJFHSA-N 376.476 1.610 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1 670469610 BMQMBBRMCYCXJK-SFHVURJKSA-N 391.493 1.055 0 50 GDAA COC[C@H]1[C@H](NS(=O)(=O)c2ccc3nc(O)cc(C)c3c2)[C@H]2CCO[C@H]21 1074581488 RHXLOQJXPQZRIV-KBEZCGTCSA-N 378.450 1.577 0 50 GDAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c1 952869652 MTMBDRPYDSYQLL-MRXNPFEDSA-N 396.447 1.962 0 50 GDAA CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](n2cc(C(=O)O)nn2)CN1 952867819 SBNPBQCKEHHHFZ-JQWIXIFHSA-N 378.820 1.237 0 50 GDAA O=C(c1cc(F)c(F)cc1F)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 1565506051 KKNVZYLRCANEHA-WLRWDXFRSA-N 398.381 1.742 0 50 GDAA C[C@@H]1COCCN1CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 170607370 QTQBFVIZRHBXFU-CYBMUJFWSA-N 393.962 1.429 0 50 GDAA Cc1cccc2nc(C(=O)NC[C@H]3CCCN(Cc4cc(O)nc(O)n4)C3)cn12 1506419933 MJXXORQVAWGAHY-CQSZACIVSA-N 396.451 1.486 0 50 GDAA COc1cc(-c2onc(N3CCN(CCCO)CC3)c2C(=O)O)ccc1F 1704304743 NJRURGSGDDQUKI-UHFFFAOYSA-N 379.388 1.692 0 50 GDAA COCCCNC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1OC 15071146 ASBRDTCYQJERKI-ZGRWHYIRSA-N 375.469 1.052 0 50 GDAA CC[C@@H](CO)NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 18286076 JTRDNGGMBQVVIO-AWEZNQCLSA-N 387.461 1.948 0 50 GDAA CN(CC(=O)NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 19842238 WTELTMMUAFNLQZ-KRWDZBQOSA-N 383.489 1.030 0 50 GDAA O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 19882639 WFBXHBNMBUQMGK-IBGZPJMESA-N 381.476 1.760 0 50 GDAA Cc1nc(O)cc(CN2CCC(C3CCN(C(=O)Cn4cccn4)CC3)CC2)n1 1857721757 DRRJBKWLGBWCGB-UHFFFAOYSA-N 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C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)o1 123562873 RBVAEIFXJYLLIK-NWSJSOTBSA-N 380.510 1.994 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1CCCO1 1061988 XYWDSVIDBQBONV-INIZCTEOSA-N 382.482 1.535 0 50 GDAA COc1cc(-c2ccc(C(=O)N3CC[C@H]4OCC(=O)N[C@H]4C3)cc2)c(=N)[nH]c1C 2356158905 DPJKSZWRFZYTJZ-DLBZAZTESA-N 396.447 1.208 0 50 GDAA CCc1ccc(-n2c(C)cn3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 4250595 PFBBWEPSWCCXFN-UHFFFAOYSA-N 395.419 1.182 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1 6492317 VNVHJAKKRMKQKL-INIZCTEOSA-N 389.477 1.807 0 50 GDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1 8684158 AKWZAASNCKPVPY-CYBMUJFWSA-N 375.812 1.742 0 50 GDAA CCN(CC)CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225722968 ZBCACYMAPUXDME-KRWDZBQOSA-N 379.476 1.301 0 50 GDAA CCc1cc(N2CCC[C@@H](NC(=O)c3n[nH]c4ccccc4c3=O)C2)ncn1 112507655 BNSRCFFLVFPXTE-CQSZACIVSA-N 378.436 1.674 0 50 GDAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55182614 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0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)C[C@H]2CO1 1857691754 CABGBCDWWZEOMH-JYJNAYRXSA-N 399.413 1.755 0 50 GDAA CCNC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N[C@H]3CCOC3)sc12 1857692634 NMZTVZRNZXTZHA-AWEZNQCLSA-N 393.509 1.860 0 50 GDAA CCN1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)NCc3cnc(C)cn3)C[C@@H]2C1 1857694126 BQKKNFLHEGHOKN-SFHLNBCPSA-N 393.491 1.695 0 50 GDAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCSc3nccn3C)CC2=O)s1 1857702003 VVGYUMQJQLHLTF-NSHDSACASA-N 394.526 1.656 0 50 GDAA CN(C)C(=O)CN1CC2(CCN(C(=O)CC3CCCC3)CC2)OCCC1=O 1857726136 GGVUADOCVGSPCT-UHFFFAOYSA-N 379.501 1.265 0 50 GDAA CC(C)[C@@H]1CN2C[C@H](NC(=O)c3cc(Cl)ccc3OCCN)C[C@H]2CO1 1857726938 GCDOQEVZBBXUFE-VKJFTORMSA-N 381.904 1.905 0 50 GDAA CCOc1ccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1CO 1857738060 PXIGCEHDVLCQRX-FHWLQOOXSA-N 387.480 1.838 0 50 GDAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1 1857739396 RGRCYESDLJUNOJ-UYAYXHRUSA-N 376.482 1.008 0 50 GDAA 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Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCN(c4cccnn4)C3)n2)cc1 135300272 OQOFMDCXNRUSIM-INIZCTEOSA-N 378.440 1.224 0 50 GDAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(CSc4ncn[nH]4)o3)C2)C1=O 67872150 RFXKVKJOHRVGGB-KRWDZBQOSA-N 375.454 1.775 0 50 GDAA CCCc1n[nH]cc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 67982390 XIHIEKPXXNVKKN-OAHLLOKOSA-N 387.528 1.957 0 50 GDAA CC(C)C[C@H](C(=O)NCC[C@H](O)C(F)(F)F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252505811 NKBRAGITQSZIIK-SYQHCUMBSA-N 390.402 1.782 0 50 GDAA O=C1CCCN1CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72143394 NDKZTNOSHFTLPZ-ZPMCFJSWSA-N 383.492 1.900 0 50 GDAA O=C(C1CCCCCC1)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77354634 CNLOLGLIGHMQJO-JKSUJKDBSA-N 378.498 1.261 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328640517 XJOSPJXIJJVVEL-HNNXBMFYSA-N 380.518 1.336 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(Cn2ccnn2)CC1 155156461 UARGTCLFEWKJTH-HXUWFJFHSA-N 394.479 1.745 0 50 GDAA O=C(c1ccc2c(c1O)CCCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1 366091485 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COc1ccc(-c2cc(C(=O)N3CCC[C@H](O)C3)cc(-n3cnnn3)c2)cc1 11909127 QCHIBNGTTXGANR-SFHVURJKSA-N 379.420 1.935 0 50 GDAA COc1ccccc1CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12002573 RGNSZEHNDHHSNT-UHFFFAOYSA-N 388.445 1.870 0 50 GDAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)c(OC)c1 14979971 WEDDYJRBSYBTPV-GOSISDBHSA-N 389.496 1.496 0 50 GDAA COCCn1c(CN(C)[C@H](C)c2ccon2)cnc1S(=O)(=O)CC1CC1 19771241 TVXPDKMSYHUXHE-CYBMUJFWSA-N 382.486 1.894 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3ccncc3)C2=O)cc1 206230618 QKESWURDEWLOBG-GOSISDBHSA-N 396.447 1.650 0 50 GDAA Cc1nc([C@H]2CCn3nccc3C2)n(-c2cc(S(N)(=O)=O)ccc2F)n1 1857675892 LCSFHVBKBJGSGK-NSHDSACASA-N 376.417 1.289 0 50 GDAA CCn1ccc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)n1 1857685964 BUDHSAIXSCCMDF-NRFANRHFSA-N 398.511 1.715 0 50 GDAA COCCNC(=O)c1cc2c(s1)C1(CCN(Cc3ncc[nH]3)CC1)OCC2 1857699414 PCRQRWHOODUFPK-UHFFFAOYSA-N 390.509 1.911 0 50 GDAA CCOC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)C3CC=CC3)[C@H]3CC[C@]2(C1)O3 1857716475 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O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CNCC[C@]12CCOC2 1875277317 WFGLNXUKQSKCSI-SFHLNBCPSA-N 391.487 1.331 0 50 GDAA C[C@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)[C@H](C)CN1C 1875350401 LLHHOSGKCHXLSZ-NWDGAFQWSA-N 382.424 1.253 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4cccc(C)n34)C2)n1 1875397328 WDGQWKNLGVAKLU-MRXNPFEDSA-N 393.495 1.778 0 50 GDAA CN1[C@](C)(CNC(=O)N2CCOCC[C@@H]2c2ccccc2)CCS1(=O)=O 1875404888 ZNTDCWVELATSJF-AEFFLSMTSA-N 381.498 1.584 0 50 GDAA Cc1cnc(CCNC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c(C)c1 888093967 PVKWXNOTIKSTIY-UHFFFAOYSA-N 396.495 1.845 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCC2=CCCCC2)C[C@@H]1O)c1ccc2nn[nH]c2c1 2100540604 MRAPHURQTDQBHY-WBAXXEDZSA-N 383.452 1.444 0 50 GDAA CCN1CCc2c(cccc2NC(=O)C(=O)N[C@@H](C)c2nnc3ncccn23)C1 2325744480 WJRADHHKYIHWKX-ZDUSSCGKSA-N 393.451 1.318 0 50 GDAA C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(CNC(=O)C(C)(C)N2CCCCC2)CC1 2325793434 UTCVSGPHGOLLOY-IAGOWNOFSA-N 378.561 1.889 0 50 GDAA COC(=O)c1nc(N2CCN([C@@H]3CCCCNC3=O)CC2)c2sccc2n1 2325802224 QWVLEDUOYCYGPP-CYBMUJFWSA-N 389.481 1.269 0 50 GDAA Cc1cccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 891961 XHEAGOPSLWXSDC-UHFFFAOYSA-N 379.420 1.996 0 50 GDAA biogenic COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 1207826 RZCZOYILLXYPFC-UHFFFAOYSA-N 383.312 1.759 0 50 GDAA CCC[C@@]1(C(=O)O)CN(S(=O)(=O)c2cccc3c2OCCO3)CC[C@H]1O 2356136296 NXYPJSPZKVUJEO-RHSMWYFYSA-N 385.438 1.084 0 50 GDAA NC(=O)COc1ccc(CN2CCC[C@@]23CCCN(CCO)C3=O)cc1Cl 2356148017 COFYLWVFBDJEFI-LJQANCHMSA-N 395.887 1.153 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCn2nccc2C)CC[C@@H]1NC(=O)NCC 2356153019 NHMTVBKGGMLDPN-ULQDDVLXSA-N 379.505 1.591 0 50 GDAA C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 8708881 YSYZEPFVQSNLMP-ZDUSSCGKSA-N 375.473 1.068 0 50 GDAA CCN(CC)CCNCc1ccccc1OC[C@@H](O)CN1CCSCC1 20540711 BCCFHRRNGQELDK-IBGZPJMESA-N 381.586 1.907 0 50 GDAA CCN1CCN(C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1=O 67804694 YPCYGSQUGLYTBO-JOCHJYFZSA-N 387.524 1.828 0 50 GDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)C2 67920946 XIAAPJHMEIUOLX-INIZCTEOSA-N 388.468 1.574 0 50 GDAA Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1F 122138195 FDDCKOXKEXBSJX-HNNXBMFYSA-N 388.436 1.675 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)C2)n1 328612592 PHYYCGQILVSLRH-GTNSWQLSSA-N 379.438 1.238 0 50 GDAA C[C@H]1[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)CCN1C(=O)OC(C)(C)C 253417991 CALCAOLNLZDNKM-VNHYZAJKSA-N 389.518 1.172 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)ccc21 328608970 BUHNHNZDDXFLKT-QGZVFWFLSA-N 387.461 1.833 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 328612593 PHYYCGQILVSLRH-PIGZYNQJSA-N 379.438 1.238 0 50 GDAA COCc1nc(N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c2cnn(C)c2n1 72129679 QZTSLWLIEBEPSX-OAHLLOKOSA-N 387.532 1.362 0 50 GDAA COc1ccc(CC(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c(OC)c1 72145873 ZJZYRFBTDOWPLG-MRXNPFEDSA-N 376.453 1.644 0 50 GDAA O=C(NCc1nc[nH]n1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764535 HWPPKGYTXSQXTC-KRWDZBQOSA-N 383.500 1.193 0 50 GDAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cc3ccccc3o1)C2 223037374 WUMMMDRPBOTPMW-QGZVFWFLSA-N 375.450 1.723 0 50 GDAA O=C(CCc1cc(Cl)no1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426549171 NCSCCQTVSUSLJD-HUUCEWRRSA-N 377.828 1.652 0 50 GDAA CCSc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 82161954 ARARYCZXPOQPCW-UHFFFAOYSA-N 375.502 1.572 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncc(F)c(N(C)C)n1)CC2 95520650 CBPBAMNRLQOZLQ-UHFFFAOYSA-N 387.463 1.695 0 50 GDAA COC[C@@H]1CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96149115 RPLHAIQJFKYWKY-CQSZACIVSA-N 378.473 1.538 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(OC)ncn1)C2 95377809 JMYDOQBTQHCUFH-HLIPFELVSA-N 376.501 1.829 0 50 GDAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCN(c2nc[nH]n2)CC1 426420307 YFXIITJSFSXOCG-SFHVURJKSA-N 383.500 1.864 0 50 GDAA Cc1nnc(CN(C)Cc2ccccc2OC[C@H](O)CN2CCSCC2)o1 95518519 MTKZIWFBIMSCOO-QGZVFWFLSA-N 392.525 1.799 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)CCC1=O 91644739 PHVWLXRYWJKCNN-HXUWFJFHSA-N 375.469 1.483 0 50 GDAA CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnn1C 97742683 MJTGUIWDXAEUNM-MRXNPFEDSA-N 392.481 1.322 0 50 GDAA COC(=O)c1cccc(NC(=O)N2CCn3c(nc(C)c3C(=O)N(C)C)C2)c1 96163643 KZDVAIOBJXOCDY-UHFFFAOYSA-N 385.424 1.728 0 50 GDAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)C2)n1 96150356 KGSMBJVTSHDQGQ-CQSZACIVSA-N 377.470 1.935 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@@H]2CO)CC1 91519275 ILXSOLHTPYPOAQ-WOJBJXKFSA-N 382.508 1.553 0 50 GDAA NS(=O)(=O)Cc1cccc(NC(=O)NC[C@@H](CO)Cc2cccs2)c1 96162510 ULMYNRMAUXYOPF-ZDUSSCGKSA-N 383.495 1.509 0 50 GDAA Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NC[C@H]4COCCO4)C3)nc2)n1 245039119 OGEGLOMZIXACNH-CVEARBPZSA-N 387.440 1.188 0 50 GDAA CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H]1C[C@H]1C(=O)O 299748160 GGYUMQSDMFGZST-VHSXEESVSA-N 375.381 1.422 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)O)c1 299753525 YLCGSKGMAHXQMY-HZPDHXFCSA-N 382.482 1.169 0 50 GDAA Cc1csc(CCCNC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)n1 584886832 CQLAXEQIRRMMSS-UHFFFAOYSA-N 379.486 1.452 0 50 GDAA Cc1nnc(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)o1 952990080 VPUDROHPWAKKCL-AWEZNQCLSA-N 381.479 1.686 0 50 GDAA CN(C)[C@@H](CNS(=O)(=O)c1cccc2c1OC(C)(C)C2)c1cnn(C)c1 192632171 PSMDPUTWLQPINK-HNNXBMFYSA-N 378.498 1.715 0 50 GDAA Cc1cccc(-c2noc(CCC(=O)N3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)n2)c1 1704316276 XFRLNBZGQZULPI-KDURUIRLSA-N 385.376 1.366 0 50 GDAA Cc1c(NC(=O)CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cnn1C 1704298778 NTHXRPXBTPYTNB-UZLBHIALSA-N 379.464 1.751 0 50 GDAA Cc1cnc(C(=O)N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@]3(CN(C)C)C2)cn1 1772710410 QZIXCCMTCQVONM-JXFKEZNVSA-N 399.520 1.623 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nc(C5CC5)no4)C[C@@]3(CO)C2)c(C)o1 1772709179 IKVFSEJWPIKITG-YWZLYKJASA-N 386.452 1.723 0 50 GDAA COCCn1c(CN2CCC[C@@H](CO)C2)cnc1S(=O)(=O)CCC(C)C 11664436 VCSVYNVVPGGXLA-MRXNPFEDSA-N 387.546 1.554 0 50 GDAA Cc1ccc2ncnc(N3CCCN(S(=O)(=O)N4CCCC4)CC3)c2n1 1857671558 IATLSSJRAKSMPK-UHFFFAOYSA-N 376.486 1.186 0 50 GDAA CCCN1CCC2(CC1)OCCc1sc(C(=O)N[C@@H]3CC(=O)N(C)C3)cc12 1857684979 MCZWZCXJXUAAFE-CQSZACIVSA-N 391.537 1.982 0 50 GDAA COc1nc2c(cc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1)CCC2 1857720182 IGHHUYZTDGIHHA-OALUTQOASA-N 399.495 1.456 0 50 GDAA Cc1ccc(-n2nc(-c3ccc(C(N)=O)cc3)nc2[C@H]2C[C@@H](N)[C@H](O)C2)cc1 1857733105 VKYJCGQAGAKHBK-CGTJXYLNSA-N 377.448 1.907 0 50 GDAA CCn1c(C)nnc1CN1CCC[C@@H](n2ncc(N(C)CCOC)cc2=O)C1 328602914 DCAUCGZPAWDIPT-MRXNPFEDSA-N 389.504 1.083 0 50 GDAA COC(=O)c1cccc(CNS(=O)(=O)Cc2ccccc2C(=O)OC)c1 443496941 FBDXFXCVOSECRY-UHFFFAOYSA-N 377.418 1.879 0 50 GDAA Cc1cccc(Cl)c1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 333923810 SPLVFVSQTPQXPH-OLZOCXBDSA-N 379.887 1.225 0 50 GDAA NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 489676993 HKAUECWKDFZXQK-UHFFFAOYSA-N 396.852 1.787 0 50 GDAA CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 828634988 BFIFBDWCAPRVAA-SUMWQHHRSA-N 398.385 1.913 0 50 GDAA Cn1nccc1[C@@H]1CN(c2cncc(C(N)=O)n2)CCN1Cc1ccccc1 1875299458 LOGZRSWZBXQLPU-SFHVURJKSA-N 377.452 1.373 0 50 GDAA Cc1nn(-c2ccccc2)nc1C(=O)N1CCOC2(CCS(=N)(=O)CC2)C1 1875395752 KWEGBGNPOALROG-UHFFFAOYSA-N 389.481 1.627 0 50 GDAA Cn1c(CN2C(=O)[C@]3(CCN(C(=O)CO)C3)c3ccccc32)nc2ccccc21 2100537617 RWWZOBFVWONDBZ-QFIPXVFZSA-N 390.443 1.583 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCO[C@H](c4nn[nH]n4)C3)c2)o1 2100541088 VJXCYQYWOMVPMV-AWEZNQCLSA-N 390.425 1.234 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCc4[nH]nc(O)c4CC3)cn12 2100543335 PYIRRMBRRBQKLM-UHFFFAOYSA-N 377.408 1.405 0 50 GDAA CCOC(=O)C1CCN(C(=O)CN(c2ccccc2CC)S(C)(=O)=O)CC1 784409 ZEZHKWSUAGBMMJ-UHFFFAOYSA-N 396.509 1.817 0 50 GDAA CCc1noc(CNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n1 2356136566 ZOUOAAYPIBVPEO-VQZRKKFQSA-N 381.436 1.580 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(O)cc(C(=O)OC)c2)C1=O 2356169861 JVTABFFBXHXLEC-HXUWFJFHSA-N 390.436 1.422 0 50 GDAA O=C(COC(=O)CSCc1c[nH]c(=O)[nH]c1=O)Nc1ccc2ccccc2c1 4819880 MWHLVEKZFLTTCR-UHFFFAOYSA-N 399.428 1.632 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)c1 8333540 DOUUQYRQZQVUIU-UHFFFAOYSA-N 380.510 1.871 0 50 GDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101079626 CIYMQMGETDSFSM-YXUGBTPSSA-N 385.416 1.842 0 50 GDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)CC1 24611217 ORCSVYBCOORLIT-UHFFFAOYSA-N 393.553 1.701 0 50 GDAA O=C(Cn1ccc2ccc(F)cc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 61721563 VPMQWICNBYCNQO-INIZCTEOSA-N 379.457 1.112 0 50 GDAA Cc1cccc(OCC(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 72476471 NUSWRZBAXHVOTM-MSOLQXFVSA-N 392.521 1.402 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCOCC3)[C@@H]4C2=O)cc1C 77357592 ZUSXQHHYVBUOSN-VWNVYAMZSA-N 382.460 1.444 0 50 GDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(Cc3c[nH]cn3)CC2)C1 71415757 YALBGNMAHZFXTH-GOSISDBHSA-N 382.512 1.798 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)ccc1F 370507388 JJRDNTJYWQASSR-PZROIBLQSA-N 390.419 1.910 0 50 GDAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cncn2)cn1 241923264 UEKICOZNMGUHFP-UHFFFAOYSA-N 377.452 1.419 0 50 GDAA CS(=O)(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)c(F)c1 288290514 BOXWRBMMVKWOHJ-UHFFFAOYSA-N 377.441 1.655 0 50 GDAA Cc1cc(N2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)n2ncnc2n1 426711316 MKGDMQPUSRRZOK-UHFFFAOYSA-N 378.436 1.720 0 50 GDAA CN1C[C@H](NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C[C@H]1CO 426494500 ZAWZJXRQIGFZAV-SJORKVTESA-N 388.489 1.455 0 50 GDAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)CN2C(=O)CCNC2=O)C1 95498328 SACOELDNORMDQB-ZDUSSCGKSA-N 377.828 1.703 0 50 GDAA COCCN(Cc1ccccc1Cl)C(=O)Cn1ncc(N(C)C)cc1=O 95510156 FYDIPRQWHJXSEX-UHFFFAOYSA-N 378.860 1.638 0 50 GDAA O=C(CN1CCOCC1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95505431 PXQYBAWIENKKTO-OAHLLOKOSA-N 375.498 1.426 0 50 GDAA CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1C 95370937 UNGXVXIMHBGIOA-JKSUJKDBSA-N 382.530 1.468 0 50 GDAA Cc1nc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)n(C)n1 96138548 FSSVEJURVRTIOD-UHFFFAOYSA-N 381.488 1.674 0 50 GDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN(C)c1ccccc1)CC2 91574189 SRXXFUVQKUEMAU-UHFFFAOYSA-N 381.480 1.768 0 50 GDAA CC(C)N(C)[C@@H]1c2ccccc2C2(CCN(S(=O)(=O)N(C)C)CC2)[C@H]1O 23158864 JDLWOFCFCAHODN-MSOLQXFVSA-N 381.542 1.582 0 50 GDAA O=C(NC1CCN(Cc2ccccn2)CC1)[C@H](c1cccnc1)N1CCOCC1 95388548 ICDPIMSTLPTDQM-NRFANRHFSA-N 395.507 1.631 0 50 GDAA Cc1nc(CN2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)n(C)n1 244742220 ODXKMTOOCDNPBG-QAQDUYKDSA-N 375.517 1.632 0 50 GDAA Cc1nc2cc(C(=O)N3CCN[C@H](C)C3)ccc2n1[C@@H]1CCS(=O)(=O)C1 299740245 XLSNOHPIVZQELW-IUODEOHRSA-N 376.482 1.138 0 50 GDAA Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1O 1940195844 QRICBODVVHDTBX-APHBMKBZSA-N 380.872 1.952 0 50 GDAA COc1ccc2[nH]cc(CCNC(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2c1 670453083 YJNJQWLZUNGGDG-UHFFFAOYSA-N 381.436 1.847 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCN1CCCC[C@H]1CO 670437492 HSIXUIBZVBTJSE-SFHVURJKSA-N 392.525 1.614 0 50 GDAA COc1ccccc1N1CCN(C(=O)NCC(=O)Nc2nccs2)CC1 886024577 ITKWAIDJGXQELB-UHFFFAOYSA-N 375.454 1.622 0 50 GDAA Cc1ncnc(N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)c1C 952965509 AFNQQLLWRSVDNH-UHFFFAOYSA-N 377.448 1.757 0 50 GDAA CC(C)c1noc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1 952860025 ACWSYIGZQXKOAW-NSHDSACASA-N 392.437 1.605 0 50 GDAA COc1cc(CN2CC[C@@H](NC(=O)c3[nH]nc4c3CNCC4)C2)cc(OC)c1 188786928 HIZSYBWIPCWTDF-CQSZACIVSA-N 385.468 1.077 0 50 GDAA Cc1cccc2nc(CN(C)C(=O)[C@H]3OCC(=O)N[C@@H]3c3cccnc3)[nH]c12 1529119209 DBRNIYSKMNPXOD-MOPGFXCFSA-N 379.420 1.481 0 50 GDAA CN1CCN(c2ccc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)cc2)CC1 1529099461 XWEAFYVVWDNKKC-CTNGQTDRSA-N 380.492 1.821 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCNc2ncccc2C)OCC(=O)N1C 1529153692 UFQWIJICLQQFTB-MOPGFXCFSA-N 382.464 1.825 0 50 GDAA CN(C)C[C@@]12CN(Cc3ccsc3)C[C@H]1CN(C(=O)c1ccc(N)nc1)C2 1772815646 QWKYGAZYASADCW-PXNSSMCTSA-N 385.537 1.861 0 50 GDAA Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772702799 IVZOZMXPLXPPKA-KKSFZXQISA-N 382.464 1.420 0 50 GDAA OC[C@@H](O)C1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)CC1 1772707050 SKAWXYPCWMKDPW-JOCHJYFZSA-N 392.540 1.743 0 50 GDAA NC(=O)NCCC[C@H](NC(=O)CCn1ccc2c(Cl)cccc21)C(=O)O 206411042 MTVYDLZARQUWJT-ZDUSSCGKSA-N 380.832 1.703 0 50 GDAA CC[C@]12COC(=O)N1CCN(Cc1cc3c(nc1OC)CN(C(C)C)C3=O)C2 1857673980 VPOOCJWMFRRBCW-FQEVSTJZSA-N 388.468 1.871 0 50 GDAA C[C@@H](O)c1nc(-c2ccc3sc(=N)[nH]c3c2)n(-c2ccc3nncn3n2)n1 1857681113 YKWHPZGLVUUQMT-MRVPVSSYSA-N 379.409 1.448 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857723184 XRIQZCZAWSLJSZ-SNDIGXPUSA-N 394.427 1.190 0 50 GDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2 1875242869 GCAQSGOHGLVCOS-MSOLQXFVSA-N 397.475 1.367 0 50 GDAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cn(CC(C)C)cn2)cn1 328626891 MDZSUHYOXNIMRO-DOTOQJQBSA-N 381.502 1.954 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)O[C@@H]2CCC(=O)NC2)C1 809017196 WHFWWZWAFMFULK-CHWSQXEVSA-N 392.456 1.960 0 50 GDAA O=C(Cc1cccnc1)N1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cncn3)C2)C1 1875322232 MQJDOGGLPXWHRI-ZWKOTPCHSA-N 382.468 1.003 0 50 GDAA CS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 1875390597 IOFWRHLHUNBNOL-OAHLLOKOSA-N 396.490 1.316 0 50 GDAA CC(C)OCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(C)(C)C 1875345444 XVSRARWINDBLFL-DLBZAZTESA-N 380.485 1.368 0 50 GDAA O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402129 CCSTUSUSQDZXHS-QXAKKESOSA-N 382.464 1.508 0 50 GDAA O=C1NCC2(CCN(c3ccnc(N4CCOCC4)n3)CC2)Oc2ccccc21 895583103 XMFCTQIAMUCDKO-UHFFFAOYSA-N 395.463 1.475 0 50 GDAA CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@H]1CN1C[C@H](O)C[C@H]1C(N)=O 1775985476 OIWGSPWOXVGSHG-XHSDSOJGSA-N 381.517 1.867 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(C)cc1 1078253 YPBBEYILPSZVHU-JQWIXIFHSA-N 388.445 1.784 0 50 GDAA C[C@@]12CC[C@]3(C)OCC(COC(=O)NS(=O)(=O)c4ccccc4)(CO1)N23 4511572 CEGWASGGHHMSPN-HOTGVXAUSA-N 382.438 1.429 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2ccccc2)cc1OC 2100483017 MLMPOWNAMMSPLC-UXHICEINSA-N 384.432 1.619 0 50 GDAA CC(C)N1C(=O)CO[C@H](c2nc(CC(N)=O)nn2C(C)C)[C@H]1c1ccccc1 2100542824 HMMZQILVWJEDIM-MOPGFXCFSA-N 385.468 1.936 0 50 GDAA CCCC1(C(=O)N=[S@](C)(=O)c2cnn3c2CN(C(=O)[C@@H](C)OC)CC3)CC1 2325785099 BKJFVMAHFOYXNK-PFUSGODGSA-N 396.513 1.824 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NC[C@H]2COc3ccccc3O2)ncn1 2325785685 IYENZGNGBQUHGV-OAGGEKHMSA-N 385.468 1.230 0 50 GDAA C[C@H]1CC[C@@](C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCS2(=O)=O)C1(C)C 2325793103 FKUKWPUNEHAWDK-YPTDYUDTSA-N 396.553 1.838 0 50 GDAA CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2S(C)(=O)=O)C1 2325839400 RVLFEYXXVWGUQY-MJBXVCDLSA-N 398.529 1.273 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cc(F)cc3cnccc23)C[C@H](C(=O)O)S1(=O)=O 2325875353 OMTRLZWXRYWRSX-IAQYHMDHSA-N 394.424 1.770 0 50 GDAA CC(C)(C)C(=O)NCC1CC2(C1)C[C@@H](NC(=O)C1CC=CC1)CCS2(=O)=O 2332237779 KXMFNMWBUITCFJ-FXUPRZHBSA-N 396.553 1.957 0 50 GDAA Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OCC(N)=O 1108915 MQDIBTXJCGQARO-QWRGUYRKSA-N 376.862 1.310 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)ccc1F 2356135296 XOKUBMVFSQDADC-VXGBXAGGSA-N 389.383 1.800 0 50 GDAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3c[nH]nc3-n3cnnn3)C2)[C@@H]2CCCC(=O)N12 2356145559 QABGBERUFYUTAM-XRGAULLZSA-N 398.471 1.027 0 50 GDAA COC(=O)c1coc(CN2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(C)=O)n1 2356166188 WULDBFDGODXKHO-UKHYVGRKSA-N 399.447 1.174 0 50 GDAA CC[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C[C@@H](CC)O1 421274083 QOGGTZYNLQTLOX-VXGBXAGGSA-N 392.408 1.556 0 50 GDAA CC(C)(C)OC(=O)N1C[C@H](CNC(=O)CCc2nc3ccccc3[nH]2)[C@@H](O)C1 225768962 MEYGJOFEIWBLHY-BBRMVZONSA-N 388.468 1.840 0 50 GDAA CCN1CCN(Cc2cnc(S(=O)(=O)C[C@H]3CCCO3)n2CC(C)C)CC1 23374114 LYMGTOHHFGUKNV-GOSISDBHSA-N 398.573 1.629 0 50 GDAA Cc1ccc(N(CC(=O)NCCc2nncn2C(C)C)S(C)(=O)=O)cc1 55154166 SVDDINVPQTWGOM-UHFFFAOYSA-N 379.486 1.292 0 50 GDAA COc1ccc(CN2CCN(Cc3ccc(CO)o3)C[C@H]2CCO)c(F)c1 104466033 RDKQQYADWWJBCR-MRXNPFEDSA-N 378.444 1.988 0 50 GDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 24609855 BTQWEYNGVKHAGZ-UHFFFAOYSA-N 397.516 1.532 0 50 GDAA Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)c(F)c1 247952605 YYEMIOPPEOVRHD-LZWOXQAQSA-N 383.445 1.480 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CN1Cc1ccccn1 119765140 FACYFVBICZDDHY-OAHLLOKOSA-N 382.420 1.008 0 50 GDAA Cc1ccc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCNC(=O)C2)[C@@H]3O)nn1 23251661 QXLGRVLPIQUCTB-RTWAWAEBSA-N 393.491 1.171 0 50 GDAA O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccccc1 140780073 ASMUGMKJGULFRN-IBGZPJMESA-N 379.460 1.766 0 50 GDAA O=C1CN(c2ccc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)cn2)CCN1 170789063 GTTDSPWNOSXHHW-IBGZPJMESA-N 383.427 1.589 0 50 GDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3=O)c2)C1 252457136 DCTKHBPTRVYTJC-IOASZLSFSA-N 381.450 1.826 0 50 GDAA COc1nc2c(cc1C(=O)NCc1cccnc1N1CCN(C)CC1)CCC2 12385805 CYUAMYVCOMJLGI-UHFFFAOYSA-N 381.480 1.656 0 50 GDAA COc1ccccc1/C=C/CN1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77338110 PIOJROAOXCOZKR-AAAWEMBMSA-N 393.509 1.173 0 50 GDAA COCc1nc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)c2cnn(C)c2n1 72129678 QZTSLWLIEBEPSX-HNNXBMFYSA-N 387.532 1.362 0 50 GDAA COc1ccc2cc([C@@H]3CN(C(=O)CCCS(N)(=O)=O)CCO3)ccc2c1 71753229 ZFPAMUVPUQVYEL-SFHVURJKSA-N 392.477 1.817 0 50 GDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1ccc(OC)cc1 34065340 LXVYMTZBKWBTOS-IAGOWNOFSA-N 388.468 1.039 0 50 GDAA Cc1nc(C2CCN(C(=O)[C@H](C)n3cnc4ccccc4c3=O)CC2)cc(=O)[nH]1 32592951 RIHCLJAIPNKQLC-ZDUSSCGKSA-N 393.447 1.755 0 50 GDAA O=C(CCCN1CCOCC1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72169450 RGTGSUALXFLXFL-SFHVURJKSA-N 377.460 1.198 0 50 GDAA COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@@H]1CN1CCOCC1 378298420 ZJZLHIOVAQPSTK-MRXNPFEDSA-N 390.484 1.726 0 50 GDAA COc1cccc(N2C[C@@H](C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1 82156972 FDNNZSLMFZLCCY-GFCCVEGCSA-N 383.452 1.491 0 50 GDAA CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H](C)CN2CCN(C)CC2)no1 177562310 FWPRGDUXMNYYFL-HOTGVXAUSA-N 378.521 1.923 0 50 GDAA NC(=O)c1ccc(-c2ccc(C(=O)NCCCN3CCC[C@@H](O)C3)cc2)nc1 426488174 IASCYZDHKCXGBB-GOSISDBHSA-N 382.464 1.424 0 50 GDAA NC(=O)CC[C@H](N)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 426606774 RBNJKZZESHYKTE-KRWDZBQOSA-N 380.448 1.122 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O 239297006 DOLJWTINUGDGHB-DISONHOPSA-N 379.409 1.010 0 50 GDAA O=C(C[C@@H]1CCc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 91860586 IEEBDUDLIQCQOZ-KRWDZBQOSA-N 377.510 1.591 0 50 GDAA CSCCN1CCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)CC1 96149410 LOIJUJPPQKIURZ-UHFFFAOYSA-N 379.511 1.735 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)CCc1ccc3c(c1)OCO3)CCN2C 95512658 CZRFMKSAHAQNTF-NRFANRHFSA-N 387.480 1.503 0 50 GDAA Cc1ncc(C(=O)N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)cn1 96131759 IQIXMRQOMLVVRK-UHFFFAOYSA-N 383.500 1.919 0 50 GDAA CCN(C)S(=O)(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 92028972 DWWQUXLLWIJFND-UHFFFAOYSA-N 380.514 1.483 0 50 GDAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1ccnn1Cc1ccccc1 95530652 ARGKDZGGKYLYKQ-UHFFFAOYSA-N 377.470 1.479 0 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Cc1nc(-c2ccc(C(=O)N3CCN(CC4CC4)[C@@H](CCO)C3)cc2)nn1C 584892453 XFDOASGIGBCALG-IBGZPJMESA-N 383.496 1.709 0 50 GDAA Cn1ccnc1CN1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 1073382103 GRANZRUXZTVGBT-SFTDATJTSA-N 383.540 1.216 0 50 GDAA Cn1ncc(Cl)c1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565529485 HOIOQIKPWIRBCI-KBPBESRZSA-N 379.800 1.738 0 50 GDAA CC(C)[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1NS(=O)(=O)N(C)C 1565510670 KCBRUOKLRXOJPL-MOPGFXCFSA-N 391.541 1.725 0 50 GDAA CN1C(=O)CC[C@H](c2nc(C(C)(C)NS(C)(=O)=O)no2)[C@@H]1c1ccccc1 274022219 OTXYGOXCWBOOEJ-ZFWWWQNUSA-N 392.481 1.931 0 50 GDAA COc1cccc(OC)c1S(=O)(=O)N[C@H](C(=O)O)c1c(C)nn(C)c1C 275066154 KMTRVBGLCYOQSR-AWEZNQCLSA-N 383.426 1.158 0 50 GDAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2COc3ccccc32)cn1 275708789 UUUNLVZELFBATC-HUUCEWRRSA-N 376.438 1.035 0 50 GDAA Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 170610357 GDYWASQCTRGCTJ-OAHLLOKOSA-N 376.482 1.547 0 50 GDAA COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)O 832976 AGSBUWUSFSMNCG-CXUHLZMHSA-N 382.397 1.929 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)[C@H]1O 1704339150 FDYQNGHTVUZQKO-DLBZAZTESA-N 390.465 1.107 0 50 GDAA COc1cc(-c2onc(NCCN3CCN(C)CC3)c2C(=O)O)ccc1F 1704326089 WJCKXFIUBMAAQP-UHFFFAOYSA-N 378.404 1.847 0 50 GDAA CCOC(=O)[C@]12CC[C@H](N3CCOCC3)C[C@@H]1CCN(Cc1cnc[nH]1)C2 217001062 SJRYTBXJSCMJOM-QRFRQXIXSA-N 376.501 1.666 0 50 GDAA CCc1cc(NCCS(=O)(=O)c2ccc(F)cc2)nc(N2CCOCC2)n1 1704336624 ZPLJAQWZMVUDEJ-UHFFFAOYSA-N 394.472 1.901 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1ccc(F)cc1)C2 225405086 BPPAKQFQAXNTPR-WBVHZDCISA-N 375.444 1.296 0 50 GDAA Cc1cnc2c(C(=O)N3CCCN(Cc4noc(C(C)C)n4)CC3)cnn2c1 1772710928 UDIJYUVMRABFFP-UHFFFAOYSA-N 383.456 1.892 0 50 GDAA Cc1nonc1CC(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 12711925 NCCZDCBRPPQIOR-UHFFFAOYSA-N 393.451 1.354 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 12751865 CVNUHNVZDKQDQQ-FQEVSTJZSA-N 395.507 1.090 0 50 GDAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 14750321 CHKLQZURQQUTAW-UHFFFAOYSA-N 377.489 1.382 0 50 GDAA O=C(NCCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@@H]1CCCO1 14969821 VMRIDTWOQKMSPH-XMUUHYKESA-N 385.468 1.280 0 50 GDAA CCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(C)n1)CCO2 1857692391 BZLSNUKFUXFCBS-UHFFFAOYSA-N 381.498 1.323 0 50 GDAA CN(C)C(=O)CCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857713251 NEFJFCMPIXPTNY-PXNSSMCTSA-N 391.516 1.043 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)Cc2ccc(F)cc2F)[C@H]1c1cnn(C)c1 1857726496 UOAVBLVJAGGOJJ-HKUYNNGSSA-N 378.423 1.771 0 50 GDAA O=C(NCCN1CCNCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857728221 SATGPUMZBVQIGN-CQSZACIVSA-N 391.903 1.719 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cccc(C(=O)O)c3)C[C@H]2CO1 1857729731 FPCOERXHPIBHIP-SQNIBIBYSA-N 398.463 1.741 0 50 GDAA CCOCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3 1857731571 KHHXPAXKIGTMQR-WFXMFSGNSA-N 379.526 1.892 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3ccncc3)CC[C@H]2O)cn1 1875245131 LGAUAUUYUAIDCV-QXAKKESOSA-N 382.464 1.403 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)c(C)c1 1704300550 YTYRDVZYNOTIHE-WMZOPIPTSA-N 383.510 1.667 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1cc2c(cnn2C)nc1C 1875312612 GPAMYLKPCSELID-UHFFFAOYSA-N 375.410 1.189 0 50 GDAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1N=c1[nH]c2cc(Br)cnc2[nH]1 1875399317 VYMBTHNIKIBLSC-UFGOTCBOSA-N 377.246 1.590 0 50 GDAA O=C(NC[C@@H]1CCC(F)(F)C(=O)N1)NCC1(CO)CC(c2ccccc2)C1 1875404811 VYHBTPYVYQJTSR-CSLYMUCUSA-N 381.423 1.756 0 50 GDAA Cc1cc(CN2CCC(c3ncc(C(=O)N4CCNC(=O)[C@@H]4C)o3)CC2)on1 888103424 ZSDHTSIXTARLSC-ZDUSSCGKSA-N 387.440 1.311 0 50 GDAA Cc1ccc(C(C)C)c(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 2355912 VECQKJYWXFSGIZ-UHFFFAOYSA-N 385.468 1.893 0 50 GDAA biogenic O=C1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2CN2C(=O)c3ccccc3C2=O)C(=O)N1 1857798176 SFKNISOYQJAZHF-ZENOOKHLSA-N 397.431 1.010 0 50 GDAA COc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2)c1 2226068 MKNASCFCXDWJQO-QGZVFWFLSA-N 385.395 1.804 0 50 GDAA Cc1[nH]nc2c1CN(C(=O)[C@H]1C[C@H]3CCCN3[C@]13C(=O)Nc1ccccc13)CC2 2356161901 OLWXNTUSPVHPFJ-SRVWHDFXSA-N 391.475 1.935 0 50 GDAA Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCO 10233424 IGPVXBYOGRXEEH-UHFFFAOYSA-N 387.827 1.152 0 50 GDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccs3)CC2)n1 67613582 MMDFGSSFPQIKCQ-UHFFFAOYSA-N 386.525 1.561 0 50 GDAA O=C(CCn1cncn1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 65404416 UBSFWVYTKMJLEW-UHFFFAOYSA-N 381.440 1.024 0 50 GDAA CN(C)c1ncccc1CNC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C 67713645 RNJXVZJLXUGDAY-INIZCTEOSA-N 394.479 1.535 0 50 GDAA CCn1c(C2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)n[nH]c1=O 67727395 DBDHWZJEEPGIFM-UHFFFAOYSA-N 380.452 1.856 0 50 GDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1nnnc1CN1CCCCCC1 12316449 KVPPRAUCXSIBSH-UHFFFAOYSA-N 386.504 1.310 0 50 GDAA Cc1cc(N2CCC[C@H](N(Cc3csc(C)n3)S(C)(=O)=O)C2=O)n(C)n1 328608666 AXCLIAYAHYMHNJ-AWEZNQCLSA-N 397.526 1.451 0 50 GDAA CCCc1noc(CCCC(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)n1 153078503 PAQNPPAMACSZRD-UHFFFAOYSA-N 392.481 1.842 0 50 GDAA COCCN(C)c1cnn([C@H]2CCCN(Cc3nc(C)cs3)C2)c(=O)c1 328602569 CDHPYKPKRUXFAU-HNNXBMFYSA-N 377.514 1.928 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3[nH]cc(C)c(=O)c3C)C2)CC1 72174572 SLEHIOYLVSADPQ-KRWDZBQOSA-N 376.501 1.730 0 50 GDAA O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)c1ccc(Cl)cc1 171273409 UFDQHBGSJMWCML-UHFFFAOYSA-N 380.853 1.759 0 50 GDAA CSCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71753793 PZIHEXZEOYHKHB-KRWDZBQOSA-N 390.553 1.764 0 50 GDAA CC(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O 262700756 YTZMCPZJMQLVGT-QGZVFWFLSA-N 396.509 1.849 0 50 GDAA COc1ccnc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1OC 77459775 SDVYGNONECXOJW-HXUWFJFHSA-N 377.485 1.686 0 50 GDAA CCC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72408427 NWORJLFWPMBGCU-KGLIPLIRSA-N 385.873 1.592 0 50 GDAA CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]ncc3C2)ccc1F 172218081 APHQMTBISFLUIQ-ZDUSSCGKSA-N 394.472 1.913 0 50 GDAA C[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1nc2ccccc2n1C 136519108 GJZXGGGFGYSQSY-LBPRGKRZSA-N 397.460 1.489 0 50 GDAA COc1cccc([C@H]2C[C@H](C(=O)Nc3cc(C)on3)N(C)S(=O)(=O)N2)c1 40474462 LGIISTRDXSQVTD-ZIAGYGMSSA-N 380.426 1.210 0 50 GDAA O=C(NCC1(N2CCOCC2)CCCC1)N1CCC[C@@H](Cn2ccnc2)C1 426612364 IVIRNGVIEDDWCO-SFHVURJKSA-N 375.517 1.950 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1)c1ccco1 95506127 CLPHKVQBKXNYED-GFCCVEGCSA-N 386.433 1.631 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)CN1C(=O)c1ccco1 96140388 WJEFGOUVWFFLTM-KBPBESRZSA-N 375.450 1.419 0 50 GDAA CN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCNS(C)(=O)=O)CC2 95527636 SIISNPQFLSSUNC-QGZVFWFLSA-N 379.526 1.406 0 50 GDAA CNCc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 237312241 AJTPTMVSBZEMSV-OAQYLSRUSA-N 378.432 1.738 0 50 GDAA COc1cc2c(cc1CN1CCC3(CC1)NC(=O)C[C@H]3C(=O)O)OCCO2 95383631 CAQHGTXAEYUXLS-ZDUSSCGKSA-N 376.409 1.022 0 50 GDAA O=C(NCCn1cccn1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl 96149595 XBTFRLNZKAKUJQ-UHFFFAOYSA-N 377.832 1.831 0 50 GDAA CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2 96150684 KUVUKTRCTSWKQF-KRWDZBQOSA-N 382.464 1.017 0 50 GDAA CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1CCNC1 179107320 OMQBXYDXLWVTQL-LBPRGKRZSA-N 379.258 1.369 0 50 GDAA O=S(=O)(N1CCCC1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95527608 UTADTFKRGWYBHF-INIZCTEOSA-N 375.498 1.846 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(F)cc1 299751766 RQLQIWZDKLHVJR-PBHICJAKSA-N 385.395 1.901 0 50 GDAA Cc1nnc(SCCCNC(=O)c2ccc(-n3cnnn3)cc2O)s1 825296809 WSCVCATVXNTLBJ-UHFFFAOYSA-N 377.455 1.440 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)CSC)C[C@@H]1N(C(=O)C(=O)c1ccco1)CC2 584896239 ONKXHPZBLWIFDF-UVBSCNOISA-N 380.466 1.480 0 50 GDAA N=c1nn[nH]n1CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 952964815 ABJGIBAQDNECMK-UHFFFAOYSA-N 376.424 1.233 0 50 GDAA COc1ccc2c(c1)C=C(CN1CCN(c3ncccc3C(N)=O)CC1)CO2 952982136 QEDTXTQHDMZILY-UHFFFAOYSA-N 380.448 1.787 0 50 GDAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H](C(=O)N(C)Cc3ncccc3C)C2)cn1 1565526724 AEPSOKKCKRTCEW-SJORKVTESA-N 381.480 1.916 0 50 GDAA NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1ccccc1OC(F)F)CC2 277450880 GFNINDKYSUHQSY-NSHDSACASA-N 378.379 1.505 0 50 GDAA Cc1ccccc1N1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 1506410974 WATGEHGMHMDRIG-UHFFFAOYSA-N 381.498 1.549 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(OCc3cccnc3)CC2)C1 1506400640 FKADZPIJAWNGJX-QGZVFWFLSA-N 383.514 1.666 0 50 GDAA O[C@H]1CCCN(c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)C1 1529181918 RESPZMZDONXFKE-KRWDZBQOSA-N 375.517 1.885 0 50 GDAA Cc1c(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)cnn1C 1529107264 YKZHJCBPWCXFBJ-SJORKVTESA-N 376.844 1.597 0 50 GDAA CCc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)s1 1772706643 WQSRNZPAMJIXBS-CABCVRRESA-N 393.509 1.422 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 11815736 VRQQSLZOVCSSRE-MRXNPFEDSA-N 391.443 1.865 0 50 GDAA COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O 12374020 IOUWWCDNTDRKPZ-AWEZNQCLSA-N 383.452 1.639 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2cc(CC(C)C)n[nH]2)CC1 12437371 HKBZVGIPNQAGAY-UHFFFAOYSA-N 384.484 1.602 0 50 GDAA Cc1ncoc1C(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2cccnc2)C1 14532020 MCNWWYQNKNFSOQ-KRWDZBQOSA-N 386.452 1.904 0 50 GDAA N=c1cc(-c2nccn2-c2ccc(OC[C@@H](O)Cn3ccnc3)cc2)cc[nH]1 1857687281 ODCXLOYWDFOYIZ-KRWDZBQOSA-N 376.420 1.983 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccccn3)CC(=O)N2[C@H]1c1ccccc1 1857708734 LDFYSUYDGUFRGN-BXWFABGCSA-N 379.416 1.669 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@]23CC[C@H]1O3 1857719247 HYDWUNZSBGOHBM-HNSFDTNUSA-N 388.449 1.489 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 1857734361 IXBFZMZGKUJFIQ-UHFFFAOYSA-N 382.449 1.721 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 225656925 JUIGHOYHDGZDIX-SBKAZYGRSA-N 396.328 1.847 0 50 GDAA Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCNC[C@H]2c2cn[nH]c2)cc1 1875292652 OOOAVQQQWQGSGQ-YOEHRIQHSA-N 387.509 1.951 0 50 GDAA O=C(Cn1cncn1)N1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875394515 LDCQFQHUDYUCLW-HNNXBMFYSA-N 386.456 1.467 0 50 GDAA O=C(NC[C@@H]1COCCN(C(=O)Cc2cncc(O)c2)C1)c1cccc(F)c1 1875331841 WMBSTSFVBRBDND-HNNXBMFYSA-N 387.411 1.374 0 50 GDAA Cc1nc(C(=O)NC2CC3(CC(CO)C3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404037 RFWSIOYOVZHMPN-MLAOLYDTSA-N 387.528 1.515 0 50 GDAA CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 2325700104 DOYCJICKRJTACE-UHIISALHSA-N 380.441 1.989 0 50 GDAA NC(=O)CCSc1ccccc1NC(=O)Cn1c(=O)c(=O)[nH]c2ccccc21 2325724058 MXQVKOCZIVWNFM-UHFFFAOYSA-N 398.444 1.296 0 50 GDAA CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 2325794999 ZHAZIWORKAVAQS-APIJFGDWSA-N 385.455 1.834 0 50 GDAA COC(=O)c1nn(C)cc1NC(=O)c1ccc2c(Br)cnn2c1 2325840696 LYQBIIOYOKGVKB-UHFFFAOYSA-N 378.186 1.869 0 50 GDAA O=C1NCCCN(C2CC2)C(=O)[C@]2(CC=CCc3ccccc31)CNCCO2 2325893997 ICELDKYYZUCLLM-QFIPXVFZSA-N 383.492 1.659 0 50 GDAA Cn1ccc(CC(=O)N2CC3(C[C@H](NC(=O)[C@]4(C)C=CCC4)c4nccn43)C2)n1 2332238079 XYZCAFOQLUNIPR-OXJNMPFZSA-N 394.479 1.314 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356158885 CWCPZBVKUKNCNO-OAQYLSRUSA-N 396.495 1.598 0 50 GDAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)nc2ccccn2c1=O 4772893 RGULZYWINVBGFW-ZDUSSCGKSA-N 392.799 1.165 0 50 GDAA Cc1ccc([C@H]2COCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)o1 116703317 YUQROSCMPPGAIA-CQSZACIVSA-N 389.433 1.853 0 50 GDAA Cc1oc(-c2ccc(F)cc2F)nc1CN(CCO)[C@@H]1CCS(=O)(=O)C1 20109480 GNHBPPGGRDUHIB-CYBMUJFWSA-N 386.420 1.910 0 50 GDAA COCCNc1cc(-c2cncc(C(=O)N3CCOCC3)n2)c2cc[nH]c2n1 72432252 LEJOYRHUBITIAH-UHFFFAOYSA-N 382.424 1.551 0 50 GDAA O=C(NCCn1cccn1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 186988590 NAQXZOLLFAPNMD-UHFFFAOYSA-N 375.380 1.285 0 50 GDAA O=C(NCc1ccco1)C1CCN(S(=O)(=O)NCc2ccccc2)CC1 71757281 HFEYIMHLAHEVTP-UHFFFAOYSA-N 377.466 1.642 0 50 GDAA CCSc1ncc(CN2CCOC[C@H]2CC(=O)NCC(F)(F)F)cn1 72408850 GBHQNEIXRJLKQO-GFCCVEGCSA-N 378.420 1.858 0 50 GDAA O=C(CCC(F)(F)F)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 77487447 LZTBITIBUMZIFQ-KGLIPLIRSA-N 391.415 1.234 0 50 GDAA Cn1cc(S(=O)(=O)NCCN2CCC[C@](O)(c3ccccc3)CC2)cn1 368058764 QTVSLIQKFPCMRQ-GOSISDBHSA-N 378.498 1.072 0 50 GDAA 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CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@H]1O 1529171885 FOVQSFDZUOPOIH-FUHWJXTLSA-N 395.525 1.001 0 50 GDAA O=C(c1ccc(NCCS(=O)(=O)c2ccc(F)cc2)nc1)N1CCOCC1 1704316566 VEEYNYZWSIDCJU-UHFFFAOYSA-N 393.440 1.579 0 50 GDAA COc1cc(C(=O)N2CCCN(C(=O)CCCNC(C)=O)CC2)ccc1C 1772700652 HRCGRFXCLIUQKI-UHFFFAOYSA-N 375.469 1.594 0 50 GDAA COc1ccc(N2C(=O)CN(C(=O)[C@@H](NC(C)=O)C(C)C)CC2(C)C)cc1 14879437 XFSFTYXWGZXRDG-SFHVURJKSA-N 375.469 1.810 0 50 GDAA Cc1cnc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cnc(C3CC3)nc2)cn1 1857682816 OGVBWNWTYHZWSB-IRXDYDNUSA-N 378.436 1.468 0 50 GDAA O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H]2[C@@H]1CC(=O)N2C1CCOCC1 1857686781 HHMSPJNRMPFKJN-ROUUACIJSA-N 382.464 1.876 0 50 GDAA CN1CC[C@]2(C(=O)N3C[C@H]4CC=CC[C@H]4C3)CCCN(C(=O)c3cn[nH]c3)[C@H]2C1 1857694282 JJBRDKAYZNKROF-WCIYBSDLSA-N 397.523 1.761 0 50 GDAA CNCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NC(C)(C)C)sc12 1857694590 FAYQVRABHGQIQE-UHFFFAOYSA-N 379.526 1.886 0 50 GDAA O=C(c1cnc2cccnn12)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857707925 AAHAHXWYNXZSED-ROUUACIJSA-N 391.431 1.371 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3ccnc(C)c3)CC2=O)s1 1857717454 UHCOWXWPXGCASE-CYBMUJFWSA-N 375.454 1.447 0 50 GDAA Cc1cnc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)[nH]1 1857729695 IAWCTZPYLMLZQJ-FQEVSTJZSA-N 384.484 1.530 0 50 GDAA CC(=O)N1CCC(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)CC1 1857738192 WIRKQDBYILLOLC-JQVVWYNYSA-N 397.475 1.546 0 50 GDAA O=C(Nc1cnc2c(c1)CN(C(=O)CCCn1cncn1)CC2)c1cnccn1 1875250821 JWSWVARNSVATER-UHFFFAOYSA-N 392.423 1.081 0 50 GDAA COc1ccc(NC(=O)c2cn(CCNC(=O)c3csc(C)n3)nn2)cc1 20999818 RIEHJWJLFLRKNN-UHFFFAOYSA-N 386.437 1.734 0 50 GDAA CCOc1cc(CNC(=O)N2CCC(N3CCNC3=O)CC2)ccc1OC 265198961 ZVYKSIHILCCBTO-UHFFFAOYSA-N 376.457 1.793 0 50 GDAA Cc1c(S(=O)(=O)N[C@@H]2C[C@@H](N)C23CCOCC3)cnn1-c1ccc(F)cc1 1875283828 DHYYSQLFWFTNPL-IAGOWNOFSA-N 394.472 1.495 0 50 GDAA CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2C3(F)F)[C@H](c2ccccc2)C1=O 1875307583 FFTBIGMEXHBIPM-SPYBWZPUSA-N 391.418 1.580 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cnc(N(C)C)o2)N1Cc1ccccc1 1875397164 OEYLTLMTIRWLQN-QRWLVFNGSA-N 388.468 1.122 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)CC1 1875365362 FHDRKYJULRUFCB-MRXNPFEDSA-N 384.436 1.885 0 50 GDAA NS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@H]2[C@@H]2CCOC2)c1 1875392260 PYVGAESQGWIMSV-RNCFNFMXSA-N 389.271 1.348 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(c3ocnc3C(=O)OC)CC2)C1 1875371731 KQNDZUZZDZBFBX-AWEZNQCLSA-N 375.425 1.592 0 50 GDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C1 885304338 WMUVCMDCJYRLJP-SECBINFHSA-N 387.255 1.946 0 50 GDAA C[C@H](O)C(=O)N1CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N(C)C)CC1 2325716890 ADGAJRALCNYPMJ-NHYWBVRUSA-N 388.295 1.648 0 50 GDAA CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccnc(O)c3)C(C)(C)C2)CCN1C 2325794852 UGNJGOIYGNUSSE-GVDBMIGSSA-N 388.512 1.874 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 2325888568 FYNSJFRVAFJBTJ-OAHLLOKOSA-N 375.494 1.847 0 50 GDAA O=C1C[C@H](C(=O)Nc2ccc(F)cc2)NC(N2CCN(c3ccccc3)CC2)=N1 4914796 MOZIHOFTYMMRHW-GOSISDBHSA-N 395.438 1.831 0 50 GDAA C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)NC(C)(C)C 222148174 PFQIYIYAUZXLSW-UKRRQHHQSA-N 375.469 1.848 0 50 GDAA COC(=O)CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 170625501 MDXVYHVIEXBDNE-UHFFFAOYSA-N 389.404 1.873 0 50 GDAA biogenic Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)sc3nc12 20312440 DSGHSKQWHYJBCV-UHFFFAOYSA-N 386.477 1.670 0 50 GDAA COc1cccc2c1OCCCN(C(=O)Cn1ncc(N3CCCC3)cc1=O)C2 23398177 QKMSOTBPIGXYHJ-UHFFFAOYSA-N 398.463 1.663 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCc3n[nH]cc3C1)CO2 67821127 KTGZPRQBLDABJV-OAHLLOKOSA-N 383.452 1.284 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](c2nnc(CCc3ccc(Cl)s3)o2)C1 328648866 UTUKGOFYJVQWPI-SNVBAGLBSA-N 377.875 1.903 0 50 GDAA CC(C)OCCS(=O)(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 374415298 LUUZISGVHVQRDI-LBPRGKRZSA-N 387.483 1.926 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 367558377 ALFOXRZQJKDFEZ-NSHDSACASA-N 395.466 1.602 0 50 GDAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cnccn4)CC3)nc(C)n2)n1 72446819 MERHNCDHQHPFCX-UHFFFAOYSA-N 378.440 1.340 0 50 GDAA CC1(C)COCCN1CCNC(=O)N1CCn2c(Cc3ccccc3)nnc2C1 377885518 XYWHIJRZAKZBHX-UHFFFAOYSA-N 398.511 1.505 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3n2)C1 222228862 XAQMBALHXKTPIX-SHTZXODSSA-N 381.436 1.641 0 50 GDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3ncccc3c1)C2 221217816 SRJMYCZVRVPYBW-HXUWFJFHSA-N 379.464 1.959 0 50 GDAA Cn1cc(S(=O)(=O)N2C[C@@H](n3ccnc3)Cc3ccccc32)cc1C(N)=O 174265016 PINLHWQHKPFAJQ-AWEZNQCLSA-N 385.449 1.313 0 50 GDAA Cc1noc(CN2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 82087109 BCEHMJGUAZMBAD-QGZVFWFLSA-N 398.511 1.766 0 50 GDAA C[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2cncc(C(=O)N(C)C)n2)cc1 426445497 IFEJVKLCNZXFRZ-ZDUSSCGKSA-N 379.424 1.255 0 50 GDAA CCN1CCC[C@@](C)(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)C1 92081002 DIGDSKVUNILJMD-LJQANCHMSA-N 376.505 1.119 0 50 GDAA COc1nc2c(cc1CN1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)C(=O)N(C(C)C)C2 426434845 MIEYQBXMDXWCTO-FYINFDKHSA-N 389.496 1.959 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(C(N)=O)ccn1)C2 95372181 RDDMIJVXHVJBBR-OPYAIIAOSA-N 388.512 1.524 0 50 GDAA COc1cc2c(cc1CN1C[C@H]3CC[C@@H]1CN(C(=O)c1cnccn1)C3)OCO2 95372102 NADWIJGCABUJPU-GDBMZVCRSA-N 396.447 1.951 0 50 GDAA COc1cccc2c1NC(=O)C[C@H]2C(=O)N1CCC(CN2CCCC2=O)CC1 91781130 ZOKKTBMLCPLKMH-MRXNPFEDSA-N 385.464 1.982 0 50 GDAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 95367102 GOGGLPQBFPUGIP-QGZVFWFLSA-N 383.492 1.917 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1nc(N2CCCC2)ncc1Cl 299752085 SRWYWKYVRSBUDJ-LBPRGKRZSA-N 382.848 1.826 0 50 GDAA CC(C)Cc1noc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 534631784 BNMNMKXBVKVKJA-INIZCTEOSA-N 375.404 1.790 0 50 GDAA CCCN1C[C@H](NC(=O)c2cccc(-c3cn(C)nc3C(=O)OC)c2)CC1=O 534576718 MJMDLHPXBRWGQH-OAHLLOKOSA-N 384.436 1.614 0 50 GDAA CN(C)Cc1ccc(CSCCNC(=O)N2CCS(=O)(=O)CC2)o1 534589465 MERXBBKTHILDMM-UHFFFAOYSA-N 375.516 1.014 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(Cc1ccc(S(C)(=O)=O)cc1)CC2 824506422 FGILLXURUOIFNJ-NZSAHSFTSA-N 380.510 1.738 0 50 GDAA CCn1c(CNC(=O)N2CCc3[nH]nc(C(=O)NC)c3C2)nc2ccccc21 584894991 WVAURELMCTVMIR-UHFFFAOYSA-N 381.440 1.407 0 50 GDAA Cc1nonc1CC(=O)N1CCC(CNC(=O)[C@@H](C)Oc2ccccc2)CC1 952987131 JOJZSKYMVAZATE-OAHLLOKOSA-N 386.452 1.743 0 50 GDAA O=C(NCC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1)c1cscn1 952987260 LCFWMYASXZVVFC-UHFFFAOYSA-N 397.464 1.401 0 50 GDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1c(Cl)nc2sccn12 1565508428 GRYICOSMVYHBAP-JXUBOQSCSA-N 376.891 1.045 0 50 GDAA COc1ccc(-n2ncc(C(=O)N3CCC(C(=O)O)CC3)c2C(F)(F)F)nn1 408526084 QKJPEOJLRCEXCA-UHFFFAOYSA-N 399.329 1.627 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 189715333 UUDPINHCTRSVPW-IBGZPJMESA-N 394.479 1.595 0 50 GDAA CCCc1nc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)nn1-c1ccccc1F 191850249 NKVRXZTWFXRVRV-ZDUSSCGKSA-N 394.472 1.866 0 50 GDAA Cc1ccn(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(=O)c1 194513000 RFKCATXQVWMTMR-INIZCTEOSA-N 386.471 1.925 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)C[C@@H]12 1704315836 WOYVGNKZUKUZMQ-QAPCUYQASA-N 380.466 1.101 0 50 GDAA CCc1ccc(N2C(=O)[C@@H]3Nc4nc(NCCOC)nc(O)c4[C@H]3C2=O)cc1 1740816686 ORLFAPPTPINECI-TZMCWYRMSA-N 383.408 1.254 0 50 GDAA Cc1ncn(CCNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)c1C 1772808613 VUDYRIKKOPCWGE-OAHLLOKOSA-N 389.525 1.714 0 50 GDAA CC(C)OCCCNCc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 12301524 ZURCDZNFBAJTMT-FQEVSTJZSA-N 380.529 1.788 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CN2CCOC2=O)cc1 12746492 RXAPCBZWFWCVTE-UHFFFAOYSA-N 389.496 1.860 0 50 GDAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@@H](C)CO)CC2 14749674 XNECKDCEXKIBRT-INIZCTEOSA-N 390.484 1.098 0 50 GDAA COC(=O)c1cc(C(=O)OC)n(CCN(C)CCn2cnc3ccccc32)n1 1857667579 ZGWHSKVDTPEBHL-UHFFFAOYSA-N 385.424 1.438 0 50 GDAA COc1ccc(-c2nc(CNC(=O)[C@H]3CCCCn4nnnc43)c(C)o2)cc1O 1857679590 NPRXZEQIRRCWAU-ZDUSSCGKSA-N 398.423 1.935 0 50 GDAA Cc1cccc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccn(C)n2)CO3)n1 1857694210 FBUHDQKXGRKSJW-LJQANCHMSA-N 379.424 1.197 0 50 GDAA O=C(Nc1ccc(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1)C1CC1 1857696321 WAIHNADURWTDSY-LAUBAEHRSA-N 385.464 1.067 0 50 GDAA O=C(NCCc1ncc[nH]1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857710383 UUYUHKVMKXILPM-CQSZACIVSA-N 396.476 1.564 0 50 GDAA COC(=O)C1(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)CC1 1857730531 VTWMJRVCDIYKEZ-HRCADAONSA-N 378.856 1.924 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 5460495 XKRKYGJJNTVCTJ-UHFFFAOYSA-N 383.452 1.344 0 50 GDAA CNc1cc(N2CCC[C@@H]2CNc2ccc(C(=O)NCCOC)cn2)ncn1 266402035 PMTKSQJQBKMQGE-OAHLLOKOSA-N 385.472 1.370 0 50 GDAA CN(CCN1CCNCC1)Cc1nn(CC(F)(F)F)cc1Br 1875284016 JRTLPLMWQMGIDE-UHFFFAOYSA-N 384.244 1.545 0 50 GDAA COc1cccc([C@H](CNC(=O)c2cnn3c2C(=O)NCC3)N2CCCC2)c1 1875292572 MKNNAPUMECQMRC-KRWDZBQOSA-N 383.452 1.202 0 50 GDAA NC(=O)c1ccc(CN2C(=O)CC[C@H](n3cc4c(O)cccc4n3)C2=O)cc1 1875358953 OGCAGHRCSBCVTL-INIZCTEOSA-N 378.388 1.731 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)NC3(C)CCS(=O)(=O)CC3)ccc21 1875303063 TVOROBVPUWAREG-UHFFFAOYSA-N 376.478 1.849 0 50 GDAA O[C@H]1CCc2nn(Cc3ccc(Cn4cc5c(n4)CC[C@@H](O)C5)cc3)cc2C1 883004869 XNUJZEHLNBQKLH-BGYRXZFFSA-N 378.476 1.875 0 50 GDAA COC(=O)c1ccc(Br)cc1NC(=O)COC1CN(C(C)=O)C1 891295725 FDMDKUCMVDPCNC-UHFFFAOYSA-N 385.214 1.422 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[C@H]1O)c1ccc2nn[nH]c2c1 2100483589 GSTZWMFCKFZNJC-KFKAGJAMSA-N 393.447 1.186 0 50 GDAA COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20051515 GBOFSCMNLDEIPY-MRXNPFEDSA-N 378.860 1.368 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2)cc(-n2cccn2)n1 23144514 QGCVCHFQMWCSTF-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA O=C(NCC1(F)CCNCC1)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325778269 NNTFFTYBXPKTOB-CYBMUJFWSA-N 381.423 1.445 0 50 GDAA Cc1ccc(CNC(=O)C(C(=O)NCc2ccc(C)cn2)[C@@H]2CCOC2)nc1 2325797276 UIRCGXCVIJXLEA-MRXNPFEDSA-N 382.464 1.679 0 50 GDAA COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)Cn1ccc(=O)c(O)c1C 2325869938 CCZPZBQPZUATCD-HNNXBMFYSA-N 384.388 1.509 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)CC1 2325883543 FLSMBQOQNICXHM-UHFFFAOYSA-N 377.466 1.064 0 50 GDAA NCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cc1 2325897042 MTHSUDZQWMZFOQ-QGZVFWFLSA-N 392.415 1.159 0 50 GDAA CSc1ncc(N2CCOCC2)c(NS(=O)(=O)c2ccc(N)cc2)n1 626161 KBXAVPGIUCWTPU-UHFFFAOYSA-N 381.483 1.418 0 50 GDAA O=C(O)c1ccc(OCOc2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O 2941218 GFVMVBFRZVBGJD-UHFFFAOYSA-N 376.273 1.895 0 50 GDAA CCc1c(C)nc2nc(=NC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)[nH]n2c1O 2356170115 VNOYXWMWQRLNIG-NSHDSACASA-N 398.398 1.253 0 50 GDAA O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCOCC1 100623593 RPAUZIPJAFTKEN-QXCZDIPSSA-N 380.444 1.264 0 50 GDAA COc1cc(CN2CCC(C(=O)NCCCN(C)C)CC2)cc(OC)c1OC 22241625 CARWONGOTLHNNU-UHFFFAOYSA-N 393.528 1.992 0 50 GDAA CCCCn1c(CN2CCN(c3cnccn3)CC2)cnc1S(=O)(=O)CC 20599214 ZRWHTCUOBWQBGQ-UHFFFAOYSA-N 392.529 1.589 0 50 GDAA O[C@H]1CCCN(Cc2cn(CC3CCN(C4CCSCC4)CC3)nn2)C1 23339982 MYEZTNJLQSCMHK-IBGZPJMESA-N 379.574 1.842 0 50 GDAA Cc1cccnc1CN(C)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67947928 XRPOZGQLBRNPCW-UHFFFAOYSA-N 381.479 1.616 0 50 GDAA CCOc1ccccc1OCc1nn2c(CN3CCOCC3)nnc2s1 67604159 CKMTYUBUTHGJCO-UHFFFAOYSA-N 375.454 1.996 0 50 GDAA Cc1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(=O)n(-c2ccccc2)n1C 22310142 PHJFVXRHQKEVCN-UHFFFAOYSA-N 392.481 1.095 0 50 GDAA CN(C)c1nc2c(c(N3CCC[C@H](Cn4cc(C(=O)O)nn4)C3)n1)CCCC2 67805275 RPYBXNLYQNIUSO-ZDUSSCGKSA-N 385.472 1.628 0 50 GDAA COc1cc(NC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)ccc1S(=O)(=O)N(C)C 279480449 OGWTZUAKHOTHAM-BLLLJJGKSA-N 397.497 1.977 0 50 GDAA CCCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1 72442147 XXMYVBJGRWIYCB-UHFFFAOYSA-N 392.529 1.839 0 50 GDAA O=C1CC[C@H](NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C(=O)N1 152163999 WNTBGVRQFQYHRE-LBPRGKRZSA-N 399.407 1.670 0 50 GDAA CCN(C)C(=O)CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 363946965 GQWCNSUAUDAABZ-ZDUSSCGKSA-N 397.422 1.735 0 50 GDAA COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)N[C@H](C)CO)c1=O 77516319 GBCDPYJHNVJLRL-OAHLLOKOSA-N 396.447 1.130 0 50 GDAA NS(=O)(=O)[C@@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 331596151 CGTRIFCTAHRRGX-KGLIPLIRSA-N 391.415 1.564 0 50 GDAA CCOC(=O)C1(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N(C)C2CC2)CCOCC1 376088631 LRQNXQFTKOLKIE-INIZCTEOSA-N 392.496 1.596 0 50 GDAA O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 332811427 YIBLBEORESJDNN-WCXIOVBPSA-N 396.553 1.935 0 50 GDAA CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC[C@@H](S(=O)(=O)NC3CCCC3)C1)C2 334107809 ZIYHTVQWFPRESF-OKZBNKHCSA-N 398.573 1.648 0 50 GDAA CCN1CC2(CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C(=O)NC3CC3)CC2)CC1=O 72438608 JELNKUGRFGFPGT-OSGQAZFXSA-N 385.508 1.564 0 50 GDAA O=C(Nn1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O)c1ccncc1 40388253 WXUYEEAIPQXFEI-UHFFFAOYSA-N 383.371 1.885 0 50 GDAA COc1ccc(CN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cc1OC 221435861 CXRKADCNSWCBRN-LJQANCHMSA-N 383.452 1.731 0 50 GDAA O=C1CC[C@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccn1 91725319 XYBSJKACODOESI-FQEVSTJZSA-N 383.500 1.406 0 50 GDAA CC[C@@H]1CN(C(=O)c2ccccc2N2CCS(=O)(=O)CC2)CCN1C(C)C 92004211 SLMYEJVLODVYDQ-QGZVFWFLSA-N 393.553 1.866 0 50 GDAA COc1ccccc1OC1CCN(C(=O)CN2C(=O)OC(C)(C)C2=O)CC1 95498632 DXGGEMSGURRZMC-UHFFFAOYSA-N 376.409 1.822 0 50 GDAA Cc1cc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)ccc1F 95377836 MKSJCWHUBZHERM-CTNGQTDRSA-N 391.531 1.914 0 50 GDAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CN3CCN(C)CC3)cc1)CC2 91664190 FSNWMAWJCZIRSN-UXHICEINSA-N 387.524 1.436 0 50 GDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccn4nnnc4c2)C3)cc1 96139653 KOJMMWUARLLXQB-UHFFFAOYSA-N 375.392 1.722 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1c(C)nn(C)c1C)CC2 91713294 RRUZWPYROFUUFR-UHFFFAOYSA-N 376.501 1.918 0 50 GDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91255450 SADCXNYNTOJJJO-HXUWFJFHSA-N 399.535 1.839 0 50 GDAA C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CN1CCOCC1=O 292225421 BZPJCGSQNLWSEO-WFASDCNBSA-N 386.370 1.853 0 50 GDAA COc1ccc2c(C)c(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)oc2c1 91551503 GQPNYLFFQSHGGL-CYBMUJFWSA-N 382.438 1.140 0 50 GDAA CO[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C(=O)CO 253596843 WKIQAHLTTFWPSF-AVWVKOQMSA-N 394.508 1.788 0 50 GDAA Cc1cccc2c(O)c(C(=O)N3CC[C@@H](Nc4ncccn4)[C@H](O)C3)cnc12 299802104 WUYKPFNUPNPOBF-HZPDHXFCSA-N 379.420 1.726 0 50 GDAA O=C(NCC1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1)c1ccco1 952964190 NCBCAWWAORKDGG-UHFFFAOYSA-N 396.407 1.243 0 50 GDAA COc1nccnc1N1CCC[C@H](CNC(=O)c2ccccc2-n2cncn2)C1 952962647 DZHFYJMLAMVQSK-OAHLLOKOSA-N 393.451 1.712 0 50 GDAA Cn1nccc1C(=O)NC[C@@H]1CCCN(C(=O)CN2CCc3ccccc3C2)C1 952984512 WYCDBGJVLAZCTC-KRWDZBQOSA-N 395.507 1.447 0 50 GDAA Cc1nc(C)c(C(=O)N2CC[C@]3(O)CCN(C(=O)N4CCCC4)C[C@@H]3C2)o1 1565507929 QSZVPMSAWAGCBG-KXBFYZLASA-N 376.457 1.406 0 50 GDAA Cc1ncsc1C(=O)N1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@@H]2C1 1565507293 MRQAXXUSAWEOSO-KSSFIOAISA-N 378.498 1.566 0 50 GDAA COCc1noc(CN2CCN(C(=O)Nc3ccc4c(c3)N(C)CC4)CC2)n1 186751073 IANUXFJWZYOOIO-UHFFFAOYSA-N 386.456 1.558 0 50 GDAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 170598500 JZGCGRGAWNPFRM-IAQYHMDHSA-N 396.488 1.541 0 50 GDAA C[C@@H](O)[C@@](C)(CNC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1 170611675 BJKIBFKWGQBTPA-QVKFZJNVSA-N 380.448 1.538 0 50 GDAA CO[C@@](C)(C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)c1ccccc1F 170613613 MAADSKKUYZPJDY-OXQOHEQNSA-N 387.411 1.668 0 50 GDAA CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 192938785 XIVXIFMDAQKXDC-AWEZNQCLSA-N 395.916 1.855 0 50 GDAA COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 197728633 AYSNIYGVKBJXOC-UHFFFAOYSA-N 398.331 1.635 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@@H]1O 1615958746 WCHNPUABZMYELX-WBVHZDCISA-N 387.571 1.028 0 50 GDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCc4c(c(C(N)=O)nn4C)C1)(C3)C2 1506423172 ULWZSGPZBXQJRU-JTMTTYTKSA-N 386.496 1.515 0 50 GDAA Cc1c(NC(=O)CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cnn1C 1506415671 ZHQCRMARTWJQSB-UHFFFAOYSA-N 395.507 1.964 0 50 GDAA CN1CCN(C(=O)c2cncc(N(C)Cc3ccc4nsnc4c3)n2)CC1 1529197790 WCMRISAYAKGYDL-UHFFFAOYSA-N 383.481 1.505 0 50 GDAA CCn1ccnc1CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529167860 PQVORPIYIOVMOD-SJORKVTESA-N 376.844 1.771 0 50 GDAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(-n4cnnc4)n3)C1)CC2 1704296969 AOEFKJDDGVTRKZ-LJQANCHMSA-N 376.424 1.155 0 50 GDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704305030 ORLAITPMAPOVKB-GJZGRUSLSA-N 392.481 1.021 0 50 GDAA CCC(=O)N[C@]1(C)CCOC2(CCN(Cc3cc(C(C)=O)cn3C)CC2)[C@H]1O 1772712354 KLQPEDANUZNLJJ-VQTJNVASSA-N 391.512 1.628 0 50 GDAA O=C(CCc1cnccn1)N1C[C@H]2CN(C(=O)c3cccs3)C[C@@]2(CO)C1 1772704187 RYJOHXAZJUOVSF-IFXJQAMLSA-N 386.477 1.064 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(c3nnc(-c4ccccc4)s3)C[C@@]2(CO)C1 1772815584 WCRZKXIXLRJDDF-OXJNMPFZSA-N 396.520 1.869 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)CN2CCC(O)CC2)C1)c1ccccc1Cl 11816318 BULOQMJTPWKKEK-OAHLLOKOSA-N 393.915 1.765 0 50 GDAA COC(=O)Cn1cc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)c2ccccc21 11874747 ACJZCZGDFAIEPQ-WOJBJXKFSA-N 387.480 1.082 0 50 GDAA O=C(NCCN1CCCC[C@@H]1CO)c1cn(Cc2ccc(F)cc2Cl)nn1 12430181 YOZCWNFZFFHVJO-OAHLLOKOSA-N 395.866 1.696 0 50 GDAA CC(C)C[C@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)C(N)=O 12712970 YCZMKEDGPXEGQT-ZDUSSCGKSA-N 383.374 1.975 0 50 GDAA CN1C(=O)[C@H]2CN(Cc3cccc(F)c3)CCN2C(=O)[C@@H]1Cc1ccccc1 14754436 KFYIEFRDFXXIMG-VQTJNVASSA-N 381.451 1.922 0 50 GDAA CC(C)CN1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14755447 CALZNHBSCAWRCS-UHFFFAOYSA-N 386.496 1.469 0 50 GDAA CCN(CCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 15065714 XPGMLLYNXTUIAB-QGZVFWFLSA-N 378.542 1.383 0 50 GDAA CCS(=O)(=O)N1CCO[C@]2(CCN(c3ncnc4sc(C)c(C)c34)C2)C1 1857691598 RRCWYOYIBCALLB-KRWDZBQOSA-N 396.538 1.939 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857714733 JKPGHSXZCHQAEG-LUXYFRNMSA-N 378.498 1.235 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)CCn2cnc3ccccc32)[C@H]1c1cnn(C)c1 1857722156 DBTHSTHJRDCIKJ-FPOVZHCZSA-N 396.495 1.690 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)c3sc(C(C)C)nc3C)CCO2)n1 1857724348 WQIPGWQCMQYKBP-GFCCVEGCSA-N 380.474 1.422 0 50 GDAA Cc1cncc(C(=O)NC[C@H]2[C@H]3CN(c4cncc(C)n4)C[C@]34CC[C@H]2O4)c1 1857729802 SUYCMJSTBCZNGN-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857734760 QFKXCLRORCZGLI-OBJOEFQTSA-N 389.279 1.713 0 50 GDAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(Cn2ccnn2)CC1 155017247 NJQAKFWVGYFWQW-SFHVURJKSA-N 398.446 1.435 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C[C@@]2(CCCOC2)O1 373672788 PBGWFKWVDLXPLU-KBXCAEBGSA-N 395.456 1.970 0 50 GDAA Cc1nc(C(=O)N2CCc3nc(O)ccc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403911 KNFMNCXGFLKDLY-MRXNPFEDSA-N 396.495 1.533 0 50 GDAA CCOC(=O)COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 1202666 FNZNSHWYFTYTHY-INIZCTEOSA-N 394.449 1.603 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2100477593 CATVMOCONVLBRP-IBGZPJMESA-N 393.509 1.239 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=S)N[C@H]2CCOc3ccccc32)CC1 2325736243 YITRMDAWJVWWBC-PIMMBPRGSA-N 383.539 1.835 0 50 GDAA CC(C)C(=O)N=[S@@](C)(=O)c1cnn2c1CN(C(=O)CCc1cnoc1)CC2 2325785448 YWQAEYKPBUUYCK-MHZLTWQESA-N 393.469 1.485 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc(N2CCCC2)ncn1 2325786062 ZRYWGQHLXWPCAA-JGGQBBKZSA-N 390.875 1.496 0 50 GDAA COC(=O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cn2nc(C)cc2[nH]c1=O 2325790977 CHCKWHUFIVEPJK-PBHICJAKSA-N 380.404 1.502 0 50 GDAA C[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@H]1CN=c1ccc2nnnn2[nH]1 2325794524 FONFISLGQCLSKP-FXTZWWGYSA-N 383.500 1.664 0 50 GDAA CN1CCN([C@@H](C(=O)Nc2nc3ccc(C(N)=O)cc3[nH]2)c2ccccc2)CC1 2325860378 GOFKQRHKNLQJDS-GOSISDBHSA-N 392.463 1.589 0 50 GDAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 1121420 PWSHBJCGYIYFPT-UHFFFAOYSA-N 398.824 1.792 0 50 GDAA Cc1ccc(SCC(=O)Nc2nnc(CC(=O)N3CCOCC3)s2)cc1 2845025 PZBBNOHNGMPPIN-UHFFFAOYSA-N 392.506 1.979 0 50 GDAA CSc1nnc(CC2CCN(C(=O)CN(C)Cc3cccnc3)CC2)n1C 55310201 VHBRQCZJOCQMMX-UHFFFAOYSA-N 388.541 1.845 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3)CC2)n1CCOC 23338346 DLGUMSKTJKBAEA-UHFFFAOYSA-N 392.525 1.645 0 50 GDAA COCCN(Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1)C(C)C 20910062 CEXHGKOAPDEXLL-HXUWFJFHSA-N 379.545 1.531 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN3CCC(CO)CC3)C2=O)c1OC 67868433 DWMATQJNAUVYHU-OAQYLSRUSA-N 392.496 1.262 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3c(C)nn(C)c3C)CC2)C1 67605242 DFAMYAMAQMGEQN-SFHVURJKSA-N 391.560 1.476 0 50 GDAA CC1=C(C(=O)NCc2cnc3c(C)cccn23)[C@H](c2cccnc2)NC(=O)N1 67981969 RPXCDNLTWYRQGT-KRWDZBQOSA-N 376.420 1.982 0 50 GDAA Cc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nn2)N2CCOCC2)o1 72123895 UHDVANLBBFQBDL-GOSISDBHSA-N 381.436 1.972 0 50 GDAA CCCCN1CCN([C@@H](C(=O)NCc2ccncn2)c2ccccc2)C(=O)C1=O 77437182 YIFFGBNQEGESGY-GOSISDBHSA-N 395.463 1.305 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]3C1=O 77485454 YKESGKDVBMZOLY-DKXUYOFUSA-N 396.422 1.802 0 50 GDAA CN1CCO[C@H]2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)C[C@@H]21 332773762 PKCARDPLTCUFFS-PMACEKPBSA-N 396.491 1.511 0 50 GDAA Cc1cccc(NC(=O)CN2CCNCC2=O)c1C(=O)NCCc1ccccc1 237685396 PKMHDASLOPHQFC-UHFFFAOYSA-N 394.475 1.338 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 223329086 YAISEXWTEBRXKJ-CABCVRRESA-N 377.470 1.165 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N3CCN(CC4CCOCC4)CC3)ccc21 175027962 WWKBFKIQZWOTPO-UHFFFAOYSA-N 386.496 1.649 0 50 GDAA COc1ccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@@H]2N(C)C)cc1 19596683 GFAGKLFBXACRTQ-GOSISDBHSA-N 386.433 1.362 0 50 GDAA Cc1cccc2nc(CCNC(=O)N3CCN(c4ncc[nH]c4=O)CC3)[nH]c12 426438895 OUPOGDCRSSAERJ-UHFFFAOYSA-N 381.440 1.029 0 50 GDAA CCCN(C(=O)c1cn(-c2ccc(F)cc2C)nn1)[C@@H]1CCS(=O)(=O)C1 179290386 VJHBNSSHVCCOCM-CQSZACIVSA-N 380.445 1.754 0 50 GDAA C[C@@]1(O)CCCN(S(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)C1 95362984 OJUOCADXCZJOSM-QGZVFWFLSA-N 384.523 1.411 0 50 GDAA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3cc(=O)n4nc(C)cc4[nH]3)C[C@H]21 95522811 PZTJXUMNWWFJNU-DYESRHJHSA-N 396.447 1.310 0 50 GDAA Cn1cncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 95524114 ZMSBWICDTKRVBS-UHFFFAOYSA-N 382.468 1.460 0 50 GDAA COCCCN1CC2(CCN(c3cc(OC(C)C)nc(N)n3)CC2)CC1=O 95353376 CFEKZHQEKOKWAE-UHFFFAOYSA-N 377.489 1.701 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)nc2[nH]nc(O)c12 96142195 IYEKOYOZECEIOJ-ZUOKHONESA-N 380.404 1.583 0 50 GDAA COc1ccc(NC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1C(N)=O 97785260 AMQRWNHTFVPHDL-HNNXBMFYSA-N 376.457 1.513 0 50 GDAA COCCn1nnc2c1CCN(c1nc(N)c3cc(OC)c(OC)cc3n1)C2 293083442 ODSQNNPBMXRMQO-UHFFFAOYSA-N 385.428 1.030 0 50 GDAA Cc1noc(CNC(=O)C[C@@H]2N=C(O)N(c3cccc4ccccc34)C2=O)n1 252506030 VWZYEMQSUMMAFK-AWEZNQCLSA-N 379.376 1.867 0 50 GDAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 299761307 ITLAUGRNANFZJK-GFCCVEGCSA-N 375.472 1.017 0 50 GDAA CN1CCc2c(CNC(=O)c3ccc4c(c3)OCO4)c3c(c(O)c2C1=O)OCO3 823806820 VREPEPIESIOFTE-UHFFFAOYSA-N 398.371 1.408 0 50 GDAA biogenic Cc1cc(-c2cccc(C(=O)N3CCNC[C@H]3C)c2)nc(N2CCOCC2)n1 584893740 FZDAIZCNPLOBFR-MRXNPFEDSA-N 381.480 1.723 0 50 GDAA CC(C)(C)NC(=O)CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 170618631 ZJQFKUIVUTZAIU-HZPDHXFCSA-N 398.463 1.609 0 50 GDAA Cc1cc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)c(C)s1 1704326496 GAKWETMMMAKOKF-LSDHHAIUSA-N 375.512 1.420 0 50 GDAA COCCN1CCC(C(=O)N2CCCN(C(=O)c3ncoc3C)CC2)CC1 1772709504 PZFDWRWZESRVQR-UHFFFAOYSA-N 378.473 1.016 0 50 GDAA COc1ccccc1CC(=O)N1C[C@@H]2CN(C(=O)CCc3cnccn3)CC[C@@H]21 1772819774 SRHYTOGSDVCJGZ-HKUYNNGSSA-N 394.475 1.720 0 50 GDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CCN2CCCCC2)nn1 12573436 OCBAGSRGHXYHGP-KRWDZBQOSA-N 385.468 1.278 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCOCC2)cc1 14958411 ODHXHWQMIBHOFH-IBGZPJMESA-N 389.496 1.413 0 50 GDAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(C)on3)C3=C2C(=O)OC3)cc1 169757924 OZJGUDLEIOLGDW-KRWDZBQOSA-N 382.376 1.807 0 50 GDAA C[C@@H]1CCc2nn3ccn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3c2C1 169760003 QYPYCMXPFNQUOV-GFCCVEGCSA-N 380.404 1.988 0 50 GDAA O=C(NCCCO)c1cc2c(s1)CCOC21CCN(c2ncccn2)CC1 1857691628 SSEAEQOMILGEJM-UHFFFAOYSA-N 388.493 1.719 0 50 GDAA COCCN(CCOC)C(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857731631 NBTUIZAOUUKOIC-CYBMUJFWSA-N 377.466 1.771 0 50 GDAA Cc1cccc(C(=O)NC[C@H]2[C@H]3CN(CCN(C)C)C[C@]34CC[C@H]2O4)c1F 1857738081 QPCOXFGIKJZLPH-XKGFGPFHSA-N 375.488 1.905 0 50 GDAA CCOC(=O)CCN[C@@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 14749258 VRIIHEOAYGONPG-OAHLLOKOSA-N 376.501 1.836 0 50 GDAA OC[C@@H]1CCCN1c1cc(N2CCN(c3ncnc4ccsc34)CC2)ncn1 266267627 QLPLICZWCVZLJX-AWEZNQCLSA-N 397.508 1.769 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ncc(F)cc3F)C2)c1C 1875399868 LECOIFWAYILLII-CQSZACIVSA-N 390.438 1.837 0 50 GDAA O=C(N[C@H]1CNCC[C@H]1CO)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1875305659 WVXJZMCXQSBFOT-JSGCOSHPSA-N 395.385 1.939 0 50 GDAA NC[C@H]1C[C@@H](O)CN1c1cc(NCc2c(F)cccc2N2CCCC2)ncn1 1875396787 BIHMDQJKNSOEFL-HUUCEWRRSA-N 386.475 1.726 0 50 GDAA Cc1ncc(CN=c2[nH][nH]c(=NC3CCN(C(=O)OC(C)(C)C)CC3)[nH]2)s1 1875340189 PPZVBOGHPCEGQJ-UHFFFAOYSA-N 393.517 1.837 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCC2(C(C)(F)F)CCOCC2)ncn1 1875398353 MRDPFBIJEUWHHF-HUUCEWRRSA-N 399.486 1.842 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(F)ccc3OC)C2)n1 1875397421 ZGVLVEZFCXRBPP-MRXNPFEDSA-N 387.459 1.969 0 50 GDAA Cn1cc(-c2cc3c(nn2)CCN(Cc2ccc4oc(=O)n(C)c4c2)C3)cn1 877643587 FUEODZYCKLSUKA-UHFFFAOYSA-N 376.420 1.880 0 50 GDAA CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CCSC)C1 1775994891 ONYFTJXOKAITIP-KGLIPLIRSA-N 376.544 1.014 0 50 GDAA Cc1cccc(Cn2cccc(C(=O)N3CCNC[C@H]3c3nccn3C)c2=O)c1 2325708928 NAVNPPSTTNJFMK-IBGZPJMESA-N 391.475 1.725 0 50 GDAA Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1C[C@H]1NC(=O)c1n[nH]c3c1COCC3)CO2 2325872092 HJDNLFQKBAYJAI-KBRIMQKVSA-N 396.447 1.262 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)C1 2325888678 QDOIXWNPRLSXDI-QGZVFWFLSA-N 387.455 1.925 0 50 GDAA O=C1C[C@@H](C(=O)N2CC3(COc4ccccc4C3)C2)CN1Cc1ccccn1 2356138887 RRASOHNUPPKLKV-QGZVFWFLSA-N 377.444 1.894 0 50 GDAA O=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCCCC2)c2ccccc12 2877396 QLWWJLWKUKOAGP-UHFFFAOYSA-N 383.448 1.695 0 50 GDAA CS(=O)(=O)N1CCc2cc(-c3csc(CN4CCOCC4)n3)ccc21 109844470 KVBYNCXCHIPGKE-UHFFFAOYSA-N 379.507 1.964 0 50 GDAA Cc1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c(=O)n(-c2ccccc2)n1C 65364646 RYTIRMXABNQKRL-CQSZACIVSA-N 392.481 1.095 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 64799834 SPJIITHIQHYVHM-UHFFFAOYSA-N 397.479 1.593 0 50 GDAA Cc1ccccc1-c1noc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 67601782 QPMAFTCUPSYJKK-ZDUSSCGKSA-N 378.454 1.333 0 50 GDAA CN1CCN(c2cccc(N3CCC(N[C@H]4C=CS(=O)(=O)C4)CC3)c2)C1=O 20859801 HSJUCSOTUQXHJW-INIZCTEOSA-N 390.509 1.428 0 50 GDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1nc(O)c2ccccc2n1 409415058 SCLYJZYHEHNLIJ-GOSISDBHSA-N 390.443 1.968 0 50 GDAA Cc1cccc2c(C(=O)N3CCN(C)C(=O)[C@@H]3C)cc(-c3cnc(N)nc3)nc12 63869026 SGFGTQQIAPRFQD-ZDUSSCGKSA-N 390.447 1.885 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1ccccc1 12467761 WKKKFYNJWPUAEQ-LJQANCHMSA-N 393.491 1.607 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 67613376 IXNXFEXKCCQMKC-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2nnc(N)o2)no1 253427321 FFSDQHZHLXWEDG-MRVPVSSYSA-N 379.377 1.037 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1C(=O)O 333943641 RFIDIQKDCVIERO-INIZCTEOSA-N 387.479 1.283 0 50 GDAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CNC(=O)c2cccnc2)cc1 363161267 RYVJWYHBQXCMLM-QGZVFWFLSA-N 382.420 1.450 0 50 GDAA Cn1ccnc1CN1CCCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 363241467 KIAQYQLDASPIFS-UHFFFAOYSA-N 399.495 1.651 0 50 GDAA CN(CCC(N)=O)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71753679 ADIWOJSEEDBXQN-SFHVURJKSA-N 387.528 1.092 0 50 GDAA CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)CN(C)S(C)(=O)=O)CC1 376434286 KWFFQPIJQCYHGT-OAHLLOKOSA-N 389.518 1.127 0 50 GDAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)C1 333217191 CTAPXHYYFPBWCE-ZJOUEHCJSA-N 388.512 1.883 0 50 GDAA CN1C(=O)[C@@](CC(=O)NCCn2cnnc2)(Cc2ccccc2)c2ccccc21 71759654 RGZACMMZFZBLOT-JOCHJYFZSA-N 389.459 1.942 0 50 GDAA Nc1nnc(SCC(=O)N2CCN(C3Cc4ccccc4C3)CC2)s1 223471123 OACSUCACXUZMSL-UHFFFAOYSA-N 375.523 1.524 0 50 GDAA COc1cccc(N2C[C@@H](C)N(C(=O)c3nc4ccccc4[nH]c3=O)CC2=O)c1 82156571 DBDABDLONVIUCC-CYBMUJFWSA-N 392.415 1.809 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)N[C@@H](C)Cn2cncn2)C3)cc1 426501769 NCKXAYKMEYXTRX-AWEZNQCLSA-N 393.451 1.781 0 50 GDAA COCCc1noc([C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)n1 225525535 BREHBRHVHDYTTL-ZDUSSCGKSA-N 393.421 1.031 0 50 GDAA O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 288175133 BETGFAUTZANSEB-NRFANRHFSA-N 377.448 1.989 0 50 GDAA CCn1ncc(CN2CCN(C(=O)c3nn(C)cc3Br)CC2)c1C 20608293 YZXLESLXVDNKIJ-UHFFFAOYSA-N 395.305 1.665 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)c3cc4c(nc3O)CCC4)[C@H](O)C2)cs1 426484389 DGAQGDVZHDZILV-IAGOWNOFSA-N 388.493 1.406 0 50 GDAA CCCCc1nc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c[nH]1 91849038 NRBAZZDSZYDHPC-UHFFFAOYSA-N 380.518 1.404 0 50 GDAA Nc1nc2c(c(C(=O)N3CCC[C@@H](CNC(=O)c4ccco4)C3)n1)CCCC2 95505484 WYPHIHJFJUFLFR-ZDUSSCGKSA-N 383.452 1.813 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2F)CN1CC(=O)O 96147903 DFDWMNZSLFBSPK-BBRMVZONSA-N 379.432 1.260 0 50 GDAA CCOC[C@H](O)CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 92081131 MULBRXLHJUXIKA-NSOUWEPUSA-N 375.469 1.365 0 50 GDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cncn2)C1 426640362 GMOBBQZTXJJLBT-CQSZACIVSA-N 377.470 1.234 0 50 GDAA O=C1C[C@@H](C(=O)NCCn2ncc3ccccc3c2=O)c2cc(F)ccc2N1 91768931 OUTVOLMVQHUGAJ-MRXNPFEDSA-N 380.379 1.778 0 50 GDAA CCc1cc(N2CCCn3nc([C@H](O)CO)cc3C2)nc(N2CCCCC2)n1 230501014 HGKXGPUUZSAVGA-GOSISDBHSA-N 386.500 1.662 0 50 GDAA Cn1c(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)cc(=O)n(C)c1=O 95518851 GNADZRPCNBBFGU-OAHLLOKOSA-N 385.395 1.768 0 50 GDAA Cc1oncc1S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91964496 WEWDKBWOFLIJJD-UONOGXRCSA-N 376.438 1.303 0 50 GDAA O=C(Cc1cccs1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 95497335 PDCYQUBTICWMMR-SJORKVTESA-N 391.518 1.196 0 50 GDAA CN1CCN(C[C@@H]2CN(C(=O)COc3ccccc3Cl)C[C@@H]2CO)CC1 95390750 GQNLIERPUPESQB-HZPDHXFCSA-N 381.904 1.033 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc(OC)c3c(c2)OCO3)c1O 253623731 JBKMYUHSVFAXTD-SECBINFHSA-N 390.348 1.024 0 50 GDAA biogenic CNC(=O)NCCC(=O)N1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 294445128 HMRJYHDRHLBTSN-INIZCTEOSA-N 392.525 1.797 0 50 GDAA CCN(CC)CCCNC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(C)on3)C[C@@]23C=C[C@H]1O3 252347111 WWARGXDZKOKSBG-OYRIPWCXSA-N 388.468 1.118 0 50 GDAA CCN1CCN(C(=O)[C@H](C)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 298303796 MIFASEZDRBXQBS-KRWDZBQOSA-N 390.503 1.526 0 50 GDAA CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 263619184 XIZMJVCNJONJFR-SFHVURJKSA-N 398.463 1.761 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 55168119 DEVGGTGMPLZNCO-MRXNPFEDSA-N 375.498 1.184 0 50 GDAA CCc1nn(C)cc1-c1cccc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c1 299798725 ULDTTWAPAQUKIA-KRWDZBQOSA-N 383.496 1.577 0 50 GDAA CCOC(=O)c1nc(S(C)(=O)=O)nc2c1CN(C(=O)OC(C)(C)C)CC2 725390964 FBUQQEMCULSELI-UHFFFAOYSA-N 385.442 1.350 0 50 GDAA O=C1C[C@H](C(=O)N2CCC3(CC2)CN(CC2CC2)CCO3)C2(CCCC2)O1 828244517 IXYISVMUYRQDIC-QGZVFWFLSA-N 376.497 1.966 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)nc2c1CCCC2 827764184 VESDLJXZEWHARY-INIZCTEOSA-N 379.464 1.724 0 50 GDAA NC(=O)C1CCN(CCc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)C3)cc2)CC1 1346333397 SENXWOQPXAYRGK-SJORKVTESA-N 387.480 1.866 0 50 GDAA COCC(=O)N1CC[C@H](NC2CCN(c3cccc(Cl)c3)CC2)[C@@H](O)C1 1565529911 GISDTLSXYMVPQI-ROUUACIJSA-N 381.904 1.507 0 50 GDAA Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)cn1 192481893 NHZVWKZKYXSDAY-GOSISDBHSA-N 381.480 1.904 0 50 GDAA O=S(=O)(NCCc1cnc[nH]1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506405064 XBRTWXIXQJUJBT-UHFFFAOYSA-N 375.332 1.933 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)CC2CCCC2)cc1OC 1529117841 ATAGQFQXZODJRO-MOPGFXCFSA-N 376.453 1.909 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCC2(CC1)OCCc1sccc12 1704332615 TZZLMGPJCWZEMB-INIZCTEOSA-N 391.537 1.737 0 50 GDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 1704313062 LYPVCDJZEBKKAY-CABCVRRESA-N 378.494 1.729 0 50 GDAA COc1c[nH]c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc1=O 1704300492 WTNDXOIZXLJYDK-FQEVSTJZSA-N 383.452 1.360 0 50 GDAA CN1CC(=O)N(CC(=O)N2CCCN(c3ccc4ccccc4n3)CC2)C1=O 1772815806 XRPASYCTJHPMTK-UHFFFAOYSA-N 381.436 1.168 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(c3nnc(-c4ccccc4)s3)C[C@]2(CO)C1 1772815589 WCRZKXIXLRJDDF-UZLBHIALSA-N 396.520 1.869 0 50 GDAA CCN1C[C@H](C(=O)N2CCCN(Cc3cnc(SC)nc3)CC2)CC1=O 1775983028 RCHQLRPEGUTCKA-OAHLLOKOSA-N 377.514 1.101 0 50 GDAA CCN1CCN(CCOc2ccccc2CN2CCC([C@H](O)CO)CC2)CC1 1772817885 ZLWKSPBTRMOPTQ-OAQYLSRUSA-N 391.556 1.268 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)ccc1N1CCOCC1 1772818289 CBFJFILHAKMOTC-UHFFFAOYSA-N 387.480 1.295 0 50 GDAA Cc1nc[nH]c1CC(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@]2(CO)C1 1772814124 LAIOVOJFRQJTFO-VFNWGFHPSA-N 392.463 1.161 0 50 GDAA CN(C)C[C@@]12CN(C(=O)CCc3cnccn3)C[C@H]1CN(C(=O)c1ccco1)C2 1772711651 AZSDNNXVSAAFOX-KKSFZXQISA-N 397.479 1.165 0 50 GDAA Cn1ccnc1SCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 11819919 HLFXTBDYIKYGQU-OAHLLOKOSA-N 387.509 1.505 0 50 GDAA COc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)ccc1OC1CCN(C)CC1 12710973 FRQAOFVAVNPNRH-OAHLLOKOSA-N 375.469 1.506 0 50 GDAA O=C(NC1(c2ccccc2)CC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19789904 RHNYECPXRWZSJG-SFHVURJKSA-N 385.508 1.753 0 50 GDAA COc1ccc(C(=O)NC[C@@H]2CCC[C@H](NS(=O)(=O)N(C)C)C2)c(OC)c1 1857671018 LFQCZSYDMXHVNY-KGLIPLIRSA-N 399.513 1.388 0 50 GDAA CN(CCn1cnc2ccccc21)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 1857678427 FZSMQSIHJYACPI-UHFFFAOYSA-N 386.433 1.688 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NC2Cc3ccccc3C2)C1)[C@H]1CCCO1 1857695010 PJQUCZYMFLSRPA-MIZPHKNDSA-N 397.519 1.562 0 50 GDAA O=C(NC1CCOCC1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857708532 YOBNUSBTSQXUGN-CQSZACIVSA-N 386.477 1.777 0 50 GDAA 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CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CN(C)CCO1 299421493 CTSGZKAXMCESIF-WBVHZDCISA-N 375.469 1.137 0 50 GDAA CCS(=O)(=O)N1CCC(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1 544570037 MWFQWMOVXJFPGJ-AWEZNQCLSA-N 378.498 1.775 0 50 GDAA O=C(NCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCN(C(=O)C2CC2)C1 299725007 ZXBNRDBGAWYKIH-SFHVURJKSA-N 398.507 1.100 0 50 GDAA CCOC(=O)C1(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CCCCC1 1355731741 FSSJYFUCPNKQFU-HNNXBMFYSA-N 387.436 1.509 0 50 GDAA COCCN1C[C@@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CCC1=O 952978206 XRNCPGHLBZIDAQ-INIZCTEOSA-N 389.496 1.983 0 50 GDAA NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)C1 952963333 GYRGWAZCGYNNLC-CRAIPNDOSA-N 375.469 1.770 0 50 GDAA Cc1cc(N2CCC(NS(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)[nH]n1 170606630 RSSOWEHVLLPQIU-UHFFFAOYSA-N 386.481 1.851 0 50 GDAA CCO[C@H]1C[C@](O)(CNC(=O)Cn2cc(Br)ccc2=O)C1(C)C 191754209 PHBMHDHSSVRIBC-LRDDRELGSA-N 387.274 1.293 0 50 GDAA COc1cc(NC(=O)C(C)C)c(C(=O)O[C@H]2CCC(=O)NC2=O)cc1OC 798563508 ATSRKGVDLFFJLD-LBPRGKRZSA-N 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1.479 0 50 GDAA Cc1ccc(C(N)=O)cc1NC(=O)NCc1csc(N2CCOCC2)n1 95496486 GJTLDYPVFQRMHB-UHFFFAOYSA-N 375.454 1.709 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](c3nc(C)n[nH]3)C2)c1 97136864 XZLBLOFZUQYHRE-LBPRGKRZSA-N 378.458 1.433 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 96152664 DKOMPEICJYTRTD-UHFFFAOYSA-N 380.452 1.584 0 50 GDAA Cc1nnc(CCNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)s1 95509098 DDNNIHMLIQBGEY-UHFFFAOYSA-N 384.487 1.429 0 50 GDAA CCN(C)S(=O)(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 92020465 HOQSCCFFDDITER-UHFFFAOYSA-N 394.541 1.525 0 50 GDAA COc1cc(OC)cc([C@H](NC(=O)Cn2cccc(C)c2=O)c2nccn2C)c1 180729671 IWVDVSMHFIZHDN-IBGZPJMESA-N 396.447 1.813 0 50 GDAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(F)(F)F)nc1 182126209 CLVQNJVCYRLUJW-SNVBAGLBSA-N 391.375 1.652 0 50 GDAA CN(C)[C@H]1CN(C(=O)c2cccc(-c3ncc(C(=O)O)cc3Cl)c2)C[C@@H]1O 534646527 FPBRJDWZNXCQJK-HOTGVXAUSA-N 389.839 1.847 0 50 GDAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 299753890 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396.487 1.834 0 50 GDAA Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(NCc2ccccc2)n1 39383614 YXMIEYVLTGVGEZ-UHFFFAOYSA-N 378.436 1.984 0 50 GDAA Cc1nc2cc(C(=O)N3CCc4c(ncnc4N4CCOCC4)C3)ccc2[nH]1 77377328 AWNZIXZPNTXUQV-UHFFFAOYSA-N 378.436 1.696 0 50 GDAA CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1CC 152181223 HYVQVTWOZAKIOZ-NSHDSACASA-N 377.466 1.697 0 50 GDAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)CSCc2cscn2)C1 435032765 HEFHBJMNECBXCM-ZDUSSCGKSA-N 394.526 1.187 0 50 GDAA C[C@H](NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)C(=O)N(C)C 152883667 QLQOFFCQYXGLMO-INIZCTEOSA-N 399.495 1.052 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)n1 330253795 AQSRPEXXTWUSLP-RCCFBDPRSA-N 386.452 1.210 0 50 GDAA CC(C)n1cc([C@@H]2CN(C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)C[C@H]2CO)cn1 332780837 GVGWOHSLXZIOFY-CGBFIWBNSA-N 392.500 1.519 0 50 GDAA Cc1nc2c(C)cccc2cc1C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 215198303 AAMSWCIWWKBMQB-OAHLLOKOSA-N 377.466 1.242 0 50 GDAA O=C1[C@@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)CCN1c1c(F)cccc1F 333115868 UAYANQRAPNIHHH-MAUKXSAKSA-N 384.448 1.971 0 50 GDAA CC(C)[C@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)CCC(=O)N1Cc1ccc(F)cc1 71499015 HCUARZWOMGGAOG-OAHLLOKOSA-N 389.431 1.065 0 50 GDAA CC(C)CN1CCN(Cc2cnn(-c3ccccc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72473743 UICUKHZHTBZWOV-UXHICEINSA-N 388.537 1.812 0 50 GDAA Cc1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(N2CCN(C)CC2)c1 242339387 ZHJURRWBGITFLR-MRXNPFEDSA-N 385.512 1.879 0 50 GDAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 283992000 MBNDKVVFXZUWEP-KBPBESRZSA-N 388.873 1.440 0 50 GDAA CN(C[C@@H]1COCCO1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 426409192 WIDFAJZUQYRMTQ-CQSZACIVSA-N 380.832 1.989 0 50 GDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 223212476 FCBASOSLRUENOT-MRXNPFEDSA-N 387.436 1.299 0 50 GDAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)N1CCC[C@H](Cn2ccnc2)C1 426596647 SHMQWLVIPTURFJ-OAHLLOKOSA-N 380.456 1.728 0 50 GDAA Cc1ccccc1-n1cc(CNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cn1 426496616 BXOPTPPPBHLEHT-AWEZNQCLSA-N 377.470 1.001 0 50 GDAA O=C(CCN1CCCO1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95353431 FJHDQSLKBDRTSJ-MTNREXPMSA-N 399.491 1.831 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)c3ccc(O)c(Cl)c3)C[C@@H]2CO)CC1 91713368 UAYDRCJKFFEJHF-HZPDHXFCSA-N 381.904 1.364 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2C1 92001619 WNLKTPQTPISAOK-INIZCTEOSA-N 397.479 1.638 0 50 GDAA Nc1nc(N2CCOCC2)cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 95507674 LMIRXFOCBZXZQF-MRXNPFEDSA-N 383.500 1.886 0 50 GDAA CSCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91518692 QCHBIDXJTVHBHW-QGZVFWFLSA-N 391.537 1.927 0 50 GDAA Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)CCc2cccnc2)CC1 96137999 RGWVOOGLAAMOEQ-UHFFFAOYSA-N 380.456 1.189 0 50 GDAA CCc1nc(COc2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)cc2)no1 181247015 YQCKFBTUIZPGKH-ZDUSSCGKSA-N 384.436 1.952 0 50 GDAA Cn1cnn(CC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=O 181311768 CZLDXSCKPHZNGD-ZDUSSCGKSA-N 386.387 1.177 0 50 GDAA C[C@H](CC(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)c1ccccc1 534657551 LLANINKGZNSTQY-CQSZACIVSA-N 376.482 1.468 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CSc3ccccc3)C[C@H]2O)no1 299784074 SCUHLRBIXZHIKM-GDBMZVCRSA-N 375.450 1.467 0 50 GDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cn2ccsc2n1 828215560 VGGIMAHZGMRQHQ-UHFFFAOYSA-N 386.433 1.886 0 50 GDAA CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=O)CCO1 1337835218 DZUWYWUUGXJUDM-UHFFFAOYSA-N 379.438 1.463 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1 952988966 AXTGFXMGLGQQNZ-UHFFFAOYSA-N 381.480 1.597 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)cc2)C(=O)N1 1506398564 RSNCXHMGQHAOQK-OAHLLOKOSA-N 392.415 1.873 0 50 GDAA Cc1ccc(NC(=O)CN2CCC(CNC(=O)[C@@H]3CCC(=O)N3)CC2)cc1C 1506422390 OONKEGACNUMULS-SFHVURJKSA-N 386.496 1.349 0 50 GDAA Cc1nnc(SCC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)o1 210130934 IOYPULGNOULNOV-OLZOCXBDSA-N 377.422 1.576 0 50 GDAA CCCOC(=O)N1CCN(Cc2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 216799541 CXQWHHWNGCXZLY-CVEARBPZSA-N 382.482 1.525 0 50 GDAA Cc1c(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)cnn1C 1704359568 SLHAWKPPMGBXTE-INIZCTEOSA-N 395.463 1.529 0 50 GDAA Cc1ncsc1CN1C[C@H]2COC[C@@H]1CN(Cc1cnn3cccnc13)C2 1772700753 GWZNYNVJWKMOBZ-RDJZCZTQSA-N 384.509 1.827 0 50 GDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)cc(OC)c1 11933219 GZYIFQWIXMBUGY-LJQANCHMSA-N 389.496 1.797 0 50 GDAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2C(N)=O)C[C@@H](C)O1 12306095 NGQWZYHFRPGNDK-XQQFMLRXSA-N 391.497 1.095 0 50 GDAA COc1ccc(OC)c(CC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)c1 15076303 AHCAQLJCFQFMQE-KRWDZBQOSA-N 375.513 1.921 0 50 GDAA CCOC(=O)c1sc(NC(=O)CN2CCN(C)CC2)c(C(=O)OCC)c1C 19900980 QCKMYMPWDRYJIM-UHFFFAOYSA-N 397.497 1.596 0 50 GDAA COc1cc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc(OC)c1 169752718 RGVAKICYFSEZRD-UHFFFAOYSA-N 395.419 1.973 0 50 GDAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)c1 1857672837 IIWWIIKJGXDBCE-CYBMUJFWSA-N 383.412 1.325 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3conc3-c3ccccc3)C[C@H]2CO1 1857693003 DKVLLFRDCSFVQB-ULQDDVLXSA-N 398.463 1.391 0 50 GDAA Cc1ccccc1CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O 328613153 QXEOJVSULQNXEZ-INIZCTEOSA-N 376.482 1.686 0 50 GDAA CNC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 237266764 MFNKCRRDXHVFCZ-INIZCTEOSA-N 387.484 1.673 0 50 GDAA O=C(O)[C@H]1CCCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 263244374 CTKYOEVBFXRHKA-GFCCVEGCSA-N 390.255 1.440 0 50 GDAA NC(=O)[C@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@H]1CCOC1 1875271637 SOBWPXMLYCZCKG-DZGCQCFKSA-N 396.369 1.570 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CC[C@@H]4OC(=O)O[C@H]4C3)CC2=O)cc1OC 1875296201 JUNDDLRONXPRFR-WPGHFRTFSA-N 390.392 1.193 0 50 GDAA COC[C@H](c1ccc(F)cc1)N(C)CCS(=O)(=O)N1CCC[C@@H]1C(=O)O 1875306102 SSDXRIFMAUKAOD-HZPDHXFCSA-N 388.461 1.324 0 50 GDAA COC(=O)Nc1ccc(S(=O)(=O)NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 1875331145 RKFWPGASQQZPIQ-YPMHNXCESA-N 396.469 1.478 0 50 GDAA CS(=O)(=O)NC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(O)nc2c1 1875390881 ZUNZULXTSGENFS-UHFFFAOYSA-N 393.808 1.434 0 50 GDAA CCOc1ccc(C2C(C(=O)OC)=CN(CC(=O)OC)C=C2C(=O)OC)cc1 1155800 OSGWTVJXZJCKRK-UHFFFAOYSA-N 389.404 1.771 0 50 GDAA NC(=O)NCC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100477913 JFGJNHHOOQALSW-LJQANCHMSA-N 382.464 1.619 0 50 GDAA CCCn1cc(C(=O)N[C@H]2C[C@H](C(=O)NCc3cc(C)on3)C[C@@H]2O)c(C)n1 2100480685 PLDXDRJCLAFPAI-JQFCIGGWSA-N 389.456 1.084 0 50 GDAA COC(=O)c1nc(N2CCN(c3nc(C)ns3)CC2)c2sccc2n1 2325802236 SJILKSVFQVCBNG-UHFFFAOYSA-N 376.467 1.964 0 50 GDAA CN1CC2(CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OC1=O 2325817900 BZAHGTNXAWNIIR-UHFFFAOYSA-N 376.381 1.893 0 50 GDAA O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)C(=O)N[C@@H]1CCNC1=O 2325829844 UIRLTUQSNBEVTN-CYBMUJFWSA-N 381.367 1.084 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cnc3c(F)cccc3c2)C[C@H](C(=O)O)S1(=O)=O 2325874952 BXPBVWFKICJAHZ-TZMCWYRMSA-N 394.424 1.770 0 50 GDAA O=CN[C@@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl 3200447 LVUIFVWYJDJTSK-NSHDSACASA-N 379.635 1.278 0 50 GDAA biogenic Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(C)CC1 20512496 KPQSJKJUMPQNIR-UHFFFAOYSA-N 383.514 1.082 0 50 GDAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c2ncnn2c1=O 101753404 OSOYRDLMTQXHCW-INIZCTEOSA-N 380.452 1.245 0 50 GDAA O=C1CC[C@H]2CN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)c3cccc1c32 464374927 MNXHZNKCRAIGIR-VIFPVBQESA-N 398.400 1.705 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CNCCc3ncnn3C)C2=O)cc1 67654474 IUSQMMOJUMQHRN-NRFANRHFSA-N 385.512 1.624 0 50 GDAA O=C1NC[C@]2(CCCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)O1 72127219 XRXUFAACTQNAOH-QGZVFWFLSA-N 376.438 1.526 0 50 GDAA Cc1nc2cncc(N3CCN(S(=O)(=O)CC45CCC(CC4)C5)CC3)n2n1 329653865 LKMSKULVBPZNPW-UHFFFAOYSA-N 390.513 1.465 0 50 GDAA C[C@@H](NC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1)C(=O)N1Cc2ccccc2C1 475073690 YDITYTNAOAYPTJ-RHSMWYFYSA-N 393.509 1.526 0 50 GDAA C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 253428176 IMDSITPCEZKQOG-KZNAEPCWSA-N 388.512 1.819 0 50 GDAA O=C(NCC1(CO)CCOCC1)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 363857229 ZCTBSYNQOOTBFL-HSALFYBXSA-N 387.524 1.985 0 50 GDAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCN2C(=O)CNC(=O)[C@@H]2C1 71757231 ZRQPEYCUADLBTK-IBGZPJMESA-N 390.443 1.946 0 50 GDAA O[C@H](CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1F 158712399 PYNQBWKRKCHTKG-GOSISDBHSA-N 387.459 1.308 0 50 GDAA COCCc1noc([C@@H](C)NC(=O)c2cnc(-c3cccc(C)c3)[nH]c2=O)n1 82092065 QOLVEAPHPLJUGD-GFCCVEGCSA-N 383.408 1.808 0 50 GDAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccc(-n3cnnn3)cc2)cn1 222494468 AYMANUGSBQWZIT-MSOLQXFVSA-N 380.408 1.332 0 50 GDAA CO[C@@H](CNC(=O)N1CCC(c2nnc(CO)n2C)CC1)c1cccs1 426563564 WYLPGJFVHNXKOR-ZDUSSCGKSA-N 379.486 1.646 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 426477821 AZYBPOMNMONCNL-ZDUSSCGKSA-N 380.445 1.778 0 50 GDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 284857413 KWNPYDCHJMFWDS-ZDUSSCGKSA-N 392.481 1.259 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)NCCSc3nc[nH]n3)CC2)cc1 426606700 FYQZWALWRKKVSY-UHFFFAOYSA-N 390.469 1.073 0 50 GDAA O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1cccc(N2CCNC2=O)c1 222709077 KTQONUGRYFVARW-KVZIAJEVSA-N 380.448 1.723 0 50 GDAA CN(C)C(=O)N1CC[C@]2(O)CCN(C(=O)COc3cccc(F)c3)C[C@@H]2C1 91745722 LRWHKBYWJBBRJI-AUUYWEPGSA-N 379.432 1.171 0 50 GDAA CCN1CCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1=O 95519658 MUYOXJHKOQLMLE-SFHVURJKSA-N 393.553 1.139 0 50 GDAA O=C(c1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC[C@]2(CCOC2)C1 91707307 AZYNFAZJFFYAKA-IBGZPJMESA-N 378.494 1.564 0 50 GDAA COc1ncccc1C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95372198 ZNUZSYNAFMXQMX-AWEZNQCLSA-N 381.440 1.483 0 50 GDAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)NCc2nccs2)c1 95352168 ZDZWLSQKGSSWLC-UHFFFAOYSA-N 391.478 1.248 0 50 GDAA Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCOC3)c2)o1 95383908 RSAOYQRNOPDSKZ-CQSZACIVSA-N 378.450 1.833 0 50 GDAA CCCCNC(=O)CN(C)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95391212 RDYPOKVIDHOIHR-UHFFFAOYSA-N 387.484 1.398 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC(c2nccn2Cc2cccnc2)CC1 95524763 UBBYVGPYYBIIGD-UHFFFAOYSA-N 378.436 1.289 0 50 GDAA Cc1ccccc1CN1CCC(NC(=O)C2(S(C)(=O)=O)CCOCC2)CC1 292393349 XLKNMTJPLPYSOF-UHFFFAOYSA-N 394.537 1.669 0 50 GDAA CCC[C@@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)c1nccn1C 534649934 MMZGRSOQRLGVBE-CYBMUJFWSA-N 376.461 1.329 0 50 GDAA COc1ccccc1[C@@H]1NC(=O)N(Cc2nncn2C(C)C)C2=C1C(=O)OC2 263615740 DZTVVULDNPJWML-KRWDZBQOSA-N 383.408 1.945 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccncc3)OCC(=O)N2C2CC2)cc1 1940197498 VJUAEWILERGGMS-RTWAWAEBSA-N 395.459 1.880 0 50 GDAA O=C(c1cccn2c(O)nnc12)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 1342758571 QBCZDCQAYLPHBS-ZIAGYGMSSA-N 379.420 1.557 0 50 GDAA Cc1cc(N2CCC(NC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)CC2)[nH]n1 275963601 KMKPOMSRQJSHKQ-AWEZNQCLSA-N 383.452 1.617 0 50 GDAA Cc1nc(C)c(C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)s1 276624885 WTUPQOBFWHHGRF-AWEZNQCLSA-N 390.513 1.668 0 50 GDAA CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2c(C)csc2C(=O)OC)CC1 170602766 UNPTUMPXLZNZFK-CYBMUJFWSA-N 396.513 1.907 0 50 GDAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1cnn(CCN2CCOCC2)c1 747561196 GYUDBVVGYXMARL-SFHVURJKSA-N 385.472 1.513 0 50 GDAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@@H]1CCCOC1 788408380 DRPOKTKAQDCCDZ-NWDGAFQWSA-N 391.873 1.985 0 50 GDAA CN(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)N1CCC(C(=O)O)CC1 1506408959 UMWMIPVXSZOQRD-UHFFFAOYSA-N 378.454 1.346 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)Cc3n[nH]c4ccccc34)CC2)C1 1529195675 NEZISDOPSKTELM-LJQANCHMSA-N 397.479 1.967 0 50 GDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 1704329725 YPPWBXPTPISNTO-IBGZPJMESA-N 376.424 1.155 0 50 GDAA CCN1C[C@@H]2CC[C@@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O 1848443474 VCOQRRVEIUTMFC-ZYUSOZBYSA-N 377.525 1.515 0 50 GDAA NC(=O)C1(NC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)CCCCC1 1772811198 RGGCGRFERYQNLW-ZDUSSCGKSA-N 392.525 1.389 0 50 GDAA COCCNS(=O)(=O)c1c(C)cc(N2CCCCS2(=O)=O)cc1C 12004288 DBURPNLFSXZYEP-UHFFFAOYSA-N 376.500 1.158 0 50 GDAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)N3CCNC(=O)CC3)nc(C)c2c1 12211211 GVOVAYYMGKDKNK-SFHVURJKSA-N 397.479 1.654 0 50 GDAA C[C@@H](C(=O)Nc1cccnc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380940 SOEFOSQNUZKTTK-LBPRGKRZSA-N 377.422 1.646 0 50 GDAA COCCCn1cnnc1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12707021 YPMGKDCJRUMOBY-QGZVFWFLSA-N 391.516 1.750 0 50 GDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 15079619 GHYKXQCGAYLKLU-QGZVFWFLSA-N 390.532 1.485 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1C(=O)N1CCCC1 16649143 MCZZKWCVOYVRGZ-SJORKVTESA-N 396.509 1.855 0 50 GDAA Cc1nc(-c2cn([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nn2)no1 169780503 TTWWTSSUKANKHH-CYBMUJFWSA-N 382.380 1.843 0 50 GDAA Cc1nc(-c2nnc3n2C[C@]2(CCN(C(=O)Cc4ccccc4)C2)OC3)co1 1857685112 OYBVPABXSPDWCZ-HXUWFJFHSA-N 379.420 1.986 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@@H]1CCOC1 1857698344 MLMQYMHUYBTIRZ-AXVVYFOYSA-N 388.512 1.359 0 50 GDAA COc1ccnc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1 1857710401 VRHZCKQEHSNREU-PMACEKPBSA-N 398.463 1.400 0 50 GDAA COC1(C(=O)NCCc2ccccc2F)CCN(C(=O)c2[nH]nnc2C)CC1 1857713426 IGOVECVILDDSCZ-UHFFFAOYSA-N 389.431 1.232 0 50 GDAA O=C(c1ccsn1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 864096733 DLKWNTHQLLNGDH-UHFFFAOYSA-N 399.520 1.839 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)(c2ccccc2)CC1 1875266900 FXYYSZQDQUDWSD-JOCHJYFZSA-N 395.503 1.862 0 50 GDAA CC[C@H](C)[C@@H](O)Cc1nc(Cn2cncn2)nn1-c1ccnc2cccnc12 1875336094 RWTVQHUUHNYJMW-BBRMVZONSA-N 378.440 1.800 0 50 GDAA CO[C@@H]1CN(c2ccnc(NCc3ccc4c(=O)cc[nH]c4c3)n2)C[C@@H]1N(C)C 1875398606 YEONQAFVLOOGFY-PKOBYXMFSA-N 394.479 1.695 0 50 GDAA COc1ncc(Br)cc1CN[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400127 RJIBAARBKCEKPA-NILFDRSVSA-N 381.274 1.979 0 50 GDAA Cn1cc(C[C@@H]2NC(=O)CCN(CC[C@H]3CC[C@H](C(F)(F)F)O3)C2=O)cn1 1875404242 AYIZSAKZEHLALX-HZSPNIEDSA-N 388.390 1.180 0 50 GDAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 36708246 ARVDGXBUCHSXCW-UHFFFAOYSA-N 398.467 1.676 0 50 GDAA CCn1cnc2c1CCN(C(=O)CCOC[C@@H]1CCCO1)C21CCOCC1 1775962875 RKJAQXWZFDFICB-INIZCTEOSA-N 377.485 1.879 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NC3CCN(c4cnccn4)CC3)cn12 2100543332 PTBFXLJGQZPOHU-SFHVURJKSA-N 395.467 1.608 0 50 GDAA COc1ccnc(NC2CCN(S(=O)(=O)c3cnc(Cl)n3C)CC2)n1 2325738158 CPLIKDLFOUJDQZ-UHFFFAOYSA-N 386.865 1.137 0 50 GDAA NCc1nc(C2CCN(C(=O)/C=C/c3c(Cl)nc4ccccn34)CC2)n[nH]1 2325755101 MXLHJDGSBDXIIH-SNAWJCMRSA-N 385.859 1.984 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)NC(=O)CCCCC2CCNCC2)cc1 2325868610 CVTGQYLPHRDCBV-UHFFFAOYSA-N 395.525 1.552 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1 2325888377 NNGLOEFHBGIWCS-OAHLLOKOSA-N 387.455 1.971 0 50 GDAA CC1CCN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325893461 ISNDENYRNZLSOA-INIZCTEOSA-N 384.436 1.711 0 50 GDAA O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 812368 XDPNCELFGUUGLQ-ZDUSSCGKSA-N 388.873 1.270 0 50 GDAA COc1cccc2c1C1(CCN(S(=O)(=O)N3CCOCC3)CC1)OCC2 2356142420 RDFUAHZIOGPTOT-UHFFFAOYSA-N 382.482 1.136 0 50 GDAA CC(C)N1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc(C(=O)O)cc2)C1=O 2356154728 HQIUVDMNOSKSTD-GOSISDBHSA-N 380.466 1.939 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 55090500 MLLCWJVQJGCBLE-KRWDZBQOSA-N 379.526 1.714 0 50 GDAA CN1CCN(c2ccccc2NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 225777183 YDXZQKIGDQJHFA-GOSISDBHSA-N 385.443 1.926 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 29119908 UHBPNXBPDVIDOP-UHFFFAOYSA-N 384.480 1.963 0 50 GDAA CN(C)CCN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67852461 LJPBKYIFUGCTRQ-UHFFFAOYSA-N 387.528 1.554 0 50 GDAA COCc1nc(Cn2c(=O)n(C3CCCCC3)c3ncc(C(=O)O)cc32)no1 65397053 IDDYFNBBGZOQRA-UHFFFAOYSA-N 387.396 1.979 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCc3cnn(C)c3)C2=O)c1 67803751 YNUIUQHVOWXTHC-IBGZPJMESA-N 376.432 1.211 0 50 GDAA Cc1ccccc1N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 121140649 LAXRSZIOUIBMSX-UHFFFAOYSA-N 386.477 1.141 0 50 GDAA O=C(c1cscn1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71763118 DUWFKELRRGIFKS-HNNXBMFYSA-N 392.525 1.319 0 50 GDAA CCN(CC)[C@@H]1CCN(c2ncnc3c2CCN(C(=O)c2cccnc2)C3)C1 71779863 YISNSNGQMSEFIA-QGZVFWFLSA-N 380.496 1.991 0 50 GDAA O=C(C1CCN(Cc2ccco2)CC1)N1CCC(N2CCC[C@@H](O)C2)CC1 72151708 KCULEMRXXURNCJ-LJQANCHMSA-N 375.513 1.939 0 50 GDAA O=C([C@H]1CCCN(C2CCN(Cc3nccs3)CC2)C1)N1CCOCC1 71419100 UZOWHBBXKMINEC-INIZCTEOSA-N 378.542 1.678 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 328612591 PHYYCGQILVSLRH-DIFFPNOSSA-N 379.438 1.238 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c2cnn(C)c2n1 329937795 LSCYWDCTOMOKGE-STQMWFEESA-N 387.419 1.311 0 50 GDAA CC(C)[C@@H](C(=O)N1CC[C@@H](C)S(=O)(=O)CC1)S(=O)(=O)C1CCCCC1 372868527 YWQLJSMDQLUWCY-ZBFHGGJFSA-N 393.571 1.794 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(C(C)C)no3)CC2)C1 71751289 VCNZHKQZLBGOCU-MRXNPFEDSA-N 393.532 1.632 0 50 GDAA Cc1cccc(-n2nc(C)n(CC(=O)NCCNc3ncccc3C)c2=O)c1 77356525 UWMLCACLJHSZQQ-UHFFFAOYSA-N 380.452 1.583 0 50 GDAA O=C1C[C@@]2(CCN(S(=O)(=O)c3ccc(-c4ccccn4)s3)C2)C(=O)N1 82134955 UONKTLXXXFPDTJ-MRXNPFEDSA-N 377.447 1.237 0 50 GDAA COc1cc(CCNC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cc(OC)c1 426518716 GDZQJRRFDVDSNZ-IBGZPJMESA-N 377.441 1.920 0 50 GDAA COc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)ccc1OCCN 426373617 MYKXUKWJWMCNIA-GOSISDBHSA-N 387.411 1.485 0 50 GDAA CC(C)NC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1 91650915 ZBMFDGHWLZUYCI-UHFFFAOYSA-N 388.493 1.731 0 50 GDAA COCCNC(=O)c1ccc(OC2CCN(C(=O)CN(C)C)CC2)c(Cl)c1 95528201 TYHGBMXOKPNRED-UHFFFAOYSA-N 397.903 1.648 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)CN1Cc1coc(-c2ccccc2)n1 96151219 SBQGZYCAAIMECM-WBVHZDCISA-N 378.436 1.933 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1NS(=O)(=O)N(C)C 95385993 GVSRLDRGFHKHGB-WMLDXEAASA-N 378.498 1.661 0 50 GDAA COc1ccc(Cc2nc(-c3nn(C)cc3Cl)n(CCO)n2)cc1OC 96162867 NRJWBJDZRUCERH-UHFFFAOYSA-N 377.832 1.932 0 50 GDAA CN(C)[C@@H](C(=O)NCCCc1nnc2ccccn12)c1ccc2c(c1)OCO2 244866425 VWASPUCTJGGSII-LJQANCHMSA-N 381.436 1.810 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)CCc2csc(N)n2)C1 244708218 KPOVNDQVTIIJJY-AULYBMBSSA-N 386.485 1.094 0 50 GDAA Cn1c(CCNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)nc2ccccc21 252492382 MKHNRELKIVCEDS-GOSISDBHSA-N 375.436 1.703 0 50 GDAA CC(C)c1nnc2n1C[C@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)CC2 181753898 YFKUZVYRUXAUTJ-IAGOWNOFSA-N 396.495 1.989 0 50 GDAA C[C@@]1(c2ccc(C(=O)NCCc3ccc(C(=O)O)cc3)cc2)NC(=O)NC1=O 299752009 SIUPMYMTDRMAHC-FQEVSTJZSA-N 381.388 1.412 0 50 GDAA CCc1nn(C)cc1-c1cccc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1 299798732 ULDTTWAPAQUKIA-QGZVFWFLSA-N 383.496 1.577 0 50 GDAA CN(C)c1cccc2[nH][nH]c(=NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)c12 1940198018 HWXBHDXTBWRNTE-ZDUSSCGKSA-N 378.436 1.433 0 50 GDAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 824216741 PZVSSORICDALOM-RYUDHWBXSA-N 380.422 1.926 0 50 GDAA COCCN1C[C@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1=O 824412386 LNJBDIZNEZZSQZ-SFHVURJKSA-N 384.480 1.773 0 50 GDAA O=C(c1cncc(OCC(F)F)c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1326747243 YNQLQZXNMUDMFE-CYBMUJFWSA-N 389.424 1.366 0 50 GDAA CCN1C[C@H](CN(C)S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1=O 952872114 KBSDZPSEOUVTON-HNNXBMFYSA-N 393.509 1.692 0 50 GDAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1nnc(O)c2ccccc12 952873688 MWKWTESJCMELBF-QGZVFWFLSA-N 379.420 1.534 0 50 GDAA CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)n1 408521230 MRXXVXQTSSXYBQ-HNNXBMFYSA-N 392.481 1.862 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](C)(O)C3)CC2)cc1 170018019 ASHKWQXIAFLTAA-LJQANCHMSA-N 396.509 1.469 0 50 GDAA COCCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 170596467 FHGWXVAUMGUTCY-KGLIPLIRSA-N 386.474 1.089 0 50 GDAA CCN(CCc1nc2ccccc2[nH]1)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 1506397938 GMVAWIFRAKXRMP-CYBMUJFWSA-N 380.470 1.469 0 50 GDAA COc1ccc(OC)c(CN(C(=O)c2c[nH]nc2-n2cnnn2)C2CCCC2)c1 1506420509 GUMWOYXEPCGOFT-UHFFFAOYSA-N 397.439 1.988 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2n[nH]cc2Cl)cc1OC 1529173489 WXHKTFADBUYFDZ-GDBMZVCRSA-N 381.816 1.655 0 50 GDAA O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 1529090434 IQMBOUQHVLTCPL-NVXWUHKLSA-N 380.872 1.394 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N[C@H](CCn1ccnc1)c1ccccc1 11664663 IUFICZMBYPMNIN-GOSISDBHSA-N 394.483 1.413 0 50 GDAA O=C1NCCN(Cc2cccc3ccccc23)[C@H]1CC(=O)N1CCC(O)CC1 12313811 QHEZPONPDOWECJ-FQEVSTJZSA-N 381.476 1.514 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCCSc1nnc(C)s1 12715854 YXOSHSZXGTVBGX-ZDUSSCGKSA-N 383.543 1.212 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3ccccc3)C2=O)cc1 206245612 AFKOYTGAVBYMNY-GOSISDBHSA-N 381.432 1.865 0 50 GDAA Cc1sc2ccccc2c1-c1nc(CC(N)=O)nn1[C@@H]1CCS(=O)(=O)C1 1857667887 ZHWKMJOHGMQZKW-LLVKDONJSA-N 390.490 1.856 0 50 GDAA Cc1c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(=N)s3)C2)cnc2ccnn12 1857681778 NOAHHTLBYBRQNB-VXGBXAGGSA-N 399.480 1.378 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2ccccc2OC)C[C@H]1NC(=O)CO 1857684779 CVIJUNVMOIJCLS-YQVWRLOYSA-N 392.496 1.426 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CC[C@@H](N(C)C)C3)cc12 1857690553 NAMDMIVNLVZFEW-OAHLLOKOSA-N 391.537 1.935 0 50 GDAA COc1ncccc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2csc(C)n2)C1 1857694758 WOYDAFATAVSMOK-DNVCBOLYSA-N 388.493 1.620 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCCn3nc(C)cc3C)CC2=O)s1 1857700802 HTDYUKXDUYZJBZ-CYBMUJFWSA-N 392.485 1.057 0 50 GDAA O=C1CCCN1CCC(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857708275 YZLYWCMGPMOWRJ-NRFANRHFSA-N 384.480 1.879 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857713983 GHFXDZWMADEEJQ-LESCRADOSA-N 382.457 1.881 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cn1 1857715836 KQFWOYKGAXUWOI-IEBWSBKVSA-N 382.464 1.816 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)Cn4c(=O)oc5ccccc54)[C@@H]2CC(=O)N13 1857719235 HSWNRYAXXFDEFH-NBQZKYEYSA-N 385.420 1.179 0 50 GDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3C)[C@@H]2C1 1857724695 NJKJCLUWMUYMOG-USXIJHARSA-N 383.452 1.331 0 50 GDAA Cc1cc(F)ccc1N1CCC(N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)CC1 1857736028 MUIFXQMLLRHWSJ-UFYCRDLUSA-N 377.504 1.917 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cnc(O)c3ccccc23)[C@H]1c1cnn(C)c1 1857739556 MYOULKRHSBAQAS-OALUTQOASA-N 395.463 1.818 0 50 GDAA O=C(COc1ccccc1)NCCn1cc(C(=O)NCc2cccs2)nn1 14991115 LDTGPHKPBJBAJX-UHFFFAOYSA-N 385.449 1.465 0 50 GDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1c(CO)nc3ccccc31)C2 247990770 KLNUXQNXIILGHD-CVEARBPZSA-N 384.480 1.778 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 1875394777 WLQJOPVFYMJUHX-HUUCEWRRSA-N 383.562 1.354 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 1875371698 JMDCIOHUMOXFIZ-CHWSQXEVSA-N 399.417 1.786 0 50 GDAA Cc1nccnc1[C@H](C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397331 WDLNMQNSKSCUAB-JKSUJKDBSA-N 383.500 1.823 0 50 GDAA Cn1cncc1[C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1CNC(=O)C1CC1 1775962808 IJYCBRKQHPIYBG-NVXWUHKLSA-N 396.495 1.335 0 50 GDAA O=C(NCCO)c1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1 2292303 JGGOYCTWLMERAE-UHFFFAOYSA-N 378.432 1.856 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cccc(C)c2)cc1OC 2100534650 RPPCKLJITWAUMT-RTWAWAEBSA-N 398.459 1.927 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 2325888611 KJWNFGXACOLRNZ-HIFRSBDPSA-N 375.856 1.986 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(N3CCOCC3)c(C)c2)CC[C@@H]1O 2356142774 HGWHMDXQUMRNTH-GHTZIAJQSA-N 390.480 1.910 0 50 GDAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)CC1 55131473 GSEFSZBQTBNYSU-SFHVURJKSA-N 377.460 1.401 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1C 20467520 GXWUEXZIQRSZJF-UHFFFAOYSA-N 391.493 1.708 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1 409413103 CNSMLZIACKIKLG-HNNXBMFYSA-N 396.403 1.134 0 50 GDAA OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 27646862 XVYLNHVEAOOEGI-RROAVTMRSA-N 397.556 1.149 0 50 GDAA in-vitro Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328635442 UTHXOIYSLBHUFC-HNNXBMFYSA-N 380.518 1.556 0 50 GDAA CN(C)Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 328626071 LICDZSPDECUTIX-KRWDZBQOSA-N 376.482 1.094 0 50 GDAA COCCn1c(CN2CC[C@H](O)C2)cnc1S(=O)(=O)CC1CCCCC1 39518441 SWBSYVYZXZJIAB-KRWDZBQOSA-N 385.530 1.450 0 50 GDAA CCc1c(-c2ccccc2)n(CCCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 12413147 MGUJBNOCMOMULM-UHFFFAOYSA-N 381.436 1.298 0 50 GDAA biogenic COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(C)cc1 1078251 YPBBEYILPSZVHU-ZYHUDNBSSA-N 388.445 1.784 0 50 GDAA CCOC(=O)c1nnn(-c2nc(N(C)C)nc(N(C)C)n2)c1-c1ccccc1 1446093 CKEGATUPHPBCGW-UHFFFAOYSA-N 382.428 1.428 0 50 GDAA C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O)C(=O)NC(C)(C)C 121193033 UPIRJHIGFLLSQB-JSGCOSHPSA-N 378.448 1.924 0 50 GDAA COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 77516581 HXKLYPNAZMHKSF-QGZVFWFLSA-N 396.509 1.407 0 50 GDAA Cc1sc(C(=O)O)cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1 327323809 CUHXDHBMJSUJKG-UHFFFAOYSA-N 388.511 1.488 0 50 GDAA Cc1nc(N2CCc3nnc(Cc4cccnc4)n3CC2)c2c(C)nn(C)c2n1 72433790 IHEPKWSMWOUIJK-UHFFFAOYSA-N 389.467 1.620 0 50 GDAA CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1nc(=O)c3ccccc3[nH]1)CC2 367121839 TWTZEDYLFFGHKT-UHFFFAOYSA-N 397.456 1.568 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 367558376 ALFOXRZQJKDFEZ-LLVKDONJSA-N 395.466 1.602 0 50 GDAA Cc1csc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)n1 77385435 DBOWRZREJOUVEZ-FIIQBIKZSA-N 375.494 1.990 0 50 GDAA COc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc(S(C)(=O)=O)c1 490645231 MUIZLLIXDROFGU-CVEARBPZSA-N 383.470 1.036 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCOC[C@@](O)(CN2CCCC2)C1 77456220 UVJUUIKQNQTWNZ-OAQYLSRUSA-N 385.464 1.949 0 50 GDAA CN(C)CCN1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 377530916 FQZZHEPROBWKRZ-UHFFFAOYSA-N 396.482 1.571 0 50 GDAA COc1ncc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1C(N)=O 378331257 JKGDFTPEUUPCCI-DZGCQCFKSA-N 388.428 1.043 0 50 GDAA CS(=O)(=O)NCC[C@H]1CCCCN1CCn1cnc2ccccc2c1=O 172244746 MMQNDYMGDLCZRG-OAHLLOKOSA-N 378.498 1.190 0 50 GDAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)N[C@H](CC)CO)cc2)s1 242273467 YCXGZSRNGJGZTG-SNVBAGLBSA-N 399.498 1.794 0 50 GDAA CN1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 17081579 NOJZFPRMGUEQIM-UHFFFAOYSA-N 398.554 1.088 0 50 GDAA COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 263554368 NGLAYQGUZIWQFF-GFCCVEGCSA-N 383.447 1.817 0 50 GDAA O=C1CC2(CCN(C(=O)[C@@H]3CNCCO3)CC2)CN1C/C=C/c1ccccc1 91770047 WDVYAEQGUFZDCO-QTWIXLPOSA-N 383.492 1.529 0 50 GDAA COCC(=O)N1CCC(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)CC1 95390339 ZCZIAHUOQKJYOX-GOSISDBHSA-N 375.469 1.474 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)CC[C@@H]1N1CCOCC1 91997480 MYQGPTBCZWSFIH-AEFFLSMTSA-N 393.459 1.923 0 50 GDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2cc(=O)[nH]c(N)n2)C1 95522338 OLCITZICKQHFKS-FQEVSTJZSA-N 384.436 1.495 0 50 GDAA CN(Cc1nccs1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N)C2)c1 97785584 RPEVUTZEKZGFER-ZDUSSCGKSA-N 380.495 1.137 0 50 GDAA CC1(C)CN(CC(F)(F)F)CCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 180411258 DLSDPVAGTYMICB-STQMWFEESA-N 389.418 1.647 0 50 GDAA Cc1cnc(-n2cnnc2)c(-c2cccc(C(=O)N[C@@H]3CCCNC3=O)c2)c1 534577250 ZTMUNFJFCDXKJD-QGZVFWFLSA-N 376.420 1.646 0 50 GDAA COCCN1CCC[C@]2(CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)C1=O 72163796 MILCKXJFMLXNTA-HXUWFJFHSA-N 385.468 1.447 0 50 GDAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1N1CCOCC1 483279566 GVCJIGUKGHDAAW-UHFFFAOYSA-N 392.452 1.866 0 50 GDAA Cc1nc(CN2CCC[C@H](CNC(=O)CN3CCCN(C)CC3)C2)n(C)c1C 823778397 VJPSKZFRONPODH-LJQANCHMSA-N 390.576 1.003 0 50 GDAA Cc1cc(C)n(CC(=O)NCC2CCN(c3nnnn3-c3ccccc3)CC2)n1 952991445 PMLMWQQMTNHUIC-UHFFFAOYSA-N 394.483 1.508 0 50 GDAA C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2nc(C(=O)O)cs2)C1=O 268912404 YTELGSVMTOVOHT-JTQLQIEISA-N 375.406 1.662 0 50 GDAA Cc1ccn2cc(C(=O)Nc3nnc(SCC(=O)N(C)C)s3)nc2c1 1506431583 PWTRBKAOYYKTTE-UHFFFAOYSA-N 376.467 1.927 0 50 GDAA CC(C)(C(=O)N1CCCN(Cc2ccc3c(c2)CCO3)CC1)N1CCOCC1 1529191887 HZHMTCBPKTZYKK-UHFFFAOYSA-N 387.524 1.767 0 50 GDAA COc1cc(-c2onc(NC[C@H]3CN(C)CCN3C)c2C(=O)O)ccc1F 1704315831 OZOAZZPXVFWXSE-LBPRGKRZSA-N 378.404 1.845 0 50 GDAA CN1CCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CC12CCOCC2 1775982711 OESRNVFDCMCEIN-UHFFFAOYSA-N 386.496 1.257 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCCN(C(=O)c3cscn3)CC2)c(O)n1 1772710847 TUSFAFLZLOPNPF-UHFFFAOYSA-N 375.454 1.173 0 50 GDAA Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14749758 FMAOHMXDTHYNTE-QEJZJMRPSA-N 376.844 1.744 0 50 GDAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3Cl)CN2C1=O 14751016 FWMXVOQZLFULBH-CQDKDKBSSA-N 393.875 1.058 0 50 GDAA CN1CC[C@]2(C(=O)NCCn3cccn3)CCCN(CCCn3cccn3)[C@H]2C1 1857680219 IJCLTNBJDQDJAB-PZJWPPBQSA-N 399.543 1.072 0 50 GDAA O=C(NCc1nnc2ccccn12)c1cc2c(s1)C1(CCNCC1)OCC2 1857684419 NDPXNHYPEFTGJM-UHFFFAOYSA-N 383.477 1.872 0 50 GDAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)sc2c1 1857715693 CYRSEKLLYFVHDV-AWEZNQCLSA-N 388.493 1.406 0 50 GDAA COCCN(CCOC)C(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857731632 NBTUIZAOUUKOIC-ZDUSSCGKSA-N 377.466 1.771 0 50 GDAA CCc1nn(C)cc1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328606736 SRKBYQVHXTYCIB-QGZVFWFLSA-N 386.500 1.213 0 50 GDAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 332317379 NBJFLCSQXZEMMQ-NSHDSACASA-N 381.358 1.953 0 50 GDAA Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 20281516 BPCLDKFHDXOCNA-UHFFFAOYSA-N 395.525 1.232 0 50 GDAA COCCc1noc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)n1 1704336878 KHULWSGKRWXPRU-KXBFYZLASA-N 375.425 1.139 0 50 GDAA C[C@@H]1CC(=O)Nc2ccc(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)cc2N1 913792591 OIAWQHHXCKDJEX-DQYPLSBCSA-N 389.452 1.822 0 50 GDAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@@H](N)[C@H]2CCc3ccccc32)CC1 1875287487 LVNITJXWJUOJNN-PXNSSMCTSA-N 396.466 1.631 0 50 GDAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)C2CC3(C2)C[C@@H](N)CCS3(=O)=O)C1 1875277086 FSSFYANNSSHJLL-YJBCQJRQSA-N 399.601 1.688 0 50 GDAA COC(=O)c1ccc(OC)c(Cn2c(=O)c(Br)cn(C)c2=O)c1 1875282165 PNXASGJXWTXIBY-UHFFFAOYSA-N 383.198 1.153 0 50 GDAA O=c1c2cnn(CCOc3ccccc3)c2ncn1C[C@H](O)C[C@@H]1CCCO1 1875291078 NDVHYIHIKWGYEF-WBVHZDCISA-N 384.436 1.602 0 50 GDAA COc1ccc(CCNc2cc(N3C[C@@H](OC)C[C@H]3CN)ncn2)cc1OC 1875392033 PSMWGPOYHIFHBC-HOTGVXAUSA-N 387.484 1.701 0 50 GDAA O=C(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)[C@H]1[C@H]2CCC(F)(F)[C@@H]12 1875305829 JLYQWAAMUFQZRA-FRRDWIJNSA-N 391.417 1.211 0 50 GDAA CCc1cccnc1C(=O)N1CCC2(CC1)Cn1nc(C(=O)NC)cc1CO2 1775962877 ROVUFRTWLKQVHX-UHFFFAOYSA-N 383.452 1.405 0 50 GDAA CCc1nc(CC(=O)N2CCOC3(CCS(=O)(=NC(C)=O)CC3)C2)cs1 2325785249 LVBRUAOZXHMAIG-UHFFFAOYSA-N 399.538 1.654 0 50 GDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CC[C@H](c3cncc(F)c3)C1)NS2(=O)=O 2325810307 ICPRPPFGPJRAMS-SJCJKPOMSA-N 390.440 1.575 0 50 GDAA Cc1ncn(-c2ccc(NC(=O)C(C)(C)C(=O)NS(C)(=O)=O)cc2)c1C 2325824709 NKQAJKQDGZSLFM-UHFFFAOYSA-N 378.454 1.530 0 50 GDAA C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 796594 PKKJRYQWRZBIJY-ZDUSSCGKSA-N 388.493 1.539 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1 815447 YHDAUWWEAKUZCL-UHFFFAOYSA-N 382.463 1.802 0 50 GDAA COc1cccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 882625 RNEUJPDSECGQOF-UHFFFAOYSA-N 378.406 1.829 0 50 GDAA COC(=O)[C@@H](CCSC)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1765749 ABPLCXAGCAZQED-CQSZACIVSA-N 379.434 1.891 0 50 GDAA biogenic O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCc1ccco1 2877229 XGIRKIRYORODND-UHFFFAOYSA-N 395.415 1.592 0 50 GDAA CN(C)S(=O)(=O)CCCN1CC[C@H]2[C@@H]1CCN2Cc1ccncc1Cl 2356155126 YFKHUNAOZPEHTL-IRXDYDNUSA-N 386.949 1.665 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)CCc2nc(-c3ccncc3)no2)CC[C@H]1O 2356157413 JVMKHKRLNXRYRY-AUUYWEPGSA-N 388.424 1.529 0 50 GDAA CS(=O)(=O)CC1CCC(NS(=O)(=O)c2cc(F)cc(C(=O)O)c2)CC1 414331700 UBRSXZWGMOUSEL-UHFFFAOYSA-N 393.458 1.406 0 50 GDAA C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 225663876 KGCNYWKNLKZJCG-DAESXHAQSA-N 388.464 1.632 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCC(O)CC3)nc2)CC1 67675535 BLBHYRMNMGVHPD-UHFFFAOYSA-N 386.496 1.517 0 50 GDAA CCN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 23375482 DIKFFBQVRRMEFU-SFHVURJKSA-N 396.557 1.383 0 50 GDAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(O)(c2ccc(F)cc2)CC1 63834245 FRXXAWADIWZFLR-UHFFFAOYSA-N 382.391 1.932 0 50 GDAA O=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67514931 CMVNHQMOZQDJFZ-LBPRGKRZSA-N 399.838 1.922 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)Nc3cc(F)ccc3C)nn2)CN1 67788931 XULXVCRGDWPMEV-ZBFHGGJFSA-N 389.435 1.039 0 50 GDAA CS(=O)(=O)N1CCC(C(=O)NCCCN2CCCc3ccccc32)CC1 67620575 QDIYPBZLUZLSJD-UHFFFAOYSA-N 379.526 1.617 0 50 GDAA CO[C@@H]1CCCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1 67754722 VLPXNHFLZDTIFD-LJQANCHMSA-N 388.512 1.634 0 50 GDAA COC(=O)CN1CCC[C@@H](CNc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 253630212 DFFPSRKFOYQEPK-AWEZNQCLSA-N 396.451 1.818 0 50 GDAA CCN(CC)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 363339348 VHJIQTQMSFBDMU-IAGOWNOFSA-N 387.480 1.963 0 50 GDAA CCN(CC)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 363339347 VHJIQTQMSFBDMU-DLBZAZTESA-N 387.480 1.963 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 31949899 IULYMLJKBOMKID-KRWDZBQOSA-N 393.509 1.097 0 50 GDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCOC[C@@H](O)C3)cs2)n1 77459440 STDWZEMSTBWMKL-VIFPVBQESA-N 376.360 1.489 0 50 GDAA CN(C1CCOCC1)S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1 215950667 ZRZHKIODLJRMLT-UHFFFAOYSA-N 379.438 1.404 0 50 GDAA Nc1cc(O)nc(CCNC(=O)N2CCC(Oc3ccccc3F)CC2)n1 426739020 IPWVBAVTAFVSKO-UHFFFAOYSA-N 375.404 1.699 0 50 GDAA COc1cc2c(cc1CN1CCC[C@@]3(CCC(=O)N(CCO)C3)C1)OCCO2 91644789 MCNNESJTFXODPQ-OAQYLSRUSA-N 390.480 1.663 0 50 GDAA Cc1nc(-c2ncc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c(O)n2)cs1 96131798 UHHSJEUWINRBJC-UHFFFAOYSA-N 384.421 1.172 0 50 GDAA C[C@H]1CN(C[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2CO)C[C@@H](C)O1 91390669 ZEBFMIXAEFQJOO-UKBAYJJMSA-N 375.513 1.542 0 50 GDAA CC(C)c1cc(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)nc2ncnn12 91518732 HVPDRIDNLCEUNY-SFHVURJKSA-N 395.467 1.446 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cnc(N3CCN(C)CC3)nc2C)C[C@H]1C(=O)O 97674198 NWTUOJDBYUREBG-GDBMZVCRSA-N 375.473 1.110 0 50 GDAA CC(=O)c1cc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)cs1 91831048 YTLQVBZMNPYGJQ-UHFFFAOYSA-N 382.511 1.602 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCCc4ccncc4)c3CO2)cc1 263615130 ASEGKTKPVPLKGB-SFHVURJKSA-N 379.420 1.926 0 50 GDAA O=C(NCCCn1ncc2ccccc21)[C@H]1CC(=O)N(Cc2ccncc2)C1 827696719 RJAZSFNCNLVVCH-SFHVURJKSA-N 377.448 1.986 0 50 GDAA COc1ccccc1C1CCN(C(=O)NC[C@H]2CN(C(C)=O)CCO2)CC1 584895777 RIBVJLQTEPFOKW-KRWDZBQOSA-N 375.469 1.832 0 50 GDAA O=C(Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)cc1)NC1CC1 952986589 GZZUUIZAQMIBSJ-QGZVFWFLSA-N 392.459 1.890 0 50 GDAA COCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c1 952971634 KVXCPUIVEJVMRW-MRXNPFEDSA-N 376.457 1.117 0 50 GDAA CN(C)CCO[C@H]1COCC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1 1565511182 ORNAJSWGEINRKT-HOTGVXAUSA-N 376.906 1.495 0 50 GDAA C[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]1CN 408513574 XNCJQRPVBSIYJK-GOEBONIOSA-N 396.509 1.598 0 50 GDAA Cn1ccnc(N2CCC[C@@H](NC(=O)NCc3ccc4c(n3)CCCC4)C2)c1=O 278347978 IHZGVVGDPFWDKP-QGZVFWFLSA-N 396.495 1.522 0 50 GDAA Cn1cnn(-c2ccc(NC(=O)N3C[C@@H](CO)[C@H](c4ccsc4)C3)cc2)c1=O 189275153 XFMSFOBGGLOGRA-YOEHRIQHSA-N 399.476 1.872 0 50 GDAA CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 194662421 JXXHHLQJLBXXNB-UHFFFAOYSA-N 386.500 1.514 0 50 GDAA CC(C)c1nc(CN2CCCN(C(=O)c3cnc4ccccn4c3=O)CC2)no1 1775981769 WMHDVNDYNUKACQ-UHFFFAOYSA-N 396.451 1.549 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCCn1ncc2ccccc21 11842308 WZXKMSZHKBSYPR-LJQANCHMSA-N 383.496 1.676 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C1CCOCC1 12052196 XVNUPSHFPLPWCD-QGZVFWFLSA-N 375.469 1.023 0 50 GDAA Cc1cccn2c(CNCCN3CCOC3=O)c(C(=O)N3CCCCC3)nc12 12440977 GIXDZTSIOIMMBM-UHFFFAOYSA-N 385.468 1.811 0 50 GDAA CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O 14753718 JLVCTCVTLCQNAN-ZIAGYGMSSA-N 383.370 1.513 0 50 GDAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 19301035 IUBBLLUWRZXLTD-UHFFFAOYSA-N 395.463 1.911 0 50 GDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccc(N2CCCC2)c(Cl)c1 1857685042 AQMWIEOMKXVTMT-IKGGRYGDSA-N 393.915 1.894 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(S(=O)(=O)c3cnn(C)c3C)C1)CC2 1857696077 LUKXXOVLTBYWKR-KRWDZBQOSA-N 377.470 1.201 0 50 GDAA CCN(C)c1nc(N(C)C)nc2c1CCC21CCN(C(=O)[C@@H]2CCOC2)CC1 1857707006 VXHSRZUTGITUEB-OAHLLOKOSA-N 387.528 1.842 0 50 GDAA CCc1nccn1CCC(=O)N[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1OC 1875245808 SEKNCCBJNISTIX-GVDBMIGSSA-N 376.501 1.758 0 50 GDAA CCN1CCO[C@@H](CN2CCN(C(=O)c3ccnc(-c4ccco4)c3)CC2)C1 1875271539 PLEGWNZXOUIVFB-GOSISDBHSA-N 384.480 1.820 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cnc3nccn3c2)N1Cc1ccccc1 1875396639 POQBXVPLQUYAEH-IERDGZPVSA-N 395.463 1.111 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)N[C@H]3CCO[C@H]3c3n[nH]c(C)n3)ccc21 1875303080 UJKNZGZULGJKCJ-MAUKXSAKSA-N 381.436 1.838 0 50 GDAA COc1ccc(S(=O)(=O)NC(=O)NCCc2cn3c(n2)SCC3)s1 1875331391 YDNAISNELXOJRE-UHFFFAOYSA-N 388.496 1.290 0 50 GDAA Cc1cnc2c(cnn2CC(=O)N(C)C2CC(NC(=O)C[C@H]3CCOC3)C2)c1 1875325852 VLJMFQPNTDXGOF-ODIFPOPNSA-N 385.468 1.272 0 50 GDAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCC[C@H]3c3nn[nH]n3)=NO2)C1 1875340187 PKQSGZATFJCTBS-YVEFUNNKSA-N 391.432 1.019 0 50 GDAA Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CNS(C)(=O)=O)C1 2325771442 UDFGTMCSAQVUAS-NSHDSACASA-N 385.440 1.060 0 50 GDAA COC(=O)[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cn2nc(C)cc2[nH]c1=O 2325790978 CHCKWHUFIVEPJK-RHSMWYFYSA-N 380.404 1.502 0 50 GDAA O=C1N[C@H](Cc2cc(I)ccc2F)C(=O)N[C@@H]1CCF 2325796492 UUGDWSQIXHDPAU-GHMZBOCLSA-N 394.159 1.316 0 50 GDAA CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)c2nc(C)ccc2OC)C[C@H](O)C1 2325878131 FURCJUQHRLQQOK-TZCWYCDXSA-N 375.469 1.837 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 2325888759 XFCYVMVBOAIPJL-AWEZNQCLSA-N 391.418 1.674 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Br)cc1 824134 LGLHGVFWZOMMOB-UHFFFAOYSA-N 377.260 1.074 0 50 GDAA COc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 1167233 YKISTJAICXMXFU-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)c3n[nH]c(-n4cnnc4)n3)CC1)OCC2 2356152908 HFCRHIBRVPXVSM-UHFFFAOYSA-N 395.423 1.098 0 50 GDAA COc1ccc(CCNC(=O)CSc2nnc(NC(C)=O)s2)cc1OC 2821651 MREJKPNHDMGFFU-UHFFFAOYSA-N 396.494 1.965 0 50 GDAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 2886185 PEIWBGGCKUGWKU-JTQLQIEISA-N 381.230 1.907 0 50 GDAA aggregator CN1CCN(c2ccccc2NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CC1 225777160 YDXZQKIGDQJHFA-SFHVURJKSA-N 385.443 1.926 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)NC1CCN(Cc2ccccn2)CC1 53991082 NHZRFFFCNYPFJJ-UHFFFAOYSA-N 377.452 1.381 0 50 GDAA COc1ccccc1N1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1 67640866 BEIPXOKBXYAXCO-IBGZPJMESA-N 378.436 1.620 0 50 GDAA CCN1C[C@H](NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)CC1=O 65529413 IPZQFOKGBXNXND-QGZVFWFLSA-N 381.480 1.640 0 50 GDAA COCCS(=O)(=O)c1ncc(CN2CCN(C)CC2)n1Cc1ccccc1 67740810 CZQVQZNXZYEGHI-UHFFFAOYSA-N 392.525 1.099 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CNCCC(=O)N(C)C)C2=O)cc1 67974269 VGLBPAFAMGXMIS-NRFANRHFSA-N 375.513 1.731 0 50 GDAA Cn1ccnc1Sc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cn[nH]c3C2)cc1 252572428 ZHSQVHOICSNNGM-CQSZACIVSA-N 396.476 1.907 0 50 GDAA CCCn1cnnc1CNC(=O)[C@H]1CN(c2cnc3ccccc3n2)CCO1 72429400 YOQUDQMBTVANCP-MRXNPFEDSA-N 381.440 1.153 0 50 GDAA CCCN1CCN(Cc2cccc(Cn3cccn3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72423652 KUHROLQRRORLPN-UXHICEINSA-N 388.537 1.625 0 50 GDAA O=C(NCc1n[nH]c(=O)[nH]1)c1cc(Br)c(O)c(Br)c1 128204551 BGJQZQZZBVNSCU-UHFFFAOYSA-N 392.007 1.259 0 50 GDAA C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 241644166 POULWWRJBSUDDT-MELADBBJSA-N 389.518 1.651 0 50 GDAA O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCC(CO)CC2)C1 72151309 YXPGKGCSKCKTNU-MRXNPFEDSA-N 376.453 1.489 0 50 GDAA CNC(=O)CNC(=O)CC[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71388556 BTININDJZQZSFJ-JOCHJYFZSA-N 379.460 1.786 0 50 GDAA O=C(O)c1ccccc1CCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 262721673 FEVDWMNPIBFLTB-OAHLLOKOSA-N 394.518 1.794 0 50 GDAA O=C1NCCN(C(=O)C2CCN(C3CCOCC3)CC2)[C@@H]1c1ccc(F)cc1 426479012 RHWPMFONURTTNA-LJQANCHMSA-N 389.471 1.716 0 50 GDAA COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2nc(C)cs2)c1 95391488 QDDJCPWCQRROOX-NSHDSACASA-N 383.495 1.695 0 50 GDAA COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 238900267 IHZVLNPERQIJQC-SHTZXODSSA-N 399.447 1.926 0 50 GDAA CN(C)CCn1ccnc1[C@H]1CCCN(c2cc(N)nc(N3CCCC3)n2)C1 95522214 PQAPKMHNHNXUAO-INIZCTEOSA-N 384.532 1.801 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)NC[C@@H]1CN(c2ccccc2)CCO1 91915098 AJHKAZSHGNLWFQ-GOSISDBHSA-N 378.432 1.418 0 50 GDAA CSCc1noc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)n1 96166587 JFRJKSKCEJGYSO-SECBINFHSA-N 377.426 1.998 0 50 GDAA COCCCN1CC2(CCN(C(=O)c3ccc(OC)c(O)c3)CC2)CC1=O 95388848 GAVZLVKAIQWRAG-UHFFFAOYSA-N 376.453 1.892 0 50 GDAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c1 97642571 MBEJGIFJESSHHL-HNNXBMFYSA-N 376.420 1.466 0 50 GDAA O=C(COc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91625442 XYQOHWIEOWWFPF-APWZRJJASA-N 380.460 1.526 0 50 GDAA N[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1CCO 95522243 VZMCOJOQALEMAU-YJBOKZPZSA-N 389.477 1.269 0 50 GDAA COC1(OC)[C@@]2(Cl)[C@@H]3[C@H](O)[C@@H]4[C@@H]5[C@H](O)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@]42Cl 252428287 WTFKURLSHUHKJD-GHDUVETNSA-N 376.063 1.141 0 50 GDAA O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1csc(-c2cnccn2)n1 183048915 ADGZOJVZAZFEBS-CYBMUJFWSA-N 380.433 1.921 0 50 GDAA O=C([C@H]1CC[C@H]2OCCN(C(=O)c3ncc(F)cc3F)[C@@H]2C1)N1CCCC1 1940197763 OOIKFNHUKATTLX-APHBMKBZSA-N 379.407 1.992 0 50 GDAA Cc1ccc([C@@H](CCO)NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)cc1 299782652 GMLLYUZSMPTQSC-QGZVFWFLSA-N 394.468 1.961 0 50 GDAA CN(C)CCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCNCC2)C1=O 299774363 HJBZXTSWIGAOEV-FQEVSTJZSA-N 376.476 1.610 0 50 GDAA OCCOc1ccccc1CN[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 952977815 LBNAZOFLGFIZQC-SDPJGKNGSA-N 393.531 1.715 0 50 GDAA Cc1ccc([C@@H](C(=O)N2CCc3c(C(=O)O)c(O)cc(=O)n3CC2)N(C)C)cc1 952985529 WPBRTXRNKQDMEE-IBGZPJMESA-N 399.447 1.248 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704302865 DPGKQANRIHWGQO-QAPCUYQASA-N 386.477 1.813 0 50 GDAA COCCN1CCC(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1704349112 QBTDHOKMUIQBIG-KNQAVFIVSA-N 397.519 1.955 0 50 GDAA Cc1c(NC(=O)CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cnn1C 1704337428 XPSPUVLZBZSQAO-PXNSSMCTSA-N 386.452 1.047 0 50 GDAA C/C=C/C(=O)NS(=O)(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1 5832117 GXOHHRYFGFWEBA-NSCUHMNNSA-N 395.462 1.065 0 50 GDAA COc1cccc(CNCCCSC)c1OC[C@@H](O)CN1CCOCC1 11842725 FPVOQWIZRJRBBZ-KRWDZBQOSA-N 384.542 1.610 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)=NN1 12184835 OUIABQUXOKMVQL-LBPRGKRZSA-N 390.390 1.798 0 50 GDAA Cc1c(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cnn1C 14744263 HEXLDSMEFGUQMJ-UHFFFAOYSA-N 378.480 1.950 0 50 GDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3cccc(F)c3)C[C@H]12 14755011 ZXKRDWVNQNKTSH-RTBURBONSA-N 383.423 1.285 0 50 GDAA C[C@@H](NC(=O)CCCn1nnnc1CN1CCOCC1)c1ccc(F)cc1 19741505 NPMLTTOHJKVJRQ-CQSZACIVSA-N 376.436 1.302 0 50 GDAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CCCNC(N)=O)C(=O)O 207858291 CMZLOTSJGPZMEQ-LBPRGKRZSA-N 394.428 1.889 0 50 GDAA CCn1nc(-c2nc(-c3c[nH]nc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1C 1857682758 RNRIMGWCZIZRQC-LBPRGKRZSA-N 375.458 1.528 0 50 GDAA COC1(C(=O)NCc2cc(F)ccc2F)CCN(C(=O)c2cncn2C)CC1 1857697070 SZQBWBWORFQMMP-UHFFFAOYSA-N 392.406 1.636 0 50 GDAA CCCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3nnc(COC)s3)C2)no1 1857721336 KLTNJXJVYCAMJO-SNVBAGLBSA-N 394.457 1.032 0 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C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 263299718 GKTFTBRQUACDAV-TZMCWYRMSA-N 375.404 1.718 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 82106717 WQADJWQGUMGIOG-UHFFFAOYSA-N 376.420 1.519 0 50 GDAA CCn1cc(CN(C)C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1 426382784 OMRTZMBDUPVOIE-UHFFFAOYSA-N 382.461 1.775 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cnn(C)c4)C3)CCC2=O)cn1 91350679 LOGNEUJBXHRQPH-FQEVSTJZSA-N 382.468 1.564 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CCCc2cccs2)CN1C1CCOCC1 95506234 YUNKDMPKWKTYBA-PBHICJAKSA-N 379.526 1.555 0 50 GDAA NC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2 239412326 SOHZVDDTMVVBAV-XYHOJCAOSA-N 378.450 1.933 0 50 GDAA CN(Cc1ccon1)C(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O 95503432 SXQRKJMOZWQNGX-UHFFFAOYSA-N 381.436 1.569 0 50 GDAA COCc1nc(O)cc([C@H]2C[C@H](NS(=O)(=O)c3ccc4[nH]cnc4c3)C2)n1 253535320 KNWULPSCWZUJOY-XYPYZODXSA-N 389.437 1.429 0 50 GDAA C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC(=O)N1 297407334 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1.465 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1cnc(NCC(=O)O)nc1)CC2 1857701404 UPTOWWWXENXWFV-UHFFFAOYSA-N 392.463 1.974 0 50 GDAA O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(C(=O)N2CCOc3ccccc3C2)C1 1857704994 NSBRDRAHMFXAFN-DYESRHJHSA-N 382.416 1.789 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCCc3noc(-c4ccccc4)n3)CC2=O)s1 1857712847 IYFWYEKCPYCLLD-ZDUSSCGKSA-N 398.448 1.608 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(O)n1 1857720819 LVVDKPZFVLXKKY-JENIJYKNSA-N 382.464 1.672 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2c(C)ncnc2C)cc1OC 1875247240 HHKOZLBKWTXFTP-HKUYNNGSSA-N 387.436 1.685 0 50 GDAA NC(=O)c1cc2c(nc1N1CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C1)CCC2 210070880 LRCYHJNZLFILGY-PBHICJAKSA-N 381.432 1.753 0 50 GDAA NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 238056874 GKQQLYNPBLYKBK-GXSJLCMTSA-N 391.287 1.626 0 50 GDAA CN1CCC(N(C)C(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)CC1 12759235 XEQAZYSGNIDRBO-FQEVSTJZSA-N 386.540 1.362 0 50 GDAA CC(C)NS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Sc2nccn2C)cc1 253432573 LFWLGTUFYKOZLK-LBPRGKRZSA-N 397.526 1.731 0 50 GDAA O=C1C[C@@H](c2nc(-c3cccc4[nH]ccc34)no2)CN1CCN1CCOCC1 371926558 RJTIMDIATMZZSS-CQSZACIVSA-N 381.436 1.866 0 50 GDAA COc1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)O)c(OC)cc1Br 263492742 PNQVVDYONWGXSG-MRVPVSSYSA-N 396.259 1.808 0 50 GDAA CN(C)C(=O)c1cnc(N2CCCN(Cc3cnn(C)c3)CC2)c(Cl)c1 265194838 LQBOUOMOBXTEQP-UHFFFAOYSA-N 376.892 1.883 0 50 GDAA CN(CCCC(=O)NC[C@H]1c2ccccc2C(=O)N1C)C(=O)c1ccncc1 827443196 IIRQWQBTYSVCCG-SFHVURJKSA-N 380.448 1.877 0 50 GDAA O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 832100762 CNTCLWWFFRHJHZ-GHMZBOCLSA-N 389.930 1.903 0 50 GDAA Cn1ncnc1CN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 864097191 LQUZGRQRXCMMOM-IAGOWNOFSA-N 387.484 1.798 0 50 GDAA O=C1[C@H](NC(=O)N2C[C@H]3C[C@@H]2CO3)CCN1c1cccc(OC(F)(F)F)c1 1875301699 QFLQXXOVRXLTCD-MRVWCRGKSA-N 385.342 1.873 0 50 GDAA Cc1cnn(CCC(=O)NC[C@H](NC(=O)c2cccc3nsnc23)C2CC2)c1 1875354515 HCCWHTLVCADYGQ-INIZCTEOSA-N 398.492 1.911 0 50 GDAA CN1CCN(C(=O)c2cncc(N3CCC[C@H](c4ccc(CO)cc4)C3)n2)CC1 1875328752 LBJGOBZVCFNXTK-IBGZPJMESA-N 395.507 1.741 0 50 GDAA O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402494 HVFNZOICZZXUFD-ATZDWAIDSA-N 398.463 1.345 0 50 GDAA CCc1nn(C)c(-n2nc(C)nc2C)c1NC(=O)N1CCC[C@@H](n2ccnn2)C1 888103173 MLTMAVZXESJCMT-CQSZACIVSA-N 398.475 1.641 0 50 GDAA CN1CCc2ccc(C(=O)N3CC[C@@H](O)[C@@](CO)(Cc4ccccc4)C3)nc21 2100537770 UVPBSMMUDJKVEF-KNQAVFIVSA-N 381.476 1.502 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)N(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2=O)s1 2100543737 XXFBLCORAJYMMH-KHMAMNHCSA-N 392.525 1.851 0 50 GDAA CC(C)(CN(C(=O)[C@H]1[C@H]2COCC[C@H]21)C1CC1)NC(=O)[C@H]1[C@H]2COCC[C@H]21 2325767681 YGCOOGZRQJBJTJ-GVLSGGHMSA-N 376.497 1.437 0 50 GDAA COC(=O)[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cn2nc(C)cc2[nH]c1=O 2325790980 CHCKWHUFIVEPJK-YOEHRIQHSA-N 380.404 1.502 0 50 GDAA CCC(C)(C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)Cn3nc4ccccn4c3=O)[C@H]1C2 2325794370 ZYUKKEXJQOOVNN-BZUAXINKSA-N 399.495 1.428 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 2325888661 OKCLTIDWKMGKBS-KRWDZBQOSA-N 387.455 1.464 0 50 GDAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCOC21CCNCC1 2356139951 NNHDLHDRBVBJML-KBPBESRZSA-N 389.521 1.735 0 50 GDAA O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1C[C@H](O)C[C@@H](O)C1 2356146912 ZWXKOMMMMCEWLB-HZPDHXFCSA-N 375.446 1.228 0 50 GDAA CCC[C@@]1(C(=O)O)CN(S(=O)(=O)c2cccnc2C(F)(F)F)CC[C@@H]1O 2356157387 IFFJGMAYJJVGLM-SMDDNHRTSA-N 396.387 1.727 0 50 GDAA Cn1ccc(=NC(=O)CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)[nH]1 2356162050 VGWHDRONPWTXGN-NRFANRHFSA-N 381.480 1.438 0 50 GDAA Cn1ccnc1[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 248144491 ROAUNIYINZYJKG-JFIYKMOQSA-N 378.432 1.577 0 50 GDAA C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 101990544 AFKMZQVMHRZCOU-ORIJERBGSA-N 394.493 1.917 0 50 GDAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccc(F)cc1 9421555 IXPZEPSVVGKNMN-UHFFFAOYSA-N 384.415 1.934 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CC=C(c2ccccc2)CC1 23129265 BZWJVGYEYIHTMU-UHFFFAOYSA-N 382.468 1.211 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc(N2Cc3ccccc3C2)c1 67946913 XRWLELIDEJMMGB-QUCCMNQESA-N 378.476 1.885 0 50 GDAA CC(C)NC(=S)NN[C@@H]1Nc2sc3c(c2C(=O)N1C)CC(C)(C)OC3 22063969 HBXGWEZKZYUCQW-AWEZNQCLSA-N 383.543 1.758 0 50 GDAA CCc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](c4cnn(C)c4)C3)C2)ncn1 247052880 OPLUGJGODWIFLH-CRAIPNDOSA-N 383.500 1.940 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3cccnc3)C2=O)c1 67872536 FYLLTGLWAZTYQT-OAQYLSRUSA-N 387.455 1.915 0 50 GDAA O=C1CN(Cc2cn(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)nn2)CCN1 23158785 WMVKZCNCWUAOPU-UHFFFAOYSA-N 393.495 1.528 0 50 GDAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cnc[nH]2)C3)cc1 67678570 CHKZVFPSPPAKNC-UHFFFAOYSA-N 395.419 1.754 0 50 GDAA Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccn(CCS(C)(=O)=O)n1 120534678 IEDHGYPCZALFHV-UHFFFAOYSA-N 378.410 1.665 0 50 GDAA Cc1cccc2nc(C(=O)N3CCOC[C@@](O)(CN4CCCC4)C3)c(F)n12 77438399 KYYGUPWJFVCAJP-LJQANCHMSA-N 376.432 1.081 0 50 GDAA CC(C)N(CCCO)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71777164 NCXGYYCTMPTIJJ-MRXNPFEDSA-N 377.485 1.595 0 50 GDAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 363373639 SPDYQHFOLWJKEB-DLBZAZTESA-N 395.463 1.538 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1=O 71753082 PBPVCOWEWLUXSZ-IBGZPJMESA-N 399.539 1.059 0 50 GDAA CCN1CC[C@H](C(=O)NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)C1 71754656 UGWGTFQTAOVUQS-AWEZNQCLSA-N 386.496 1.947 0 50 GDAA C[C@H](CS(C)(=O)=O)NC(=O)c1csc(-c2ccc3c(c2)CCN3C)n1 368928338 DYPGIOLLCKGCPD-LLVKDONJSA-N 379.507 1.965 0 50 GDAA COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3C(N)=O)cs2)cc1OC 32093696 FZVOLOWHOUFLFP-ZDUSSCGKSA-N 375.450 1.846 0 50 GDAA O=C(O)c1ccnc(-c2ccnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)c1 72426217 QKXJTKTWOUDPJU-INIZCTEOSA-N 383.408 1.064 0 50 GDAA CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 333293561 RTTHGZSUBRQSLM-IXDOHACOSA-N 399.557 1.488 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncnc4c3CCC4)CC2)C1 71762122 HIZLGOVNKVFINN-MRXNPFEDSA-N 387.528 1.409 0 50 GDAA CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)no1 333451199 RUGVQHVIEHMPQL-AWEZNQCLSA-N 389.437 1.955 0 50 GDAA COc1ccccc1C(=O)N1CCN(C(=O)c2c3c(nn2C)CCCC3)CC1 77320815 XJHNDEMCBZLALS-UHFFFAOYSA-N 382.464 1.906 0 50 GDAA CS(=O)(=O)NC[C@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 72145813 ZRMCILXJKMCWKR-SFHVURJKSA-N 378.498 1.343 0 50 GDAA CCOc1cccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72419911 GLJVADSEAMZIGA-MSOLQXFVSA-N 378.494 1.419 0 50 GDAA CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cccc(O)n2)CC1 282387376 DIMRFXPWZXNBCB-UHFFFAOYSA-N 382.486 1.054 0 50 GDAA COCCN1CC[C@H](CNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)C1 426511706 PHVPQQYVOALEJO-MRXNPFEDSA-N 383.496 1.908 0 50 GDAA CCOCc1nc(-c2ccncc2)nn1-c1cc(S(N)(=O)=O)ccc1F 96153296 NPUNMRPNFNNQDB-UHFFFAOYSA-N 377.401 1.652 0 50 GDAA O=C1CCC(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)=NN1 95369907 PYZFVMUTKSFZNN-MJXNMMHHSA-N 388.418 1.619 0 50 GDAA O=C(Cc1ccc2ccccc2c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 95377744 AUENKGQRPZPZAQ-NHCUHLMSSA-N 382.504 1.906 0 50 GDAA COCCc1noc([C@@H]2CCCCN2C(=O)CN2C(=O)OC(C)(C)C2=O)n1 95508083 LJITVZLAVCERKB-NSHDSACASA-N 380.401 1.070 0 50 GDAA CCn1c(C)cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1C 91943809 BJBDTEGGTZITLO-CTNGQTDRSA-N 390.572 1.975 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1snnc1CC)CC2 95497648 GKVRQWPRMLKJQC-UHFFFAOYSA-N 388.497 1.750 0 50 GDAA COc1cc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc(Cl)c1OC 95378922 OKOSQDZJXXHWEF-LBPRGKRZSA-N 382.844 1.913 0 50 GDAA CC(C)(CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 179771094 SVXNDHKIEUCSTL-UHFFFAOYSA-N 391.493 1.663 0 50 GDAA CNC(=O)Cc1csc(NC(=O)c2c(C)cc(C)n(CCOC)c2=O)n1 253399287 CTYZXSUGQKXSJR-UHFFFAOYSA-N 378.454 1.109 0 50 GDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 299751801 RWBRNFNZQMJHHA-RDBSUJKOSA-N 377.441 1.485 0 50 GDAA O=C(c1cccc(-c2nccc(N3CCC(O)CC3)n2)c1)N1CCCNCC1 534656084 LNDRFRBMDWBUOB-UHFFFAOYSA-N 381.480 1.540 0 50 GDAA CSCC[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)n1cccc1 263588433 UELGQVNHDLWJOV-CQSZACIVSA-N 391.584 1.277 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2ccncc2C)cc1OC 1940197346 JEWBVYISIPRPCA-MOPGFXCFSA-N 385.420 1.280 0 50 GDAA Cc1ccccc1NC(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1 299791587 FOMIQKQDCYRPAP-UHFFFAOYSA-N 382.486 1.112 0 50 GDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cc[nH]n2)CC1 299802781 PPFISXDHSZJFMO-LJQANCHMSA-N 388.443 1.820 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCC(CNC(=O)[C@H]3CCCO3)CC2)nc(O)n1 821446045 KVVUCLXQADBAAA-QGZVFWFLSA-N 390.484 1.528 0 50 GDAA Cn1cc(CCC(=O)N2CCOC3(CCN([C@@H]4CCSC4)CC3)C2)cn1 827969462 ICFLZBURKBXQLK-QGZVFWFLSA-N 378.542 1.552 0 50 GDAA Cc1cn2nc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2c(=O)[nH]1 1347054605 BDLCDWOVKLAAGH-RYRKJORJSA-N 378.432 1.976 0 50 GDAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cccc(F)c3)cc2)C1 952975036 DBJKSXLGKSDBRH-GOSISDBHSA-N 392.452 1.883 0 50 GDAA COCc1cccc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)c1 1565528457 UKVXNJDKKFQIOI-ROUUACIJSA-N 375.494 1.963 0 50 GDAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)(C)CCC(=O)O)C2=O)cc1 269183393 MARGHDUMTRMXLT-LJQANCHMSA-N 375.425 1.522 0 50 GDAA O=C([C@H]1CSCN1C(=O)C1CCCC1)N1CCC[C@](O)(C(F)(F)F)C1 408304926 FMAHMNSNQRXVKS-IUODEOHRSA-N 380.432 1.994 0 50 GDAA CCOC(=O)c1cnc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1C 170610456 HUEPDUQOFFTCTM-UHFFFAOYSA-N 383.408 1.714 0 50 GDAA O=C1CO[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@@H](c2ccccc2Cl)N1 1529167756 OCPPLOJGWUAJRN-MSOLQXFVSA-N 377.872 1.450 0 50 GDAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529115179 YWVFPLUZZMEYHJ-ROUUACIJSA-N 392.525 1.173 0 50 GDAA CCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ncc(F)cc3F)CC2)[C@H]1O 1704313589 RCEHVRAYYOSPNZ-ZWKOTPCHSA-N 397.422 1.401 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC(=O)N2CCCC2)ccc1F 1704331675 RUXUMXBRLMVVSD-UHFFFAOYSA-N 390.415 1.908 0 50 GDAA CCc1ccc(CN2C[C@H]3CN(c4nc(=N)nc5[nH][nH]cc4-5)C[C@@]3(CO)C2)s1 1772811584 WCRFGPCONVBULF-HXPMCKFVSA-N 399.524 1.272 0 50 GDAA CS(=O)(=O)N1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@]2(CCc2ccccc2)C1 1775978958 RHGDDQIVTBOJHY-MJGOQNOKSA-N 388.493 1.376 0 50 GDAA CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1nnnc1CN1CCCC1 11717106 RAJZCTSTKCPHBT-UHFFFAOYSA-N 375.502 1.263 0 50 GDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)c3ccccc3F)C2)nn1 12219152 LXQZVLSHJIIJEC-CYBMUJFWSA-N 375.404 1.271 0 50 GDAA O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19907450 PLABTXQCACVQGC-FQEVSTJZSA-N 382.416 1.900 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cccc(-c4ncc[nH]4)c3)C[C@H]2CO1 1857681541 MUPUFPOOCMIWPG-BZSNNMDCSA-N 397.479 1.127 0 50 GDAA O=C(CNC1CC1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857701357 PMAVSRLNXSMJKB-NRFANRHFSA-N 379.464 1.803 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCc3cn[nH]c3)cc12 1857704081 CRPXVSFKSKVJDN-UHFFFAOYSA-N 388.493 1.854 0 50 GDAA NC(=O)c1ccc(-c2nc([C@H]3CC[C@@H](O)[C@H](N)C3)n(CC(F)(F)F)n2)cc1 1857717558 YPGSJHHEPBAMCT-YNEHKIRRSA-N 383.374 1.562 0 50 GDAA NC(=O)CN1CCC2(CC1)CN(CCCOc1ccccc1)C(=O)CCO2 1857737048 UYXVIKHCRNDLRA-UHFFFAOYSA-N 375.469 1.024 0 50 GDAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1857737290 GFDHBFCGHIIAJT-WFXMFSGNSA-N 378.469 1.925 0 50 GDAA Cc1cccc(N2C[C@@H]3[C@H](CNC(=O)CN4CCCCC4)[C@H]4CC[C@]3(C2)O4)n1 1875248493 UIAKUEDXZNVBGG-JZJXAQOMSA-N 384.524 1.976 0 50 GDAA CN1CCN(c2cc(C(=O)N3CCC[C@H](c4ccnc(N)n4)C3)ccn2)CC1 376010901 VMTZPSFNVMHDNU-INIZCTEOSA-N 381.484 1.225 0 50 GDAA O=C(c1cncc(O)c1)N1CCN(C(=O)c2cccc3cnsc23)C[C@@H](O)C1 1875331373 XKABMPVTQFHGPH-HNNXBMFYSA-N 398.444 1.356 0 50 GDAA O=C(NCc1ncccc1Cl)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100556134 DHKCTSZFOFOIIY-MSOLQXFVSA-N 386.839 1.877 0 50 GDAA O=C(NC1CC1)C1CCN(Cn2nc3cc(C(F)(F)F)ccn3c2=O)CC1 2325771118 XBJCISMAOHXOPP-UHFFFAOYSA-N 383.374 1.463 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)CC2)c1 2325885789 VRLVPYBSQJDVJE-KRWDZBQOSA-N 391.493 1.841 0 50 GDAA CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccsc1C=O 2325899515 IRHFBLYGYLODEB-UHFFFAOYSA-N 378.431 1.477 0 50 GDAA CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)C1=O 912312844 FXZIGBKYTWUHIN-DEPCRRQNSA-N 383.492 1.213 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc4ncnn34)C1)CC2 2356143056 SRRVEURFTFQHGI-HXUWFJFHSA-N 377.452 1.706 0 50 GDAA COc1cc(S(=O)(=O)N2CCC(CN(C)C)(OC)CC2)c(OC)cc1C 2356159021 IOXZJXMZFUKGHY-UHFFFAOYSA-N 386.514 1.744 0 50 GDAA Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1 3015578 WWWVAAZGGKXTBS-UHFFFAOYSA-N 391.431 1.867 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cc1 6492205 TYUGZNFMPYOVJO-OAHLLOKOSA-N 389.477 1.807 0 50 GDAA CC[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C[C@@]2(CCOC2)O1 225441018 SQAPBILJNRBCLH-OXJNMPFZSA-N 387.411 1.782 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 9829441 WIAXZQBBVHKRDI-UHFFFAOYSA-N 387.440 1.526 0 50 GDAA O=C(NCCN1CCOCC1)[C@H]1CC(c2cccc(Br)c2)=NO1 20436826 NFQPGJNUBJRVDC-OAHLLOKOSA-N 382.258 1.391 0 50 GDAA COc1ccc(CNCC(C)(C)OC)cc1OC[C@H](O)CN1CCN(C)CC1 20540265 XMWSFJSQNSPPQA-GOSISDBHSA-N 395.544 1.197 0 50 GDAA O=C(Cc1nnc(O)c2ccccc12)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1436986593 GKKROOUEDBNSRX-LBPRGKRZSA-N 399.428 1.229 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3n[nH]cc3Cl)CC2)C1 71388811 ZIQVDORZLXDHQG-ZDUSSCGKSA-N 397.907 1.142 0 50 GDAA C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1 121747456 NRKGJFHBUOYUAX-KRWDZBQOSA-N 396.495 1.906 0 50 GDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3Cn3cncn3)cc21 363643828 VQUQZZRJLBQFDA-OAHLLOKOSA-N 375.454 1.040 0 50 GDAA CNC(=O)Cn1nc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C 72476139 HVCKLIXFBGNIOE-AWEZNQCLSA-N 380.452 1.834 0 50 GDAA C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C 282470636 MJPDYYZOJYKVTC-JSGCOSHPSA-N 381.477 1.633 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)ccc21 174025471 KRRIEPKWEDOQTG-HNNXBMFYSA-N 380.452 1.654 0 50 GDAA Cc1cnccc1N1CCCN(C(=O)Cn2ccc([C@H]3CCCNC3)n2)CC1 426685482 YFAVJDAFZYCWGH-SFHVURJKSA-N 382.512 1.792 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnc3c(c2)CCC3)o1 426395930 INLALURTDITWFF-LJQANCHMSA-N 382.464 1.479 0 50 GDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c1 285726436 GAMSIAYZYBRNHI-QGZVFWFLSA-N 387.505 1.641 0 50 GDAA Cc1ncc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cn1 82087411 KHLBGUFUEMSOJX-LJQANCHMSA-N 387.528 1.320 0 50 GDAA O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@H](n2cncn2)C1 289831785 AQXLNKVHILTVJG-KRWDZBQOSA-N 399.476 1.573 0 50 GDAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O 290280874 YATZNGBQPYMYGG-SXLOBPIMSA-N 385.508 1.919 0 50 GDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCCCn3nnnc31)CC2 96141272 OELDFNUQKWYIHE-HNNXBMFYSA-N 398.515 1.450 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCn3cnnc3)csc2C1 426606670 AMUKMNSWOFSKBD-UHFFFAOYSA-N 386.481 1.933 0 50 GDAA CS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CC1 96152521 FDPFVXLBXVSFLJ-UHFFFAOYSA-N 384.849 1.030 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 95366362 NMMBGKDAGKFUQR-ZDUSSCGKSA-N 380.391 1.822 0 50 GDAA CCC[C@H]1C=CCN1C(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 97743047 HPGFASXZTKIEBI-KRWDZBQOSA-N 377.510 1.851 0 50 GDAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1 95355189 MXAQYPNHXFGFRP-OAHLLOKOSA-N 377.491 1.795 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3ccccc3n(C)c2=O)c1O 253623979 XIMAYVYDBHIHFE-LLVKDONJSA-N 397.387 1.139 0 50 GDAA biogenic O=C([C@H]1CC[C@H]2OCCN(C(=O)CCn3cnnc3)[C@@H]2C1)N1CCCCC1 1940195594 ZWNSACHTBNCOPW-GVDBMIGSSA-N 375.473 1.077 0 50 GDAA O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659779675 LDDVCQALTMYNCB-KZULUSFZSA-N 379.434 1.500 0 50 GDAA O=C(CCCn1cncn1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 777218609 DBULWXWPIYQTKW-UHFFFAOYSA-N 375.380 1.277 0 50 GDAA CCc1ccc(CN2CCN(C(=O)C3CCC3)[C@H]3CS(=O)(=O)C[C@H]32)nc1 1565513094 CELWNVWKZRDLBD-MSOLQXFVSA-N 377.510 1.254 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565530553 WVBJJXXKLRDASM-ROUUACIJSA-N 394.431 1.534 0 50 GDAA COc1cc(OC)c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC 169918633 QYLFJYZUYYFILY-NSHDSACASA-N 394.449 1.851 0 50 GDAA CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 170598133 PHWKTYAFRRLLBK-MRXNPFEDSA-N 375.517 1.892 0 50 GDAA CC(C)n1cnc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 170609172 GQULODKZNGJBDV-OAHLLOKOSA-N 381.479 1.970 0 50 GDAA COc1cc(N2CCC(CNC(=O)c3cnn(C(C)C)c3)CC2)nc(OC)n1 1506398233 XPLHHHBKMKTMCM-UHFFFAOYSA-N 388.472 1.918 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H](O)C3)CC2)cc1Cl 1506410177 DSUHASDUUWOSCH-AWEZNQCLSA-N 388.917 1.958 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N[C@H]2CCCNC2=O)cc1 1704330247 HJRNLJIZMJWJPV-HNNXBMFYSA-N 384.436 1.959 0 50 GDAA COc1ccccc1-c1noc(CCCC(=O)N2CCOC[C@@H](C(=O)O)C2)n1 1772813244 YLPAZTBJNMNRJX-ZDUSSCGKSA-N 389.408 1.628 0 50 GDAA CN1CCC(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@H]2CCCO2)CC1 11664711 DWWMPORLOPAEAG-QGZVFWFLSA-N 384.546 1.239 0 50 GDAA CSCC(=O)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 11946180 HSINJCKEFYFPIL-UHFFFAOYSA-N 378.494 1.892 0 50 GDAA CCn1ccnc1CN1CCCC[C@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 12446839 HUYGDPGGIHWCRO-KRWDZBQOSA-N 380.456 1.872 0 50 GDAA COc1cc(CN2CCC[C@H](C(N)=O)C2)cc(I)c1O 16663102 WVCRFHRSSQHVRG-JTQLQIEISA-N 390.221 1.703 0 50 GDAA CC[C@H](CO)NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 18286079 JTRDNGGMBQVVIO-CQSZACIVSA-N 387.461 1.948 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccccc21 169748869 RYRBBBHAGMDTKM-QGZVFWFLSA-N 376.416 1.898 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCn1ccc(O)nc1=O)CC2 1857674227 YZNKORJLXATCSS-UHFFFAOYSA-N 393.447 1.367 0 50 GDAA Cc1nc[nH]c1CN1CCC[C@@]2(C(=O)NCCCn3ccnc3)CCN(C)C[C@H]12 1857688408 HWHAKASMVVWWCX-PZJWPPBQSA-N 399.543 1.407 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698181 GXGMZUDVQGNREP-SFHVURJKSA-N 389.481 1.330 0 50 GDAA COc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1 1857726575 XUKRUVKFNOVGHP-ROUUACIJSA-N 394.497 1.121 0 50 GDAA Cc1cc(C)cc(CC(=O)NC[C@H]2[C@H]3CN(CCC(=O)O)C[C@]34CC[C@H]2O4)c1 1857726609 ZSBBSHBYFIUSLJ-JZJXAQOMSA-N 386.492 1.916 0 50 GDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 100492388 CEIJFEGBUDEYSX-XLAORIBOSA-N 383.496 1.410 0 50 GDAA in-vitro Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4019385 OFNGOXQUIJIFFT-UHFFFAOYSA-N 397.478 1.145 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)CCO2)cn1 328626100 LIYUZODNTLNIHP-INIZCTEOSA-N 377.422 1.336 0 50 GDAA CN1CC[C@@H](c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)S1(=O)=O 351344125 WYOMLRHDXURSQZ-VIFPVBQESA-N 378.332 1.779 0 50 GDAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C3CCCC3)cc1)C2 1875396020 SRKFWTGGEXUQFH-KRWDZBQOSA-N 390.505 1.720 0 50 GDAA O=C(NCCCCO)c1ccc(Cn2cc(-c3ccc(C(=O)O)nc3)nn2)cc1 1875355277 FZZANKLYHYBAIS-UHFFFAOYSA-N 395.419 1.589 0 50 GDAA Cc1nc(C(=O)N2CC[C@@H]3CN(C(=O)c4n[nH]c(C)c4Cl)C[C@@H]3C2)n[nH]1 1875322431 SOJBFIICTYPYPV-MNOVXSKESA-N 377.836 1.032 0 50 GDAA Cc1cc(N2CCNC2=O)ccc1NC(=O)CCc1cccc2c1B(O)OC2 1776002934 NIAVQKMNZJFYQQ-UHFFFAOYSA-N 379.225 1.314 0 50 GDAA COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1-n1cnnn1 4511947 CLQALZHTXRUURS-UHFFFAOYSA-N 375.410 1.028 0 50 GDAA O=C1CCCc2cc(Cl)c(S(=O)(=O)N3[C@H]4CC[C@H]3C(=O)NC4)cc2N1 2325789149 XIEOCMZDLGNFFA-GWCFXTLKSA-N 383.857 1.266 0 50 GDAA CCOC(=O)c1cnn(C[C@@H](O)CN[C@H](CO)c2c(C)cc(C)cc2C)c1 2325804111 VLRRGTOSDKQVQO-ZWKOTPCHSA-N 375.469 1.669 0 50 GDAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1cc(-c2nn[nH]n2)ccn1 2325807926 JLHOOKCNGPTRSO-QGZVFWFLSA-N 377.452 1.932 0 50 GDAA CCc1nn(C)c(CC)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H](C)CCO1 2325829854 UPZOTZGLEQXNQC-XSWJXKHESA-N 388.512 1.785 0 50 GDAA COC(=O)C[C@H](NC(=O)NS(=O)(=O)c1ccc(OC(F)F)cc1)C(C)C 2325841421 UBRNKGYCPLLKMY-LBPRGKRZSA-N 394.396 1.864 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 51205899 KFLAQPJYAZKUOO-GOSISDBHSA-N 385.443 1.338 0 50 GDAA COc1ccc(C(=O)N[C@@H](c2nnc(SCC(N)=O)n2C)C(C)C)cc1 8784140 SWTNXPWESDKZEK-CQSZACIVSA-N 377.470 1.528 0 50 GDAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 104313600 RAFNPBWVCMXROC-HXXCKNJQSA-N 379.412 1.856 0 50 GDAA O=C([C@H]1CCCO1)N1CCN(c2ncc3c(n2)CCN3c2ccccc2)CC1 65386179 CGMUVSCWXKISOU-LJQANCHMSA-N 379.464 1.998 0 50 GDAA CC[C@H](C(=O)NCc1ccncc1)N(c1ccc(OC)cc1)S(C)(=O)=O 65364058 AIPWOFYGLWIRDJ-QGZVFWFLSA-N 377.466 1.951 0 50 GDAA O=C1N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCN1CCCC1 67434428 UOUNDOMRZWLVJL-NRFANRHFSA-N 388.487 1.754 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3ccnc(SC)n3)CC2)C1 71771531 CMYSPPOUIXKHIO-HNNXBMFYSA-N 393.557 1.642 0 50 GDAA O=C(NCCc1cscn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71552023 RRIZMMFKHMJVDY-INIZCTEOSA-N 390.553 1.915 0 50 GDAA O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1CCN(Cc2ccccn2)CC1 119919273 ORYXQEFUCHGMJQ-LJQANCHMSA-N 394.475 1.736 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3noc(C4CC4)n3)CC2)C1 71497546 BPBVAWJTGWZUFI-MRXNPFEDSA-N 391.516 1.386 0 50 GDAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@H](C)Cn2cncn2)C1 77470496 SRAUGVGXRFUTRE-CYBMUJFWSA-N 378.440 1.535 0 50 GDAA CC1=C[C@@H]2C(=O)NC(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)=N[C@H]2S1 71376051 DMUWYMHWFJDEFO-HWPZZCPQSA-N 387.490 1.778 0 50 GDAA O=C(O)c1ccnc(-c2ccnc(NCCS(=O)(=O)N3CCCC3)n2)c1 72463240 BTRTVNKMUVWHFP-UHFFFAOYSA-N 377.426 1.074 0 50 GDAA C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77358479 NQXVEYROJQOCAF-GFCCVEGCSA-N 394.522 1.196 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(O)=N3)n1 328639283 WWCANPZCUNLPPU-IINYFYTJSA-N 392.437 1.754 0 50 GDAA CCCOc1cccnc1C(=O)NCC(=O)Nc1cccc2c(O)nnc(O)c12 430662183 JGPHOGZGNZYSSL-UHFFFAOYSA-N 397.391 1.593 0 50 GDAA CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 363571919 WUDHPMOBPOBJNP-AZNNDXHDSA-N 398.459 1.911 0 50 GDAA COc1cc(F)c(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1OC 363788599 LDUIUOUUQMFSOK-OAHLLOKOSA-N 394.447 1.613 0 50 GDAA Cc1cccc(F)c1-n1nc(C(=O)N[C@H]2CCC(=O)N(C)C2=O)c2c1CCC2 333527906 XMLJCQCPMOLBTE-AWEZNQCLSA-N 384.411 1.686 0 50 GDAA Cn1cc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)cn1 173678130 WLHWVWXICGUEGP-QGZVFWFLSA-N 399.470 1.760 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)C[C@H]1NS(C)(=O)=O 82092384 IBGZHXSIQSHKEU-GOEBONIOSA-N 377.466 1.987 0 50 GDAA COc1ccc(C2(C(=O)N3CCNC(=O)[C@@H]3CC(=O)O)CCCC2)cc1OC 426746088 LKAWJXQHTBIIQL-AWEZNQCLSA-N 390.436 1.317 0 50 GDAA Cc1noc(C)c1CN(C)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 95529292 MPQDSWHYJYHIMU-LJQANCHMSA-N 389.496 1.995 0 50 GDAA COCC(=O)N1CCC2(CCN(Cc3ccc(OC)cc3)CC2)[C@H](CO)C1 97370400 WNKJVILHMHGICV-SFHVURJKSA-N 376.497 1.765 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)Cn3nc4ccccc4n3)C2)CCC1=O 91475166 VGAKAQVLFLPKGE-HXUWFJFHSA-N 385.468 1.309 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)n(CC)c1=O)CC2 92099483 YYMFKGVDTIPSBK-UHFFFAOYSA-N 383.496 1.909 0 50 GDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1CC(C)(C)OC1(C)C 180539738 XYJRXOBOQFJWDC-HNNXBMFYSA-N 387.484 1.840 0 50 GDAA NC(=O)COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 299195679 IPAKMHNGINFDBK-GOSISDBHSA-N 381.432 1.723 0 50 GDAA CC(C)c1ccnc(N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)n1 183943697 YEMVJITVIBIRLA-UHFFFAOYSA-N 395.511 1.955 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1ccc2c(c1)OCO2 266338009 LPQWFIFWSYUSPP-AWEZNQCLSA-N 391.449 1.769 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2csc(C)n2)o1 71440033 BAUKOJVETSCWMY-INIZCTEOSA-N 376.482 1.702 0 50 GDAA O=C1C[C@@H](Cc2ccc(S(=O)(=O)N3CCNCC3)cc2)CN1c1ccccc1 299776438 KTLRADOCJKECTR-GOSISDBHSA-N 399.516 1.876 0 50 GDAA Cn1cccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299784499 IQXMBZYXFIFAKI-SFHVURJKSA-N 388.512 1.104 0 50 GDAA O=C(COc1ccccc1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670471233 FRQFTYFCSFJDEJ-PDGCRQIGSA-N 377.488 1.749 0 50 GDAA O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1ccc(-c2cc[nH]n2)cc1 1565507261 BOLAQJAFSAWXJC-PMACEKPBSA-N 377.448 1.837 0 50 GDAA CCC(C)(C)NC(=O)CN1C[C@H]2c3ccc(OC)cc3OC[C@@]2(C(=O)O)C1 1565510308 LAHNVGWSNIMDLH-YWZLYKJASA-N 376.453 1.863 0 50 GDAA COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@@H](c2n[nH]c(C)n2)C1 268462081 LBVLVTZOFXMAFV-HUUCEWRRSA-N 376.457 1.750 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1 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O=C(Nc1cnc2sccn2c1=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 2100473702 TVMPJZLDJCCZET-ZDUSSCGKSA-N 376.438 1.112 0 50 GDAA Cc1ccc(-c2nc(N[C@@H]3CCC(=O)NC3=O)cc(N3CCOCC3)n2)cc1 1857797737 IFGQXWAVCPNKFY-OAHLLOKOSA-N 381.436 1.506 0 50 GDAA CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC2(CCSCC2)C1 2325785169 HBCIZNYWHIARLN-XJKSGUPXSA-N 377.514 1.761 0 50 GDAA CCS(=O)(=O)N1CCC[C@H]1CN1C(=O)CCN(C[C@H]2CC23CCC3)C1=O 2325793325 QAKJLOFAXKRBMD-CABCVRRESA-N 383.514 1.645 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cncc3c(O)nccc23)c1 2325863107 VZVLBZIDLDHOEK-UHFFFAOYSA-N 394.391 1.585 0 50 GDAA O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 837467 SLIJNYQMZVFGEH-UHFFFAOYSA-N 384.841 1.884 0 50 GDAA Cn1cc(C(=O)N2CC[C@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)ccc1=O 2356155945 OPCYNEVIDVZSKG-PGRDOPGGSA-N 398.459 1.686 0 50 GDAA O=C(CCc1nc(-c2ccncc2)no1)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356163544 IERQFLUVGCADTC-UWJYYQICSA-N 394.431 1.545 0 50 GDAA COc1cc2nc(N3C[C@H]4[C@@H](CN(C)C)[C@@H]5CC[C@@]4(C3)O5)[nH]c(=N)c2cc1OC 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CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cnc4onc(CC)c4c3)C2)n1 328611831 MUQFOKRKHUZEBY-MRXNPFEDSA-N 393.425 1.013 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1)C1CCSCC1 215806310 WKGSMCJCMHGFBU-CQSZACIVSA-N 383.539 1.294 0 50 GDAA CCn1nccc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71551971 BNNHNVCTHQPYSP-KRWDZBQOSA-N 387.528 1.842 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77456216 UVJUUIKQNQTWNZ-NRFANRHFSA-N 385.464 1.949 0 50 GDAA Cc1ocnc1C(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 71278840 CSEXIRMDQUANOP-UHFFFAOYSA-N 381.436 1.962 0 50 GDAA C[C@@H](NC(=O)CN1CCC[C@H](c2nnc3ccccn23)C1)C(=O)N1CCCCC1 155794334 MJSBUJIIRXEDMP-SJORKVTESA-N 398.511 1.426 0 50 GDAA CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(C)(C)c1cc(C(F)(F)F)on1 490477952 RLKCGQGVENRUPG-SECBINFHSA-N 399.391 1.790 0 50 GDAA CN(CCO)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71552265 KUSLWECFDCDGTC-FQEVSTJZSA-N 385.552 1.781 0 50 GDAA Cc1c(C(=O)N2CC[C@@H](N3CCNCC3)C2)nnn1-c1cccc2cccnc12 262104362 TYLLBSQOAVUODT-QGZVFWFLSA-N 391.479 1.244 0 50 GDAA CCN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 72144604 LVFDGVKKDZRPFN-IBGZPJMESA-N 395.507 1.127 0 50 GDAA O=C(COc1ccccc1Cl)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72453681 JBCACVYWXHUKDB-CVEARBPZSA-N 398.912 1.439 0 50 GDAA O=C(NC1CCN(c2cnccn2)CC1)[C@@H](Cc1ccccc1)n1cnnn1 426739138 YCBGTBHWDMWDHH-QGZVFWFLSA-N 378.440 1.032 0 50 GDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1C)c(=O)n2C 20418824 VVYLOQIALRJRGO-UHFFFAOYSA-N 396.403 1.137 0 50 GDAA Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 20454614 HXPJIJSDCAAFLL-HXUWFJFHSA-N 397.523 1.521 0 50 GDAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccccc1-n1cnnc1 426504441 FYYHEKBERMNDAI-IBGZPJMESA-N 378.436 1.466 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CC(c3ccncc3)C2)c1 426739619 DZPSRTREEXOJNS-FQEVSTJZSA-N 378.476 1.707 0 50 GDAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c(F)cc1F 175793627 ZNNRKCZRBJQEJI-HNNXBMFYSA-N 388.436 1.675 0 50 GDAA Cn1cc([C@@H](NC(=O)c2cnc(CN3CCCC3)s2)[C@H]2C[C@H](O)C2)cn1 223786076 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OJXAWSNPSZGSFZ-ZDUSSCGKSA-N 398.448 1.608 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)CC2 1857673058 MQKXUBUWXDMZJA-QGZVFWFLSA-N 395.507 1.212 0 50 GDAA O=S1(=O)CC[C@@H](CCS(=O)(=O)NCc2ccccc2-n2cccn2)C1 1857693728 KCMSSZLCTGBUEE-AWEZNQCLSA-N 383.495 1.117 0 50 GDAA Cc1cccc(CN2CCOC3(CCN(C[C@H]4CNC(=O)C4)CC3)CC2=O)n1 1857704132 FMYQYKYRJZHDIY-QGZVFWFLSA-N 386.496 1.110 0 50 GDAA Cc1[nH]ccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857714960 UTJGROOEZLQHSV-UHFFFAOYSA-N 397.479 1.776 0 50 GDAA Cc1ccccc1CCC(=O)NC[C@H]1[C@H]2CN(S(C)(=O)=O)C[C@]23CC[C@H]1O3 1857738534 MJKJQFRHDPAXLW-JRBPQWBISA-N 392.521 1.483 0 50 GDAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 253606895 FKFAPTCYSZLBTC-PWSUYJOCSA-N 377.495 1.820 0 50 GDAA C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)[C@@H](O)c1ccccc1)C2=O 809204782 AQGNCKPGQPVNRV-TZRWPXCGSA-N 387.480 1.971 0 50 GDAA Cc1cc(C)nc(-n2[nH]c(=NC(=O)C(=O)N[C@H](C)c3cnccc3C)cc2C)n1 1875256015 NJBMDSIZADDXQR-OAHLLOKOSA-N 393.451 1.529 0 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CTMCTFHPMHDWJD-UHFFFAOYSA-N 388.445 1.766 0 50 GDAA CCOC(=O)[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 4211246 NRKUEHDGHMUQEY-BONVTDFDSA-N 376.365 1.538 0 50 GDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 112030429 SBLMQTDPAYSRRG-GJZGRUSLSA-N 397.397 1.818 0 50 GDAA Cc1nc(C)c(CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c(=O)[nH]1 114415286 AYIPGGLLUKKNFG-UHFFFAOYSA-N 398.511 1.125 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 134699304 VRGFQZIUQIECJV-IBGZPJMESA-N 396.495 1.591 0 50 GDAA COCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 2072031 JDCSXZBBBFZZDM-UHFFFAOYSA-N 392.477 1.962 0 50 GDAA O=C(NCCCO)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71759459 RYBZKDHKUAIISI-HXUWFJFHSA-N 385.552 1.829 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)nnn1Cc1ccc(F)cc1F 252503698 VFSUUKBQFMGGIB-MRXNPFEDSA-N 389.406 1.796 0 50 GDAA CC1(C)C(C(=O)N2C[C@@H](C(=O)O)C[C@H](C(=O)NCc3cccnc3)C2)C1(C)C 72139022 KQICOSPPUSEVPB-GJZGRUSLSA-N 387.480 1.929 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)OC)cc1 253420767 DGAOSFLQMUJVQA-JKSUJKDBSA-N 382.482 1.533 0 50 GDAA Cc1nc(N)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 219413017 XGBVPKNPBHIQJK-CHWSQXEVSA-N 376.438 1.099 0 50 GDAA Cc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 71754288 ZTZYRJBHPSWZJB-GOSISDBHSA-N 386.544 1.240 0 50 GDAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCO[C@@H](C(F)(F)F)C1 71551740 JHYHIYRSKWGOPL-LLVKDONJSA-N 398.428 1.936 0 50 GDAA CCc1noc(C)c1C(=O)N1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72426797 VSVUTXCAZIPGGD-CVEARBPZSA-N 381.498 1.435 0 50 GDAA COc1ncccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71765163 DMCROLMFZZWPHP-OAHLLOKOSA-N 386.496 1.685 0 50 GDAA COc1ccccc1N1CCN([C@H]2CN(C(=O)CCC(C)C)C[C@@H]2O)CC1 71523852 ZKUPWAWPGVSXNU-OALUTQOASA-N 375.513 1.825 0 50 GDAA COc1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)c(OC)c1 40267311 COPDYXDVWHIHCY-UHFFFAOYSA-N 383.408 1.702 0 50 GDAA C[C@@H](NC(=O)N1CCN(Cc2nc[nH]n2)CC1)c1ccccc1-n1cccn1 426550106 WZLBXESNFKMELG-OAHLLOKOSA-N 380.456 1.579 0 50 GDAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)c2ccc4nc(O)nc(O)c4c2)[C@H]31 285242727 GSLMMFOWOCMWFU-IOJWWUGISA-N 377.422 1.085 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C(=O)NC)c2ccccc2)cc1 223357770 KYURECCWVDTTIB-MRXNPFEDSA-N 375.450 1.665 0 50 GDAA CN(C)c1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ncn1 91364937 APBZBFIXXFYZBG-UHFFFAOYSA-N 381.484 1.556 0 50 GDAA CCOC[C@@H](O)CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 92081133 MULBRXLHJUXIKA-XACAWQSSSA-N 375.469 1.365 0 50 GDAA O=C(N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C12CNCC1CNC2 96136284 BGYWPPKOFPJRBB-UHFFFAOYSA-N 383.323 1.447 0 50 GDAA COCC(=O)N1CCC(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)CC1 95517113 APFBNUNCIZUOND-HNNXBMFYSA-N 377.460 1.653 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc(S(N)(=O)=O)c1C 95525981 PHGFYVBLMGWJAX-AWEZNQCLSA-N 376.482 1.704 0 50 GDAA Cc1cccc2cc(CO)c(N3CCC4(CC3)[C@H](C(=O)O)CC(=O)N4C)nc12 95367478 OPNWMTZOKZGYIS-INIZCTEOSA-N 383.448 1.937 0 50 GDAA Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2)o1 97743663 NWXAPVYUTVTSPH-MRXNPFEDSA-N 378.450 1.645 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)N4CC[C@@H](CN)C4)cnc32)c(OC)c1 178550579 PMJXEMZQMSNEJJ-AWEZNQCLSA-N 395.463 1.918 0 50 GDAA O=C(c1ccc(F)cc1F)N1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96148508 AZNZANRGMWJINW-CWTRNNRKSA-N 380.391 1.602 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)o1 97480565 MCIHHCUNARGCNI-CQSZACIVSA-N 378.450 1.833 0 50 GDAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1 292312510 IHPWURNDOKUKGL-NOCIGQNYSA-N 390.484 1.425 0 50 GDAA Cc1[nH][nH]c(=O)c1CC(=O)N1CCc2[nH]c(-c3ccc(C(=O)O)cc3)nc2C1 252478212 AFNYNBLKWCLKDZ-UHFFFAOYSA-N 381.392 1.227 0 50 GDAA CCc1nc(COc2ccc(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)cc2)no1 181247038 YQCKFBTUIZPGKH-CYBMUJFWSA-N 384.436 1.952 0 50 GDAA Cn1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 296185103 VLDZYBBDVZUVMN-AWEZNQCLSA-N 377.470 1.257 0 50 GDAA COc1cc(NC(=O)NCc2n[nH]c3c2CCCCC3)cc(-n2cnnn2)c1 299790726 CTCRULUXPVCZFO-UHFFFAOYSA-N 382.428 1.985 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828013058 MENYKECEVOJYPQ-CQSZACIVSA-N 396.407 1.055 0 50 GDAA Nc1nc(CCC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cs1 828005500 FQALTQVDPXCKSY-QOSBUDKSSA-N 397.548 1.342 0 50 GDAA COC1(c2nccn2C)CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 1347214067 ZPMYFNKMNUQBSZ-INIZCTEOSA-N 384.436 1.535 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@@H](C)N1CCOCC1 952991276 WKIZKPFARYEXGC-MRXNPFEDSA-N 378.498 1.522 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCC(N3CCC(C(=O)O)CC3)CC2)nc(N)n1 952991169 ZUAKZLKEQLFSPL-UHFFFAOYSA-N 389.500 1.659 0 50 GDAA O=C1CC2(CCN(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)CC2)CN1 267964322 DGVGJYHLMXRREF-AWEZNQCLSA-N 390.871 1.757 0 50 GDAA Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 952972702 DTVSTIHZQOKFLX-INIZCTEOSA-N 377.441 1.999 0 50 GDAA Cn1ccnc(N2CCC[C@@H](NCc3cnn(Cc4ccccc4)c3)C2)c1=O 275598071 QGBSEHHUZOJJOY-LJQANCHMSA-N 378.480 1.784 0 50 GDAA COc1cccc(-n2cc(CNc3nc4c(c(O)nc(=O)n4C)n3C)cn2)c1 1529105495 DERNFMOLTJMFRS-UHFFFAOYSA-N 381.396 1.179 0 50 GDAA CN(C)C[C@@]12CN(C(=O)Cc3ccccn3)C[C@H]1CN(C(=O)c1cnsc1)C2 1772709469 KOUYOENFFGOJQK-JXFKEZNVSA-N 399.520 1.243 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCSCC2)cc1C 15064459 PASWCZVAHVYVSM-MRXNPFEDSA-N 377.510 1.270 0 50 GDAA Cc1cc(C)n(CC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c(=O)n1 1857697143 XGVKRDXCKSQMSS-JQVVWYNYSA-N 381.476 1.845 0 50 GDAA CCOCC(=O)N1CCC[C@]2(C1)CN(c1nccc(OCC)n1)CC[C@H]2O 1857705418 GSTWNWQPFWLWPJ-BEFAXECRSA-N 378.473 1.092 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](Cn2ccnc2-c2ccnn2-c2ccccc2)C1 1857705723 SMOYWUIEFACIEI-INIZCTEOSA-N 387.465 1.396 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cnccn4)C[C@]34CC[C@H]2O4)cn1 1857709958 ALGVFWVSPGDOIL-QCBUCWTNSA-N 381.436 1.294 0 50 GDAA Cc1cc(C)n2ncc(-c3nccn3[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)c2n1 1857713258 NQMRYAZAMFLLKT-ULQDDVLXSA-N 382.468 1.606 0 50 GDAA CN(CC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO)Cc1ccncc1 1857720955 RSYWGVBANGOYKK-NPDDRXJXSA-N 381.476 1.109 0 50 GDAA O=S1(=O)CCC(n2ccnc2-c2cnc(NC[C@H]3CCCO3)nc2)CC1 1857726924 FQTZZFJQHTXXAB-OAHLLOKOSA-N 377.470 1.681 0 50 GDAA NC1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CC1 1857734428 SANNOBRDNNPCGV-AWEZNQCLSA-N 385.493 1.432 0 50 GDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)CC(=O)N21 1875244642 XMOAKLOUFHLFMU-DZKIICNBSA-N 392.427 1.388 0 50 GDAA CC(=O)c1sc(NC(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)nc1C 11905763 MQGASAPMTGXWOA-UHFFFAOYSA-N 382.467 1.311 0 50 GDAA Cn1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(O)nc1=O 263778335 GJSVSPJKICEEPA-GFCCVEGCSA-N 399.382 1.695 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@@H]1CCC(=O)N1 825038183 SZKZJLJUGWNJAA-AWEZNQCLSA-N 379.482 1.275 0 50 GDAA CC1(C)CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC[S@@]1=O 867359347 RLRLYKFKKGKOQP-GOTSBHOMSA-N 396.531 1.760 0 50 GDAA O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)N1CC(N2CCO[C@H](c3nc(C4CC4)no3)C2)C1 1875272092 BCXUVGPFWRWPRA-LLLHUVSDSA-N 387.484 1.903 0 50 GDAA Cc1ccn(-c2ccc(CNC(=O)N(C)C[C@@H]3CCS(=O)(=O)C3)cn2)n1 1875278556 LFRNWSVDGVWUCQ-HNNXBMFYSA-N 377.470 1.152 0 50 GDAA CCN1CCCN(C(=O)c2c3c(nn2CCOC)[C@H](C)O[C@H](C)C3)CC1=O 1875316176 YUYACWQNDSWIEQ-KGLIPLIRSA-N 378.473 1.246 0 50 GDAA C=CC(=O)NCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1875301193 CVQPXEDFPCOEJZ-ZIAGYGMSSA-N 383.370 1.352 0 50 GDAA O=C(NCc1cn([C@@H]2CCOC2)nn1)c1cnn2c1NCC[C@H]2C(F)(F)F 1875396438 HNCIZVTYSNVENN-PWSUYJOCSA-N 385.350 1.285 0 50 GDAA Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)NCC3CCOCC3)n(C)c2n1 1875324279 QKIMFQDMILEXQW-UHFFFAOYSA-N 386.374 1.605 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccn3nccc3n2)N1Cc1ccccc1 1875396455 HXDZSEWBTNCHSY-IERDGZPVSA-N 395.463 1.111 0 50 GDAA Cc1nc(C(=O)NC2CC(Cn3ccnn3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404051 RUKWZBSLMPMMPV-OFLPRAFFSA-N 398.515 1.034 0 50 GDAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(c2nc(=N)[nH]c3c2cnn3C)C1 2325755942 QPWYMVJIFPHBEA-DOMZBBRYSA-N 391.439 1.527 0 50 GDAA C[C@@](N)(CNC(=O)c1cnn2c(Br)cccc12)Cn1cccn1 2325775034 TYGRFDPYYGTINZ-OAHLLOKOSA-N 377.246 1.441 0 50 GDAA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)CC[C@H]2CCCOC2)CC1 2325775718 HFCWYUASXOCZFF-OAHLLOKOSA-N 384.473 1.730 0 50 GDAA Cc1cc(I)cc(NC(=O)CC2CC(=O)NC(=O)C2)c1 2325780043 CMZMRFFZSHADSE-UHFFFAOYSA-N 386.189 1.981 0 50 GDAA Cc1ccn2c(=O)c(C(=O)N3CCN(c4ccc(F)cn4)C[C@@H]3C)cnc2c1 2325796516 WDPMHIIWGZNETC-AWEZNQCLSA-N 381.411 1.888 0 50 GDAA O=C1CC2(CNC2)[C@H](C(=O)NCCc2c[nH]c3c(F)cc(Cl)cc23)CN1 2325800963 OUUMOABEDWRHAL-ZDUSSCGKSA-N 378.835 1.345 0 50 GDAA Cn1ccnc1[C@@H]1CNCCN1CCNC(=O)c1cc2cc(F)ccc2cn1 2325857402 ALVHVAOMBGAZNG-SFHVURJKSA-N 382.443 1.484 0 50 GDAA Cc1csc(CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)n1 2325887114 UZMHLRFNGZYXNY-CQSZACIVSA-N 398.444 1.143 0 50 GDAA NCC[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 926404559 YWZYIIDVCUFKIL-SWLSCSKDSA-N 395.301 1.705 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(CNCc3cccnc3)C2)C1)C1CCC1 2332238045 WTDMHUSVAWUQIU-KGXSXCIVSA-N 391.537 1.814 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCCn3nnc4ccccc43)cn12 2356165129 VATUZUURQKTQRB-QGZVFWFLSA-N 379.424 1.593 0 50 GDAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)C1=O 2356166259 ZMOOJXHSOOHTRZ-GOSISDBHSA-N 397.472 1.480 0 50 GDAA C[Si](C)(C)c1ccc(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 225808020 QFTQABSESZCKDZ-MRXNPFEDSA-N 382.602 1.562 0 50 GDAA O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc2nn[nH]c2n1 416174694 GZPIDLCXZNPYFS-NSHDSACASA-N 379.342 1.953 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 133498024 SPJHKNWWLXLHTB-CEXWTWQISA-N 381.411 1.679 0 50 GDAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCN(CC2CC2)CC1 20999534 GDSMVEJIEASNHJ-OAQYLSRUSA-N 375.488 1.707 0 50 GDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cn2c3c(cccc3c1=O)CC2 65394581 XFTFWAWAEHCNHS-SFHVURJKSA-N 392.411 1.777 0 50 GDAA COc1ccc(C)cc1NCCC(=O)N1CCN(c2ccc3nncn3n2)CC1 136410475 MPGWPUBEZPUNHA-UHFFFAOYSA-N 395.467 1.592 0 50 GDAA Cc1nc2ccccc2n1CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 409413639 OYFBOWHMPPFEOQ-QGZVFWFLSA-N 391.431 1.602 0 50 GDAA COCCS(=O)(=O)c1ncc(CN(C)[C@H]2CCOC2)n1Cc1ccccc1 20451706 OWGWWHNWIJEFHZ-KRWDZBQOSA-N 393.509 1.572 0 50 GDAA COC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccno3)c2)C1 216045964 WRMRRWYMZIOYRX-ZDUSSCGKSA-N 379.438 1.262 0 50 GDAA Cc1cc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)nc(N)n1 67786232 GBIUORDLTOVGPX-FQEVSTJZSA-N 398.442 1.544 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 12429733 IJBFRHQKFKZCCX-IBGZPJMESA-N 383.496 1.234 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2nc3c(s2)CCCC3)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65385578 LGBGCGYTOOUNCS-ZIVKBKJYSA-N 377.466 1.219 0 50 GDAA O=S(=O)(c1cccc2c1OCCO2)N1CC[C@](O)(c2nc(C3CC3)no2)C1 328610556 IKAANWLCYFSLRI-QGZVFWFLSA-N 393.421 1.000 0 50 GDAA CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77485987 UCFHQGJZHLNICK-VWNVYAMZSA-N 396.491 1.940 0 50 GDAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 361997636 PBMZDLVHEQIQCI-ROUUACIJSA-N 398.507 1.517 0 50 GDAA Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)nn1 364369730 OTHPLPIKTOVAEI-INIZCTEOSA-N 398.467 1.717 0 50 GDAA CN1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1c1nccn1C 332980061 VAXXWSGSZYTFJB-WOJBJXKFSA-N 396.539 1.940 0 50 GDAA CN(C)S(=O)(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 558636607 BNLNAUYEXZJVJM-UHFFFAOYSA-N 378.498 1.062 0 50 GDAA COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 171063721 SACRMJPFBVMIOV-HZPDHXFCSA-N 384.484 1.736 0 50 GDAA CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CC[C@H]2OCC(=O)N[C@H]2C1 373761244 OQVCYGLKTAWIMR-JKSUJKDBSA-N 387.411 1.953 0 50 GDAA Cn1cnc(CCN2Cc3c(C(=O)NCc4ccncn4)cccc3C2=O)c1 72480054 WGXPDTJWPJNAAU-UHFFFAOYSA-N 376.420 1.339 0 50 GDAA CN1CCN([C@H]2COC[C@@H]2n2ccnc2-c2cnc(-c3ccco3)nc2)CC1 77343336 BKIVRSJQQQGPSK-IRXDYDNUSA-N 380.452 1.787 0 50 GDAA CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 43214889 QNMSKVVHXBUWAC-KRWDZBQOSA-N 380.400 1.573 0 50 GDAA CN1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3cccnc3)cc2)CC1 19636971 GSMDZDHSUBHWNE-OAQYLSRUSA-N 384.524 1.701 0 50 GDAA Cc1nc(CC(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)cs1 95380523 ZMEMBVFYVLHETF-FQEVSTJZSA-N 390.553 1.929 0 50 GDAA O=C(CN1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C(=O)O)C1)NCc1ccco1 96139885 MNOVPMDFFGPQFA-UWJYYQICSA-N 383.448 1.414 0 50 GDAA COCCCN1CC2(CCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)CC1=O 95371389 WYXAUWUCLRFSML-UHFFFAOYSA-N 389.496 1.493 0 50 GDAA C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239433008 XBYDBYCAEPUJOU-UPLOXUSXSA-N 379.412 1.854 0 50 GDAA C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1-n1cccn1 95378879 KKCHECBVSXFCFK-KRWDZBQOSA-N 391.479 1.662 0 50 GDAA Cn1cccc1C(=O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95509499 TWIZCNLCWFHRMI-UHFFFAOYSA-N 395.463 1.244 0 50 GDAA COc1ccccc1CCN1C(=O)[C@@H](CCC(=O)NCc2cccnc2)N=C1O 252570603 WXSNBAFIGPWOSI-QGZVFWFLSA-N 396.447 1.854 0 50 GDAA O=C1CN(c2ccc(NS(=O)(=O)c3c[nH]c(C(F)(F)F)c3)cn2)CCN1 1324233758 CZXDWRJMPICTDO-UHFFFAOYSA-N 389.359 1.166 0 50 GDAA COC(=O)c1cn(CCC(=O)Nc2ccc(F)c(F)c2F)cc2c(=O)[nH]nc1-2 263588276 RBVVJZRKVKLGNJ-UHFFFAOYSA-N 394.309 1.909 0 50 GDAA Cc1cc(C[C@@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n[nH]1 534577143 MKSSSFVOBGZJJH-CQSZACIVSA-N 376.505 1.165 0 50 GDAA CCNC(=O)c1cccc(NC(=O)N2CCC[C@](CO)(CN(C)C)C2)c1C 299779083 PRHMEOFQAVVGBF-FQEVSTJZSA-N 376.501 1.913 0 50 GDAA Cc1cc(C)nc(SCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)n1 670447837 KQZRKKBAPOWNPB-GFCCVEGCSA-N 381.479 1.896 0 50 GDAA O=C(COc1cccc(F)c1)NCC1CCN(S(=O)(=O)N2CCCC2)CC1 952966304 WBEBSXMBLCQEBG-UHFFFAOYSA-N 399.488 1.373 0 50 GDAA CC(C)[C@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1NS(=O)(=O)N(C)C 1565515583 IFUSHKDICOWJCP-CVEARBPZSA-N 385.555 1.658 0 50 GDAA CN(C(=O)N1CCC(c2c[nH]c3ncccc23)CC1)[C@@H]1CCS(=O)(=O)C1 408017902 ORLOFCFSHGHNRG-CQSZACIVSA-N 376.482 1.981 0 50 GDAA O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 186122503 UWGNRPRNZVECRJ-CYBMUJFWSA-N 391.415 1.290 0 50 GDAA COc1ccc(CCNC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 170591338 OZDAOOHDXPAPNW-UHFFFAOYSA-N 392.433 1.873 0 50 GDAA CN1C(=O)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H]1c1ccccc1 170606641 UIQISNDEPIMEAF-IBGZPJMESA-N 385.445 1.733 0 50 GDAA Cn1cccc1[C@@H]1CCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 192917886 GWRIPAGGAQZYNT-IBGZPJMESA-N 392.459 1.761 0 50 GDAA COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc3nc(C)ccn23)CC1=O 1529155319 QYUIVSIAPVNHII-AWEZNQCLSA-N 380.408 1.429 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC1)OCC2 1704358733 RCSPRRPTWPCDRG-OAHLLOKOSA-N 388.464 1.620 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 1704307031 QXUPYPKPZYHXSH-LLVKDONJSA-N 397.428 1.472 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772806766 KKBURNSNOACUEX-HNNXBMFYSA-N 389.525 1.519 0 50 GDAA CN(C)C[C@@]12CN(C(=O)CC3=CCCC3)C[C@H]1CN(C(=O)c1ccc(O)nc1)C2 1772707280 XJBZKYRPJQTIHI-AVRDEDQJSA-N 398.507 1.750 0 50 GDAA O=C1CC[C@H](C(=O)N2CCCN(C(=O)Cc3c(F)cccc3Cl)CC2)N1 1772711617 FQKRKFKPGQNNTD-OAHLLOKOSA-N 381.835 1.361 0 50 GDAA O=C(c1cccc(OC2CCN(C(=O)[C@H]3CCOC3)CC2)c1)N1CCOCC1 12718702 HTXZHDSAVXYGLY-KRWDZBQOSA-N 388.464 1.565 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(Cc2ccccc2C)no1 169755130 BOHZVBPVQPOKSE-UHFFFAOYSA-N 390.421 1.547 0 50 GDAA O=S(=O)(N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccoc1Cl 1857531276 CDYOTIUBSAHAKZ-MIMYLULJSA-N 380.253 1.901 0 50 GDAA O=C(O)CN1CC[C@@]2(C1)CN(C(=O)c1csc(-c3ccccc3)n1)CCO2 1857703318 YWZRHALVJQGFDE-LJQANCHMSA-N 387.461 1.812 0 50 GDAA CN(C)C(=O)c1ccc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)nn1 1857706829 RVZPYTZDTXGONF-HXUWFJFHSA-N 381.436 1.432 0 50 GDAA CCC(CC)(NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 225425287 IUORDGYXVQXBAB-ZDUSSCGKSA-N 390.436 1.659 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cnc3onc(CC)c3c2)n1 328616435 BRSWGNSUPFPQKM-TVQRCGJNSA-N 393.425 1.227 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 332976388 QAMXGMMOXWIBTE-UYAOXDASSA-N 391.537 1.871 0 50 GDAA O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1CCCN1C(=O)Cc1ccccc1 151823494 KUQYTJCXOVJZCS-QGZVFWFLSA-N 376.420 1.835 0 50 GDAA CNC(=O)C[C@H](NC(=O)Cc1c(C)nc2cc(O)nn2c1C)c1ccccc1 484854298 WHMMPQTXJDOGKX-INIZCTEOSA-N 381.436 1.588 0 50 GDAA N[C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)C[C@H]12 841214913 UNLLEOHWZIUBCD-DETPVDSQSA-N 378.423 1.699 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3nccn3C3CC3)C2)c1C 1875301950 YTZGVENKCHUVNI-OAHLLOKOSA-N 383.500 1.695 0 50 GDAA Cc1cccc([C@H](C)C(=O)N2C[C@@H]3CCCN(C(=O)[C@@H]4CNC(=O)C4)[C@@H]3C2)c1 1875347808 SZOOAJMXUMHOPX-DSLXNQLJSA-N 383.492 1.684 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)CCn3cccn3)C2)c1C 1875397813 OTZLXMLGVRPBDL-WMLDXEAASA-N 385.516 1.639 0 50 GDAA CC(C)=C(F)C(=O)N1C[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C[C@@H](O)C1 2325878066 DAINBFDRKJUVHA-UONOGXRCSA-N 381.452 1.279 0 50 GDAA O=C1N[C@@H](CC(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)c2ccccc21 2325888518 ACCDOCKDOIXRKE-PWRODBHTSA-N 391.471 1.491 0 50 GDAA Cc1ccnn1CC(=O)N[C@H]1CC2(CN(C(=O)C3CC(C)(C)C3)C2)n2ccnc21 2332237621 FAMHAGACIFJQMD-INIZCTEOSA-N 396.495 1.623 0 50 GDAA Cc1nc(C(=O)N2CC3(C[C@H](NC(=O)[C@@H]4CCC4(F)F)c4nccn43)C2)co1 2332237745 KDAJULZAXPMVAW-RYUDHWBXSA-N 391.378 1.637 0 50 GDAA O=S(=O)(NNC(=S)NC[C@H]1CCCO1)c1cc(Cl)ccc1Cl 1117840 GLLOYGACMYFXBU-SECBINFHSA-N 384.310 1.830 0 50 GDAA COc1nc2ccccc2nc1CCC(=O)N1CCC2(CC1)CNC(=O)CO2 2356136050 FJWCUCQTLMIMJG-UHFFFAOYSA-N 384.436 1.079 0 50 GDAA OC[C@@H]1CN(Cc2ccccc2OCCCCN2CCOCC2)CC[C@@H]1O 2356145932 XZRDXHMBVLBIJU-PMACEKPBSA-N 378.513 1.353 0 50 GDAA COc1ccc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c(OC)c1 4725471 HELYJIMAYLNSKN-UHFFFAOYSA-N 391.512 1.364 0 50 GDAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCN(Cc2ccccc2)CC1 100622671 AYACCIVVNHUZME-ZULIPRJHSA-N 381.476 1.362 0 50 GDAA Cc1n[nH]c(C)c1CN1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 67872772 OEPJFKWPSZGVIR-GOSISDBHSA-N 389.544 1.562 0 50 GDAA C[C@H]1C(=O)NCCN1Cc1cn(C2CCN(C(=O)c3ccsc3)CC2)nn1 23128891 DLPYYXGNUCVVBB-ZDUSSCGKSA-N 388.497 1.137 0 50 GDAA COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN(Cc3ccccc3)C1)CC2 137858198 ZDFJEJSTTCFPJM-ZWKOTPCHSA-N 383.496 1.768 0 50 GDAA CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 1391684 NWUVTGDOPFQPAW-LBPRGKRZSA-N 395.264 1.436 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 11817001 DHTROPXQISREJT-KRWDZBQOSA-N 399.495 1.323 0 50 GDAA Cn1nc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)cc1-c1ccccc1 215585703 MMKKEJZZEIDHEN-CQSZACIVSA-N 376.482 1.489 0 50 GDAA C[C@@H]1CN(Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C[C@@H](C)O1 237409523 OSYURPPIDPENJC-HLIPFELVSA-N 375.513 1.681 0 50 GDAA COC(=O)Cn1cc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cn1 437409759 RROPDQDHIXEPAH-UHFFFAOYSA-N 375.410 1.351 0 50 GDAA COC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 71712129 KMLYFYKMENWDRO-LJQANCHMSA-N 387.524 1.695 0 50 GDAA CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCC[C@H]1O 72446925 BSSKYQTXNFZSBU-LSDHHAIUSA-N 386.539 1.911 0 50 GDAA O=C(NCCF)c1cccc(S(=O)(=O)N2CC(Oc3ccccc3)C2)c1 216360167 KLDCCPSKXCIBSZ-UHFFFAOYSA-N 378.425 1.838 0 50 GDAA O=C(C[C@@H]1COCCN1C(=O)CN1CCCCC1=O)NCC1=CCCCC1 72135168 HAPGKXJZWYGTOH-QGZVFWFLSA-N 377.485 1.233 0 50 GDAA Cn1c(O)nc(=O)c2nc(C[C@@H](O)c3ccccc3Br)c(O)nc21 241644698 PSTNUZRVCUIBTQ-SNVBAGLBSA-N 393.197 1.173 0 50 GDAA Cc1cc(=O)c(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c[nH]1 91757339 BJLKAHBXGUMMNA-INIZCTEOSA-N 387.480 1.707 0 50 GDAA COc1cccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1OC 91650011 OOJSLAAXCRUECF-QZTJIDSGSA-N 376.497 1.799 0 50 GDAA CN(C)CCN1C[C@@]2(CCCN(C(=O)CN3Cc4ccccc4C3)C2)CCC1=O 95523775 KXMWGAKCSCFOFP-QHCPKHFHSA-N 398.551 1.795 0 50 GDAA CC(=O)c1cc(CC(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)cs1 244734431 NFHJHKHVPVWBCN-OKILXGFUSA-N 375.498 1.746 0 50 GDAA CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2[nH]nc3cccc(F)c23)C1 252490248 KNAGEVHQBJGTGY-MNOVXSKESA-N 380.445 1.285 0 50 GDAA O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 670444403 KBIXAJXBZUNOSB-LJQANCHMSA-N 389.459 1.975 0 50 GDAA O=C(CCN1CCCCCC1=O)NC1CCN(C(=O)N2CCCCC2)CC1 952978551 AMKFTQLMUPSILA-UHFFFAOYSA-N 378.517 1.966 0 50 GDAA Cc1ccsc1CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565526073 ZFRHHEDDHLLLNE-DLBZAZTESA-N 377.535 1.935 0 50 GDAA COCc1ccc(C(=O)N2CC[C@]3(O)CCN(C(=O)N4CCCC4)C[C@@H]3C2)o1 1565506355 UDPRTKKCANZQBJ-YWZLYKJASA-N 391.468 1.541 0 50 GDAA COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCN(C(=O)CO)CC2)c1 793591001 FEPYDQMHUWSUAE-UHFFFAOYSA-N 386.496 1.950 0 50 GDAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14748433 AYLKWVRJZDLLRC-UHFFFAOYSA-N 397.479 1.282 0 50 GDAA Cc1nc2c(c(=NCc3ccccc3)[nH]1)CCC21CCN([C@@H](C)C(N)=O)CC1 1857685557 XSRIJIUCIXKKCL-HNNXBMFYSA-N 379.508 1.973 0 50 GDAA COc1cc(C)ccc1CN1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 247917646 BRETTZIVHVRYCK-HKUYNNGSSA-N 397.541 1.069 0 50 GDAA Cc1cncc(C(=O)N2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CC2)[C@@H]3O)c1 1704326093 WMWUUIZNRNPFLX-VQTJNVASSA-N 387.480 1.431 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)O[C@@H]2CCC(=O)NC2)C1 809017198 WHFWWZWAFMFULK-QWHCGFSZSA-N 392.456 1.960 0 50 GDAA COc1cccc(CN2CCC(N3C(=O)N[C@H]4CN(C(C)=O)CC[C@@H]43)CC2)n1 952852570 BKXASKIVFONZQT-ROUUACIJSA-N 387.484 1.069 0 50 GDAA Cc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)nn1C(C)C 1875278850 NZQNPPHNCAXHMM-AAEUAGOBSA-N 396.435 1.667 0 50 GDAA NS(=O)(=O)c1cc(C(F)(F)F)ccc1N1CCC[C@@H](n2ccnn2)C1 1875392136 GMACTDXLVGDGBC-LLVKDONJSA-N 375.376 1.786 0 50 GDAA C=CC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 1875389579 TZZIVKGIYZRFFG-YLJYHZDGSA-N 389.455 1.769 0 50 GDAA Cn1nnnc1CCCN1CCC(=O)N(CCc2c(F)cccc2F)C1=O 2325779669 WYSPRBYDSNBIHF-UHFFFAOYSA-N 378.383 1.318 0 50 GDAA C=CC(=O)NC[C@@H](O)C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 2325901741 WAMXJJZGUJBTES-WBVHZDCISA-N 391.855 1.277 0 50 GDAA Cc1nn(C)cc1CNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356143878 BJTXJDBBWJZBCG-KUDFPVQQSA-N 379.464 1.677 0 50 GDAA COc1ccccc1C(=O)N1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 54773777 OLYHQCHZSPJGIR-UHFFFAOYSA-N 375.812 1.635 0 50 GDAA COCCN1C(=O)C[C@H](CNC(=O)Nc2cccnc2)[C@H]1c1cnn(C)c1C 424105053 IRVZDSMUFAFLED-KDOFPFPSSA-N 386.456 1.481 0 50 GDAA O=C1CC[C@@H](NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C(=O)N1 152149053 VVERCSSNHMLJDZ-GFCCVEGCSA-N 381.417 1.531 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(O)n[nH]3)C2)CC1 72143315 FREIHCQXVOJFMY-HNNXBMFYSA-N 385.468 1.551 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)c2cccs2)CC1 172327892 PXBZROZGLUDFMT-LLVKDONJSA-N 383.495 1.990 0 50 GDAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@H](C(=O)O)C3)c12 262919201 UVAVXSWFYQXCAC-ZDUSSCGKSA-N 386.433 1.931 0 50 GDAA O=C(NCCc1cc(F)cc(F)c1)NCc1ccc(S(=O)(=O)CCO)cc1 242346998 ZKYKSNUKINSMAL-UHFFFAOYSA-N 398.431 1.773 0 50 GDAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 283992016 MBNDKVVFXZUWEP-ZIAGYGMSSA-N 388.873 1.440 0 50 GDAA O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NC1CCN(C2CC2)CC1 161245671 JYHABIVUYMJALY-UHFFFAOYSA-N 384.524 1.858 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 289467591 YUJQXINIPJMCPF-IAGOWNOFSA-N 384.484 1.530 0 50 GDAA O=C(c1nc2ccccn2c1CNCCN1CCCC[C@H]1CO)N1CCCC1 20600424 ACIMOWBZFZRINY-KRWDZBQOSA-N 385.512 1.507 0 50 GDAA CN1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95526579 DPDRQNDZIOQRRJ-QGZVFWFLSA-N 385.512 1.506 0 50 GDAA Cc1cccc(C(=O)N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 96149852 RBBUTGXZPYUZNC-UHFFFAOYSA-N 384.484 1.371 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1Cc1cccnc1 95370987 LCRSTIKGHCONHA-LJQANCHMSA-N 381.480 1.956 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)CCc1ccnn1C)CC2 95353849 DCNIVXVDGFOFRX-UHFFFAOYSA-N 397.483 1.005 0 50 GDAA O=C(Cn1ccnc1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96163591 LZJILKLDYRGLFQ-UHFFFAOYSA-N 380.456 1.461 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CN1Cc1cccnc1 95358162 REDKJPYUKQBKSQ-IBGZPJMESA-N 379.464 1.170 0 50 GDAA Cc1nc(CC(=O)N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cs1 95367467 LRJODEBFGJBCAQ-CQSZACIVSA-N 385.497 1.774 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)N(C)CCc2cnn(C)c2)cc1 96137462 HGEZUOGGYGTSBX-UHFFFAOYSA-N 379.486 1.815 0 50 GDAA Nc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)cn1 244899754 ZPMFGWOWZNXVEV-QAQDUYKDSA-N 386.496 1.812 0 50 GDAA CN(C(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(N2CCOCC2)nc1 182996166 KASJIVAROIGKEJ-UHFFFAOYSA-N 379.424 1.099 0 50 GDAA Cc1nn(C(C)(C)C)cc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 184253076 LFESLMLWAHNYMH-UHFFFAOYSA-N 398.511 1.973 0 50 GDAA CC(C)n1cnnc1CN(C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 489732265 DPFRDQLYWCMCMR-UHFFFAOYSA-N 383.449 1.613 0 50 GDAA C[C@H](O)[C@@H]1C(=O)N[C@H]1[C@@H](C)C(=O)/C([N+]#N)=C(/O)OCc1ccc([N+](=O)[O-])cc1 138823921 DWVDTGFCPCXUJS-PSJXJDHFSA-O 391.360 1.392 0 50 GDAA CCNC(=O)N1CCC(NC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)CC1 584901029 ASLYKZSLQUTWBQ-QGZVFWFLSA-N 378.473 1.651 0 50 GDAA Cc1nnnn1[C@@H](C(=O)NCCc1nc(-c2ccccn2)no1)c1ccccc1 670426617 NUMGPCNRQLMRJK-QGZVFWFLSA-N 390.407 1.375 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)c2cnc(O)[nH]2)C1)c1cc(=O)c2ccccc2o1 952964481 LWMOUXJILIWILA-LBPRGKRZSA-N 396.403 1.504 0 50 GDAA O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1ccccc1-n1cccn1 1565508685 VLPKAWIRDYXHBJ-ICSRJNTNSA-N 377.448 1.633 0 50 GDAA CC(=O)N1CCc2c(ncn(CC(=O)N3c4ccccc4CC[C@H]3C)c2=O)C1 275613900 RDYHOCTWGGRYMW-CQSZACIVSA-N 380.448 1.516 0 50 GDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 187510293 FIYOEGUTUQURHQ-VIFPVBQESA-N 388.902 1.945 0 50 GDAA CN1CCN(c2nc3ccccc3nc2N2CCN3C(=O)OCC[C@@H]3C2)CC1 764179584 LTVCRQOOXLVEHR-OAHLLOKOSA-N 382.468 1.413 0 50 GDAA CCn1cnnc1CCNS(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C 1506397364 LTOHHWSRPWWYHA-UHFFFAOYSA-N 380.499 1.887 0 50 GDAA Cc1cc(N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)nc(N2CCOCC2)n1 1529102141 YBMSTDGLPRURBJ-SIKLNZKXSA-N 398.507 1.414 0 50 GDAA Cc1nc[nH]c1C(=O)N1CCCN(CC(=O)NCCc2ccc(F)cc2)CC1 1529120542 AKBFZPWEWPODSG-UHFFFAOYSA-N 387.459 1.364 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@@]2(CO)C1 1772703360 MTFKQXXJKBLCLB-KNQAVFIVSA-N 392.507 1.532 0 50 GDAA Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 11661528 NPEFOIUQLVUXQN-MRXNPFEDSA-N 375.498 1.150 0 50 GDAA CCN1C(=O)C[C@@](CC(=O)N2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O 12205252 OYYHCMXQGHYYOP-SFHVURJKSA-N 398.381 1.971 0 50 GDAA CN1CCC(N(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 12299331 AHCZJQSGARTIKU-SFHVURJKSA-N 376.476 1.069 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)N=C1C 169771931 OZPCJLSKVXUQEW-UHFFFAOYSA-N 379.438 1.710 0 50 GDAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(-n3cnnn3)n[nH]2)cc1 1857667763 JACBNOWAAFVDNN-MRXNPFEDSA-N 397.439 1.258 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C2 1857682057 MRNSSONCOCVJMF-QGZVFWFLSA-N 399.444 1.035 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CC34CCNCC4)CC2)cc1 1857685382 UJGBTNILIIDJLR-IBGZPJMESA-N 391.537 1.608 0 50 GDAA O=C(NCCO)c1cc2c(s1)CCOC21CCN(c2nccs2)CC1 1857689754 KTUGIJZUIYZWIG-UHFFFAOYSA-N 379.507 1.995 0 50 GDAA COCCCN1CCOC2(CCN(Cc3cccc4nonc34)CC2)CC1=O 1857692370 BIYGUZYDWCLKHG-UHFFFAOYSA-N 388.468 1.843 0 50 GDAA CCc1cc(CN(C)C[C@H]2COCCN(C(=O)c3cnc4cccnn34)C2)on1 1857697016 RQSHWDHSXANTHJ-OAHLLOKOSA-N 398.467 1.500 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@H]21 1857701138 MVJREPIKNGMJER-KJGCVMFHSA-N 381.432 1.768 0 50 GDAA Cc1nnc(CN2CCOC3(CCN(Cc4cnc[nH]4)CC3)CC2=O)s1 1857704587 YNYPSWKMBVLXOH-UHFFFAOYSA-N 376.486 1.353 0 50 GDAA CCOCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=N)nc1-c1ccccc1 1857706536 KCCHTQGTRCCMOY-IRXDYDNUSA-N 395.463 1.408 0 50 GDAA N=c1nc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)[nH][nH]1 1857717995 JUENSTCTSRRBBU-SNVBAGLBSA-N 389.847 1.587 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@@H]1O)c1cncc(F)c1 1875243687 SPJLZIODWIPHFP-KKXDTOCCSA-N 387.411 1.285 0 50 GDAA Cc1cc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)nc(N)n1 253477042 COHYSBHSDFZPIN-PMACEKPBSA-N 396.539 1.167 0 50 GDAA O=C(NCC12COCCN1CCOC2)c1c(C(F)(F)F)nc2n1CCCC2 913298286 MDWKSGNPBADYIP-UHFFFAOYSA-N 388.390 1.069 0 50 GDAA CCc1cccc2[nH]c(C(=O)N3CCS(=O)(=O)C[C@H]3CC(=O)OC)cc12 1875269596 MYLOYHYECRUVBY-CYBMUJFWSA-N 378.450 1.533 0 50 GDAA C[C@@H](c1ccc(F)cc1F)n1cc(COCCOCCOCC(=O)O)nn1 1875357938 CEIDWVDXDRLRML-LBPRGKRZSA-N 385.367 1.800 0 50 GDAA Nc1nc(Cn2c(-c3nonc3N)nc3ccccc32)nc(N2CCCCC2)n1 8925930 DNIGTZAOKTVRFC-UHFFFAOYSA-N 392.427 1.474 0 50 GDAA O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3cccc(-c4cccs4)c3)C2)N1 2325746877 IHCKJXKQSZZRJS-KRWDZBQOSA-N 391.474 1.778 0 50 GDAA COc1ccccc1CN(C)C(=O)CSc1nncn1C1CCNCC1 2325783428 ZHQGKPSITGESGV-UHFFFAOYSA-N 375.498 1.962 0 50 GDAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccccc3-c3cn[nH]c3)C2)c1 2325786118 CATHNGABUUVEIV-JBBXEZCESA-N 395.419 1.541 0 50 GDAA Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1c[nH]c2c(c1=O)CNCC2 2325815711 FZJNLABKTYJAPW-AWEZNQCLSA-N 377.448 1.809 0 50 GDAA CN1CCN(Cc2nc(C(=O)N[C@@]3(CO)CCCC(C)(C)C3)cs2)CC1 2325828923 VSEIKGQSXFWTKJ-IBGZPJMESA-N 380.558 1.952 0 50 GDAA CCCn1cc(Cl)c(C(=O)N2CC(NC(=O)c3cnc4[nH]ccc4n3)C2)n1 2325879395 TZXGZBJSIDFFBX-UHFFFAOYSA-N 387.831 1.472 0 50 GDAA CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@]12C(=O)Nc1ccccc12 850157 YVUFESFCOSOPLK-HXUWFJFHSA-N 386.404 1.866 0 50 GDAA Cc1ccc(CN(CC(=O)NCCCO)S(=O)(=O)c2ccc(C)cc2)cc1 4803707 CKGKQHXUTIVRNQ-UHFFFAOYSA-N 390.505 1.993 0 50 GDAA CN1CCN(C2=N[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2)CC1 13690580 CSWXVQKNXCTUOG-ZDUSSCGKSA-N 383.374 1.136 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3ccccc3)C[C@H]12 14755025 RDMQEBFFHCNMCX-ZWKOTPCHSA-N 379.416 1.439 0 50 GDAA O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccccc1 18143612 SABICFKQWDLUMQ-GOSISDBHSA-N 399.472 1.325 0 50 GDAA NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 19731497 AFMUXGSLZYOWQU-HNNXBMFYSA-N 393.852 1.409 0 50 GDAA CN1CCN([C@@H]2CCN(C(=O)c3csc(-c4cccs4)n3)C[C@H]2O)CC1 19788747 FVKXQNPEWFQRMO-HUUCEWRRSA-N 392.550 1.694 0 50 GDAA CC(=O)C[C@]1(O)C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21 19958582 IJNHIYROSHGIFR-JOCHJYFZSA-N 379.460 1.980 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cc(C(=O)O)nn3)C2)cc1 65403767 BERLBCWGBSYWJH-AWEZNQCLSA-N 378.454 1.640 0 50 GDAA COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65405127 GDIRPAIEEJKYFN-BZLDKRAPSA-N 379.416 1.556 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)nn(C)c1=O 67714038 LZKPACPIBHHAGR-INIZCTEOSA-N 380.452 1.807 0 50 GDAA CNS(=O)(=O)c1ccc(CN2CCCN(C(=O)c3ccco3)CC2)cc1 71765152 VPFNYTYMXTYJIX-UHFFFAOYSA-N 377.466 1.536 0 50 GDAA CCCc1ccc(C(=O)N2C[C@@H](C(=O)O)C[C@H](C(=O)N3CCOCC3)C2)cc1 72134285 AVZWUSLIBAOABQ-ROUUACIJSA-N 388.464 1.661 0 50 GDAA Cc1ccc(C)c(OCCN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(C)C)c1 72167175 UQWAVLLPIMOFKX-GOSISDBHSA-N 375.513 1.987 0 50 GDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCc3nc[nH]c3[C@@H]2C(=O)O)no1 72433227 ZLMQMWSGIUBXSE-CQSZACIVSA-N 376.804 1.944 0 50 GDAA COc1ccccc1C(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 77139361 UDTXXFFGRPJQOO-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA O=C1CCCCCN1CCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 77357962 RNFUQXJJMAQAIV-UHFFFAOYSA-N 375.444 1.789 0 50 GDAA CCn1c(C)cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c1C 95374596 QYGKZBNEWFZRBO-UKBAYJJMSA-N 377.529 1.915 0 50 GDAA CCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)N(CC)CC 95503722 JSEVXZFIBSSKAG-WBVHZDCISA-N 376.501 1.525 0 50 GDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 95511363 XJPLJJBODRCLDT-NSHDSACASA-N 380.388 1.150 0 50 GDAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CN1CC(=O)NC1=O 95530117 JZAFRVUQJBJYOC-HNNXBMFYSA-N 390.459 1.090 0 50 GDAA O=C1CN(C(=O)CN2CCC(OCCN3CCCC3)CC2)c2ccccc2N1 174240892 WZKNDYAUZBUCOO-UHFFFAOYSA-N 386.496 1.549 0 50 GDAA O=C(CCc1nc(-c2ccco2)no1)N[C@H]1CCCN(c2cccnc2)C1=O 183097991 XIZWMKHSYSXMLN-AWEZNQCLSA-N 381.392 1.969 0 50 GDAA Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 192231511 FEYWZTUKPGGPQZ-MRXNPFEDSA-N 396.447 1.845 0 50 GDAA CO[C@H](C)CNC(=O)c1cccc(S(=O)(=O)N2CC(N3CCCCC3)C2)c1 215842839 AHAMBNRUOAWLTA-OAHLLOKOSA-N 395.525 1.310 0 50 GDAA COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 218097705 QSKQSRNGFCMEKL-SECBINFHSA-N 381.768 1.921 0 50 GDAA biogenic O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccn1 299783000 NSYFRSTXDKEZLS-SFHVURJKSA-N 386.496 1.161 0 50 GDAA CC(C)Oc1cccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)c1 299791204 DVMOMAXYNYBMCR-UHFFFAOYSA-N 378.498 1.735 0 50 GDAA CCS(=O)(=O)N1CCc2c(ncn(CCCc3ccccc3OC)c2=O)C1 328627659 GLCGADFHKZLOEN-UHFFFAOYSA-N 391.493 1.593 0 50 GDAA Cn1cc([C@H]2OCCC[C@@H]2NC2CCN(CCN3CCOCC3)CC2)cn1 333033554 MWJZUDGXMDPEEG-VQTJNVASSA-N 377.533 1.026 0 50 GDAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 363349914 SOKYQIRXFVHUJS-INIZCTEOSA-N 394.541 1.025 0 50 GDAA O=C(CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1)NOCc1ccccc1 367802905 QBGGZQXPFZLLEL-GOSISDBHSA-N 394.431 1.387 0 50 GDAA Cc1nnc(N2CCN(c3ncnc4scc(C)c34)CC2)c(C(N)=O)c1C 413126777 UHPZNSBYKYUUKA-UHFFFAOYSA-N 383.481 1.832 0 50 GDAA O=C(N[C@@H]1CNC[C@H]1O)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 584895267 RQUAHZTUDCTHHG-NHCUHLMSSA-N 380.492 1.797 0 50 GDAA O=C(c1ccc2nc[nH]c2n1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952893461 UFAOIXDOURAPLZ-UHFFFAOYSA-N 393.451 1.604 0 50 GDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1ccc(=O)c3ccccc31)C2 1073352367 BBCQXDKBNPDKDM-CVEARBPZSA-N 383.448 1.097 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CN2CCC(C)CC2)cc1OC 1529187589 VOFXPXGTBWFTPH-TZIWHRDSSA-N 392.496 1.697 0 50 GDAA CCCc1ccc(CN2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)o1 1565514475 MNRLYYQNTAOOSU-SJORKVTESA-N 376.482 1.510 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N[C@H]2CCN(C)C2=O)cc1 1704335609 PEBZJIGYPRVSKU-HNNXBMFYSA-N 384.436 1.911 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1C[C@H]2CNC[C@@]2(CO)C1 1772709202 HVXKHHWUMSKHJF-IERDGZPVSA-N 377.448 1.134 0 50 GDAA COCC(=O)N1CCN(C(=O)N[C@H](C)c2ccccn2)CCC12CCOCC2 1775962933 YFFBKVVLDJYQGM-MRXNPFEDSA-N 390.484 1.582 0 50 GDAA CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)[C@@H]2C1 1775994859 LBFIUPLILMJIRR-SJORKVTESA-N 389.500 1.723 0 50 GDAA CS(=O)(=O)N1CCO[C@H](Cn2ccnc2-c2coc(-c3ccccc3)n2)C1 1857684313 IFPGWVWYJGWEMU-OAHLLOKOSA-N 388.449 1.866 0 50 GDAA O=C(O)CN1CC[C@@]2(C1)Cn1c(COc3ccccc3Cl)nnc1CO2 1857689574 SORMJMUZNTVYFL-QGZVFWFLSA-N 378.816 1.570 0 50 GDAA CCCN1CCC2(CC1)OCCc1cc(C(=O)N[C@H]3CC(=O)N(C)C3)sc12 1857689581 SXRZJCISFFWKGM-HNNXBMFYSA-N 391.537 1.982 0 50 GDAA CN(C)C(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)CCn1cnnn1 1857697857 PIDIBIDALONIDO-SQGPQFPESA-N 382.468 1.144 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3nnnn3-c3ccccc3)C1)CC2 1857709643 KBSQRQJEHWYSCL-FQEVSTJZSA-N 392.467 1.708 0 50 GDAA Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)c(C)c1C 1857712504 BUQKUWGRLSBCNP-CQSZACIVSA-N 390.513 1.953 0 50 GDAA Cc1c(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cnn1C 1857713913 XELGDTDWFDAYRX-WMZOPIPTSA-N 378.498 1.421 0 50 GDAA O=C(O)CCN1C[C@@H]2[C@H](CNC(=O)c3ccc(F)c(F)c3)[C@H]3CC[C@]2(C1)O3 1857740200 DHAIPCUVIFHKOH-HAELCTKSSA-N 380.391 1.649 0 50 GDAA O=C(CN1C(=O)CCc2ccccc21)NS(=O)(=O)Cc1cccc(F)c1F 1875289426 QKRYLCXLXWTNAY-UHFFFAOYSA-N 394.399 1.890 0 50 GDAA CN1C[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)CCC4)C2)NC1=O 1875310629 WEXBKYPEKUILKL-KDOFPFPSSA-N 384.480 1.167 0 50 GDAA C=CC(=O)N1CC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1875387371 DUPDIGSKKBKYMP-UHFFFAOYSA-N 380.441 1.235 0 50 GDAA Cc1ccc(C(=O)N2CC3(C2)[C@@H](C(=O)N(C)C)CCS3(=O)=O)c(Cl)c1 1875395841 NIEKBDDNHQTIRN-CYBMUJFWSA-N 384.885 1.366 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c(C4CC4)cnn3C)C2)n1 1875397045 IZPWTNRICRJLLW-OAHLLOKOSA-N 383.500 1.432 0 50 GDAA CC(=O)N[C@H](C)C(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940193382 FKTPGDQLRDLPTD-CYBMUJFWSA-N 395.463 1.575 0 50 GDAA Cc1[nH]nc(CN2C[C@H](CC(=O)N[C@@]3(C)CCN(C)C3)OCC23CCC3)c1C 2325785347 QYGLLGXSTQMCAZ-PXNSSMCTSA-N 389.544 1.751 0 50 GDAA NC(=O)c1cn(C2CN(Cc3c[nH]c4cc(Br)ccc34)C2)nn1 2325788367 BCQIJLRUZDNRJS-UHFFFAOYSA-N 375.230 1.678 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 2325889434 QINNVVGJIGEWBY-INIZCTEOSA-N 391.493 1.219 0 50 GDAA Cn1cccc1C(=O)NCC1CC2(C1)C[C@H](NC(=O)C1CC1)CCS2(=O)=O 2332237927 QUNNZZPFHYJSBZ-SHBDPFAUSA-N 393.509 1.007 0 50 GDAA CN(CC(=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1)Cc1ccncc1 2356136767 JBDZQADSCKASFD-DENIHFKCSA-N 397.475 1.420 0 50 GDAA COCCN1Cc2nnc(CC3CCNCC3)n2[C@H](Cc2ccccc2)C1=O 2356138569 MGXHASZMYVXQRN-GOSISDBHSA-N 383.496 1.593 0 50 GDAA O=C(NCC(=O)N1CCCC1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356155832 OJHJIXWQUGGBMU-ZJTDPSCFSA-N 382.464 1.057 0 50 GDAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 794509 XEBHSVHYYYFZLH-UHFFFAOYSA-N 399.472 1.930 0 50 GDAA CCCN1CCC(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 900370 HFPSRBLGOUSQRU-UHFFFAOYSA-N 381.542 1.876 0 50 GDAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@]12CCCN(CCO)C2=O 2356134134 AANPFSCRVWTCNY-FQEVSTJZSA-N 375.469 1.465 0 50 GDAA CCCn1nc(N(CCCOc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1C 2356140379 GTBJIZWDFUMDKT-UHFFFAOYSA-N 394.497 1.936 0 50 GDAA O=C(c1cocn1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 864096955 FZLTYBOQPYAKBU-UHFFFAOYSA-N 383.452 1.370 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(Cl)cc3C)nn2)CN1 67770821 WIBRPBPDXUQQDD-HIFRSBDPSA-N 391.863 1.211 0 50 GDAA CC(C)(CCNC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1)C(=O)O 424398475 ACJWEYOCZQWCKL-UHFFFAOYSA-N 383.470 1.479 0 50 GDAA Cc1ccc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1-n1cccc1 20858838 PHOMTJAVBROWTH-UHFFFAOYSA-N 377.448 1.842 0 50 GDAA Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)c2cccnc12 328613592 SNQCJOPHFABBOZ-HNNXBMFYSA-N 399.476 1.751 0 50 GDAA CCN(CC(=O)O)C1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 328634725 MYSQBROJOARARV-UHFFFAOYSA-N 395.887 1.936 0 50 GDAA COCCn1cc(C[C@@H]2N=C(O)N(Cc3csc(C(C)C)n3)C2=O)nn1 328610911 JPAZJBYIXJUGMB-ZDUSSCGKSA-N 378.458 1.372 0 50 GDAA Cc1ccc(CS(=O)(=O)N2CCn3nc(C(=O)N4CCCC4)cc3C2)cc1 65501356 KPWJKCYDPBZZDE-UHFFFAOYSA-N 388.493 1.773 0 50 GDAA COc1ccc(O)c(C(=O)N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)c1 67847480 AZMZYRQLEREZSB-UHFFFAOYSA-N 399.451 1.706 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1cnn(C)c1C 6527547 AFCTVNRHVDNEFN-SNQWNFELSA-N 398.444 1.043 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)COc3ccccc3O)C2)CCC1=O 72477963 CIIWPOWVTNTWFW-OAQYLSRUSA-N 389.496 1.564 0 50 GDAA C[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H](C)N1 153250410 MVHLEEDEXUHPPT-NXEZZACHSA-N 375.288 1.675 0 50 GDAA CS(=O)(=O)NC[C@]1(O)CCCN(C(=O)c2ccc3ncsc3c2)CC1 72124143 ZVPATHSHCPNWRB-INIZCTEOSA-N 383.495 1.203 0 50 GDAA COc1nc(OC)nc(N2CCn3nc(-c4nc5ccccc5[nH]4)cc3C2)n1 71748361 LFDKRQZZSBPKDE-UHFFFAOYSA-N 378.396 1.649 0 50 GDAA Cn1cc(C(=O)O)c(-c2ccc(NS(=O)(=O)N3C[C@H]4CC[C@H]3C4)cc2)n1 372314922 IRCSHFZJXOMHFD-FZMZJTMJSA-N 376.438 1.926 0 50 GDAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(C(=O)CN2CCOC2=O)CC1 72429574 ABPLQHMKOWZVPG-UHFFFAOYSA-N 380.372 1.411 0 50 GDAA COc1ccc2c(C(=O)N3CCN(c4ncc[nH]c4=O)CC3)cc(C)nc2c1 426377890 FMFNJHHJPGVWEW-UHFFFAOYSA-N 379.420 1.598 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 179534368 UIFVFWMDQFIXLJ-OAHLLOKOSA-N 393.447 1.874 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 426380427 MVQOJDNJDPGOCX-QGZVFWFLSA-N 375.517 1.934 0 50 GDAA CN(Cc1ccon1)C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426439047 UMZPXBPGZHQRQM-BSLVTKGXSA-N 381.480 1.384 0 50 GDAA Cc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)n(C)c2ccccc12 91643834 AZRGMVSIVMSAEA-QZTJIDSGSA-N 384.524 1.415 0 50 GDAA CC[C@@H](NC(C)=O)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91871401 DTGABGACROXUMK-GOSISDBHSA-N 386.496 1.728 0 50 GDAA CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)N2CCc3[nH]cnc3C2)C1=O 96165317 NKWUZYYXLGJXGB-MRXNPFEDSA-N 384.461 1.848 0 50 GDAA CCn1cnnc1CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95372682 HMJCCWGHENJQEP-UHFFFAOYSA-N 377.470 1.401 0 50 GDAA O=C(c1ccco1)N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 23128395 DCDYBFONYMRMOH-UXHICEINSA-N 381.476 1.774 0 50 GDAA Nc1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)ccn1 92080353 HFAHXNXWGKMZOX-UHFFFAOYSA-N 396.495 1.795 0 50 GDAA CCOC(=O)N1CCC(NC(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 97551247 OXHUZZDZRAZHLL-KRWDZBQOSA-N 376.457 1.192 0 50 GDAA CC(=O)c1cc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)cs1 92022838 LLMWCZFPMGVASN-HZPDHXFCSA-N 380.510 1.017 0 50 GDAA 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393.494 1.307 0 50 GDAA Cc1nn2c(C)cccc2c1C(=O)NS(=O)(=O)c1ccsc1C(N)=O 1875362460 GIYNDPSVJQOZSL-UHFFFAOYSA-N 378.435 1.230 0 50 GDAA COc1cc(C)ncc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397843 QDORXHSZQBGLBJ-QGZVFWFLSA-N 398.511 1.876 0 50 GDAA CSc1nc(N)cc(N2CCC(CNC(=O)c3ccc(=O)n(C)c3)CC2)n1 952989379 WUTVIKUXYXLWDJ-UHFFFAOYSA-N 388.497 1.126 0 50 GDAA O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 408521215 MGWXYHFMBOPLJO-UHFFFAOYSA-N 393.446 1.954 0 50 GDAA CC(C)c1c(C(=O)NCCC(=O)NS(C)(=O)=O)cnn1-c1ccc(F)cc1 170614383 ZCMMPNDXNLMKBS-UHFFFAOYSA-N 396.444 1.331 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 189209957 XJQXDKQBNBZCRZ-GFCCVEGCSA-N 375.450 1.334 0 50 GDAA Cc1ccc([C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]2N(C)C)cc1 216234647 LEFFOGFGOBTLFL-MOPGFXCFSA-N 387.505 1.812 0 50 GDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3c[nH]nc3-c3cccc(F)c3)CC2)NC1 1772813056 UREKINUDRISBFX-UHFFFAOYSA-N 399.470 1.936 0 50 GDAA CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 11820071 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C=CC(=O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 375456482 ILQZSPIPVMWZRK-HNNXBMFYSA-N 385.342 1.277 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)CC2(CCOCC2)O1 280376573 DDNVOPHAGYPYDB-ZDUSSCGKSA-N 385.438 1.109 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc(CN)c3)c2)CC1 71771078 GMIIZGUKLDLYKS-UHFFFAOYSA-N 389.477 1.447 0 50 GDAA CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCCn3c(cc4ccccc43)C2)C1 376931507 NNQMBVYEYSPDCD-HNNXBMFYSA-N 390.509 1.838 0 50 GDAA Cc1n[nH]c(C2CC2)c1C(=O)N1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72475781 BJPGAAVSZGRAEQ-CABCVRRESA-N 380.514 1.175 0 50 GDAA C[C@@H](CS(C)(=O)=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 72418220 ZKQOIWXUIGZTKB-INIZCTEOSA-N 380.510 1.949 0 50 GDAA CCCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82119949 OTFKNMFPXYEMKG-QGZVFWFLSA-N 381.517 1.958 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)s2)CN1C(=O)c1ccon1 96141626 WDVGWRDMZCBZOA-AAEUAGOBSA-N 376.438 1.194 0 50 GDAA CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3F)cc2)C1 426477525 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GDAA CC[C@@H]1C(c2ccccc2)=NN(C(C)=O)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4171618 LWSIYEPBJBQYDN-CYBMUJFWSA-N 380.408 1.156 0 50 GDAA O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCN(CCO)CC1 122426450 YCJLBIQBDGLOLX-AWEZNQCLSA-N 386.418 1.453 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 72436803 LUJIJXRFZVDOQI-UHFFFAOYSA-N 378.436 1.562 0 50 GDAA Cc1nnsc1CNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71422307 KAWYKRXWIKGOLY-ZDUSSCGKSA-N 389.481 1.452 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)OC1=O 77287866 OJRHGUCZVAEVQV-HNNXBMFYSA-N 384.498 1.794 0 50 GDAA Cc1c(-c2cc(C(=O)N3CCOC[C@H]3CC(=O)N3CCCC3)no2)cnn1C 72429536 NWAPJRFOOXMCNQ-CQSZACIVSA-N 387.440 1.237 0 50 GDAA COC[C@@H](C)N1CCc2c(c(C(=O)N[C@@H](C)c3ccccc3)nn2CCO)C1 14536631 VXXPLBODSIMUGJ-CVEARBPZSA-N 386.496 1.759 0 50 GDAA O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCN([C@H]2CCC[C@H]2O)CC1 369728925 FJQRCOUTMVGTQB-ZWKOTPCHSA-N 380.510 1.025 0 50 GDAA O=C(N[C@@H]1CCCc2c1cnn2CCO)[C@H]1CCCN1C(=O)Cc1ccccc1 378283223 BTQBOOYAGVHJBO-UYAOXDASSA-N 396.491 1.603 0 50 GDAA O=S(=O)(CC1CC1)c1ncc(CN2CCC(CO)CC2)n1C[C@H]1CCCO1 15062085 DFGFJQCASBHFHW-GOSISDBHSA-N 397.541 1.450 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C1CSCCSC1)C2 221305291 PPEMPJBMVDCUCM-KRWDZBQOSA-N 379.555 1.753 0 50 GDAA O=C(Nc1cc(-n2cnnn2)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 172723779 WUQDZZVOWLWUSS-GOSISDBHSA-N 382.399 1.641 0 50 GDAA O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CCCC[C@@H]1n1cccn1 174197334 QHYYTJXNJSZVBS-JENIJYKNSA-N 393.557 1.874 0 50 GDAA CCCN(Cc1nccn1C)C(=O)NCCn1nc(O)c2ccccc2c1=O 426521152 DQZDPFWNHUUPDE-UHFFFAOYSA-N 384.440 1.457 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 194613062 CBCMWXFTWSWSDJ-UHFFFAOYSA-N 394.475 1.578 0 50 GDAA COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(OC)c1 239025357 BMRXZYSNMYNZPM-UUBMZHIOSA-N 382.416 1.695 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)o2)CN1Cc1sccc1C 95507260 IGTHYVUPJXSMNQ-OLZOCXBDSA-N 377.466 1.777 0 50 GDAA COc1ccc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(C)c2c1 426739832 SAZGCTKAXOFGOD-UHFFFAOYSA-N 387.461 1.807 0 50 GDAA CC(C)[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1NS(=O)(=O)N(C)C 95385853 OVHYGBAOSMRCOD-ZWKOTPCHSA-N 387.521 1.947 0 50 GDAA Cc1cc(N2C[C@H](C(=O)N3CC[C@@H](CN)C3)CC2=O)ccc1Br 178558907 YMSWVHXPXQIHFU-QWHCGFSZSA-N 380.286 1.918 0 50 GDAA Cc1nc(N2CCC(NC[C@H]3CCS(=O)(=O)C3)CC2)c2ccsc2n1 96137510 YDKMDXGTXKNYCK-CYBMUJFWSA-N 380.539 1.993 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)CCc3ccc(O)cc3)C[C@@H]2CO)CC1 91636645 CFSQXXDBHYREIK-RTBURBONSA-N 375.513 1.029 0 50 GDAA CC(C)N1CCC[C@@]2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)C1=O 91973771 ZTZKIPJXFOIOIQ-NRFANRHFSA-N 382.464 1.797 0 50 GDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(S(=O)(=O)N2CCOCC2)C1 91616357 KJGITUPPVYSPKB-SFHVURJKSA-N 382.482 1.637 0 50 GDAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)nc(C)n1 91656497 CNBUUXGGUUNCCX-UHFFFAOYSA-N 396.495 1.904 0 50 GDAA COC(=O)CCNC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245256827 TZUWHUGSJLLCQC-HDJSIYSDSA-N 387.436 1.588 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)[nH]n2)o1 180299459 AYSXPXRDDXSWRT-UHFFFAOYSA-N 392.481 1.313 0 50 GDAA COCCNC(=O)c1ccc(NC(=O)NCCN2CCCCC2=O)c(C)c1 299765230 DDIJKYTYWVJJJT-UHFFFAOYSA-N 376.457 1.505 0 50 GDAA Cc1nn(CC(=O)N2CCc3c(ncnc3N(C)C)C2)c(=O)c2ccccc12 299761921 ZEAGRSGQCCQJLI-UHFFFAOYSA-N 378.436 1.146 0 50 GDAA COc1ccc([C@@H](CC(=O)N[C@@H](C)C(N)=O)c2cc3c(cc2O)OCO3)cc1 824654662 QOFPCMGFFPZXTE-SMDDNHRTSA-N 386.404 1.642 0 50 GDAA biogenic CCOc1cc(S(=O)(=O)NCCN2CCC[C@@H](CO)C2)ccc1Cl 670457715 YNILYMRRVUGDCM-CYBMUJFWSA-N 376.906 1.721 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2-n2cccn2)C1 670457143 CNPQMCITWUGERN-INIZCTEOSA-N 378.498 1.907 0 50 GDAA Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c2ccc(F)cc2n1 1330843498 DREIBUWEUPHPSU-DLBZAZTESA-N 378.425 1.710 0 50 GDAA Cn1cc(Cl)c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)n1 952969402 NCGWBTMGPURBLO-UHFFFAOYSA-N 378.816 1.563 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1)c1ccco1 952976910 QDMWKAIHFOFRMO-INIZCTEOSA-N 394.435 1.597 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N4C[C@H](N)[C@@H](O)C4)csc3C2)nc1 1565507374 ZITUEWGVGNXVOE-ROUUACIJSA-N 386.521 1.408 0 50 GDAA CC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)cs1 1565528183 WDGFUYXJYSNWDD-HOTGVXAUSA-N 377.466 1.921 0 50 GDAA CCc1nc(COc2ccc(C(=O)N3CCO[C@@H](CC(=O)O)C3)cc2)no1 269032853 NERCOTFNTBRWDC-AWEZNQCLSA-N 375.381 1.527 0 50 GDAA O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)[C@H]1CNCCO1 187608345 SNVDAOREAAHIPR-GOSISDBHSA-N 378.436 1.510 0 50 GDAA Cc1cc(CNC(=O)NCc2ccc(CN3CCCC3=O)cc2)nc(N(C)C)n1 190258435 MCYMVMUMAAPABH-UHFFFAOYSA-N 396.495 1.973 0 50 GDAA COc1ccc2nc(CCN(C)C(=O)c3c[nH]c4cc(C)nn4c3=O)[nH]c2c1 1506402316 WMDGFUCZDKIYBB-UHFFFAOYSA-N 380.408 1.531 0 50 GDAA Cc1csc(SCC(=O)N2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 1704344380 OYYQATWLFAFEJA-ZDUSSCGKSA-N 396.538 1.083 0 50 GDAA CSCCC(=O)N1CC[C@]2(C(=O)NCc3nccn3C)CCCN(C)[C@H]2C1 1775981841 JAXAAVHECGZPTK-HNAYVOBHSA-N 393.557 1.102 0 50 GDAA O=C(NCCN1CCC[C@H](O)C1)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 11813134 KWPYJKZEQDOGCC-HNNXBMFYSA-N 397.401 1.532 0 50 GDAA COCCNC(=O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1 12191378 GPMKXHHHYUGNTC-UHFFFAOYSA-N 377.489 1.788 0 50 GDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCN(c2ccccc2)CC1 12307797 YNCFMMJJIYVSNI-UHFFFAOYSA-N 383.500 1.398 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 12448467 KHRMDNZYTHGMAG-NRFANRHFSA-N 392.503 1.726 0 50 GDAA Cc1nc(N2CCC(C(=O)NC[C@@H]3COCCO3)CC2)nc2ccc(F)cc12 14880322 NHMRYUBHJLHNNB-MRXNPFEDSA-N 388.443 1.825 0 50 GDAA COC(=O)CN(C)C(=O)CC[C@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1 14886362 QOHFSWIPNKICHZ-IBGZPJMESA-N 380.416 1.437 0 50 GDAA Cc1nc(-c2cn([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nn2)no1 169780504 TTWWTSSUKANKHH-ZDUSSCGKSA-N 382.380 1.843 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCN(c3ccc(F)cn3)[C@H](C)C2)cc1 1857676932 MTUIBDAKYWZODE-CQSZACIVSA-N 395.442 1.785 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3sc(C)nc3C)CC2=O)s1 1857721688 BIJBCQAKDZIDIJ-JTQLQIEISA-N 381.483 1.427 0 50 GDAA Cc1nc(N)sc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 212648450 KUHXBUOOJZZVJF-OCCSQVGLSA-N 388.497 1.453 0 50 GDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 237538179 WESYXKXCIUPVJY-UWVGGRQHSA-N 391.287 1.721 0 50 GDAA CCC1(CC)CCN(c2nccc(N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)n2)C1 252311075 SCPZCUNHGNRQSI-CABCVRRESA-N 379.530 1.068 0 50 GDAA C[C@]1(NC(=O)c2cc3c(nc2O)CCCC3)CC2(CCNCC2)OC[C@@H]1O 1704299304 QBPMXKWOPIKZIO-LPHOPBHVSA-N 375.469 1.058 0 50 GDAA O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CNCC[C@@]12CCOC2 1875277316 WFGLNXUKQSKCSI-SBHAEUEKSA-N 391.487 1.331 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2cn3ccc(C)cc3n2)N(c2cc(C)ncn2)C1 1875392041 DUIPIXXPFAPCRQ-HOTGVXAUSA-N 380.452 1.765 0 50 GDAA Cc1cnc(CC(=O)N[C@H]2CCN(C(=O)c3cccc4[nH]ncc34)C[C@@H]2O)s1 1875358301 QQVQDYGHKLWSAH-HOTGVXAUSA-N 399.476 1.262 0 50 GDAA O=C(N[C@@H]1CNCC[C@@H]1CO)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1875305661 WVXJZMCXQSBFOT-TZMCWYRMSA-N 395.385 1.939 0 50 GDAA CCN1CC[C@@H](N2CCC(CCNC(=O)C[C@@H](OC)C(F)(F)F)CC2)C1=O 2325793418 SUWIVCQPRFCGNI-HUUCEWRRSA-N 393.450 1.793 0 50 GDAA CC[C@]1(C)CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)c2cscn2)C1 2332237725 JGDCFCHTEFBPDF-SUYBPPKGSA-N 399.538 1.325 0 50 GDAA Cn1cc(CN2CC3(C[C@@H](NC(=O)c4ccc(F)c(F)c4)c4nccn43)C2)cn1 2332237870 PDTRCIUXWOPNMQ-QGZVFWFLSA-N 398.417 1.981 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 661254 XUUFSXHJSIOGFF-UHFFFAOYSA-N 393.490 1.886 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccccc1 4808722 XGZZXULYTSLCPX-QIPHDZALSA-N 391.452 1.803 0 50 GDAA COc1cccc(CN2CCSCC2)c1OC[C@@H](O)CN1CCOCC1 11720712 OFPFLUSZNFAUMZ-KRWDZBQOSA-N 382.526 1.316 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCOCC2)c(F)c1 11817082 CLFUTBSAWVRDAH-GOSISDBHSA-N 393.459 1.162 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN2CCSCC2)c1 12074300 VXFVZGLTUXBAGD-GOSISDBHSA-N 396.553 1.440 0 50 GDAA COc1cccc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)c1OC 12226603 DENCPNCKCZQVHC-UHFFFAOYSA-N 387.484 1.754 0 50 GDAA CN(Cc1ccn[nH]1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 12440310 SWONERSJJHLOCT-SFHVURJKSA-N 376.526 1.830 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1c(C)n[nH]c1C 12836063 MDFMAZHMFPPBJH-HXUWFJFHSA-N 397.523 1.727 0 50 GDAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCC(=O)OC)C2 14748138 YWKHDQHJQONYSN-OAHLLOKOSA-N 376.501 1.929 0 50 GDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)C(C)C 14957940 QUSAWVSLSNRHNA-QGZVFWFLSA-N 383.439 1.539 0 50 GDAA CN(C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)[C@H]1CCOC1 19742802 SPWSDZGTAIKFGO-SFHVURJKSA-N 384.480 1.853 0 50 GDAA Cc1cc(NC(=O)C(=O)NCCCN2CCOCC2)ccc1Br 19831247 PUHGMBUASUXTCP-UHFFFAOYSA-N 384.274 1.535 0 50 GDAA CCN(Cc1ccncc1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 55098991 HPQJDWLHINHVQY-QGZVFWFLSA-N 378.498 1.883 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)Cc3cnccn3)C2=O)c1 67643628 NFCQHXISYVUYEO-FQEVSTJZSA-N 388.443 1.610 0 50 GDAA O=C1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CCN1 71757158 AIAPPLYHODOELB-IBGZPJMESA-N 399.539 1.107 0 50 GDAA Cn1ncc2c(N3CCN(CC4CC4)[C@H](CCO)C3)nc(-c3ccncc3)nc21 72121099 DABLTADEAWNEDL-QGZVFWFLSA-N 393.495 1.708 0 50 GDAA CCN1CCN(CCCN2CC3(CCN([C@H]4CCSC4)CC3)OC2=O)CC1 72436534 ZEWQNBNNTQXZDA-SFHVURJKSA-N 396.601 1.806 0 50 GDAA O=C(NC(CO)CO)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77357310 RPBGJKPJKKIMRT-UHFFFAOYSA-N 387.480 1.801 0 50 GDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCC1)CC2 77440766 DGVFVEWGDHPYGO-CQSZACIVSA-N 380.510 1.811 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CCN(Cc2ccco2)CC1 77518274 GXQKXEXFGPLYCD-UHFFFAOYSA-N 381.436 1.280 0 50 GDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 95386732 XBGBFSRZSMZNMK-DZGCQCFKSA-N 386.901 1.910 0 50 GDAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)CC1 95510753 NPENLVFIAGTWFF-KRWDZBQOSA-N 375.517 1.146 0 50 GDAA COCC(=O)Nc1cccc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)c1 96136160 ACXFZIOFBXPYBH-UHFFFAOYSA-N 388.428 1.313 0 50 GDAA CCn1cc(NC(=O)N2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)nn1 96138250 VMXCLFGDYCUAHZ-UHFFFAOYSA-N 384.366 1.769 0 50 GDAA CSCCC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 96160504 XMPLLQPZCKNJDS-UHFFFAOYSA-N 380.562 1.022 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 96165664 HDQLZUNPHYURPO-AWEZNQCLSA-N 384.440 1.635 0 50 GDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C(C)C)C1CCOCC1 121449134 FVMLBDQJDHWPHL-UHFFFAOYSA-N 387.484 1.794 0 50 GDAA Cc1nnc(S(=O)(=O)CC(=O)NCc2ccccc2)n1Cc1ccccc1 121489213 JWNZGHLHVCRCGW-UHFFFAOYSA-N 384.461 1.725 0 50 GDAA O=C(N[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@@H]1CCCNC1 170676353 AODXHUXUPPIWLL-IUODEOHRSA-N 395.301 1.565 0 50 GDAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 193312316 XHXONTDHCNHKQY-NSHDSACASA-N 375.853 1.064 0 50 GDAA CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)c1c(F)cccc1F 245886346 CVZUAMLYYXKDRK-GDZNZVCISA-N 383.439 1.758 0 50 GDAA CC(=O)N1CCC[C@H](C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 248091324 VOCDVYPBWXTXDY-SFTDATJTSA-N 386.540 1.740 0 50 GDAA C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 248120174 UWPKGLYQRHQFBY-RXYDEIHYSA-N 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Cc1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1NC(=O)CN(C)C 426387225 HQBGGFSWTQOXDF-UHFFFAOYSA-N 375.473 1.629 0 50 GDAA Cc1nn(CCC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c(C)c1C 426628254 MUKYDFVQRQYKMP-IAGOWNOFSA-N 377.514 1.407 0 50 GDAA COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1O 436825591 DRCMDYRJFVBTLR-CQSZACIVSA-N 396.399 1.945 0 50 GDAA CCOC(=O)c1ccc(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)nc1 791852342 JDDXLJOUEHCMBM-UHFFFAOYSA-N 392.380 1.125 0 50 GDAA O=C(CCc1cccnc1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005966 WLRBBYYIXJACLM-UTCTYZAISA-N 376.504 1.698 0 50 GDAA Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 888077603 KWVJTUBBEVOZDC-ZDUSSCGKSA-N 385.445 1.794 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1 888096132 LQPWNCVBNLLIKR-OALUTQOASA-N 398.463 1.814 0 50 GDAA Cn1cc(-c2noc([C@H]3CCc4nnn(C5CCCC5)c4C3)n2)c(O)nc1=O 952894265 MRZIAIBYTUYDNE-JTQLQIEISA-N 383.412 1.515 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 1073365994 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1857710813 RCFGBVMWVLGZDY-ZWKOTPCHSA-N 383.496 1.456 0 50 GDAA NC(=O)c1ccc(C(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)cc1 1857716017 SDXGBXCRNXYWPS-JZJXAQOMSA-N 383.492 1.937 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccc3nn[nH]c3c2)cc1OC 1857735578 SGOUXMZEPHVWHH-OALUTQOASA-N 398.419 1.550 0 50 GDAA O=C(COCc1ccccc1)N[C@@H]1C[C@H](C(=O)NCc2cccnc2)C[C@H]1O 1875246126 ZEMLLQVMXKRGQU-IPMKNSEASA-N 383.448 1.170 0 50 GDAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 247704317 CEIJFEGBUDEYSX-WNRNVDISSA-N 383.496 1.410 0 50 GDAA COCCN1C[C@H]2CN(C(=O)Cc3ccc(SC)cc3)C[C@@]2(C(=O)O)C1 247846163 MVKOQPMJZHWGSD-KXBFYZLASA-N 378.494 1.442 0 50 GDAA O=C(Cc1c[nH]c2ccc(Br)cc12)N1CC(=O)N2CCOC[C@@H]2C1 2325786834 HVVZFQBRHZMHSI-ZDUSSCGKSA-N 392.253 1.543 0 50 GDAA Cc1ccc2c(c1)N[C@@H](C(=O)NCc1nc(C3CC3)cs1)NS2(=O)=O 2325862318 PSFGWIMWZZDVEG-OAHLLOKOSA-N 378.479 1.675 0 50 GDAA Cc1nnnn1CC(=O)N1CC(N(C)C(=O)C[C@H](C)c2c[nH]c3ccccc23)C1 2325869560 UDZLYMMSNKMDNH-ZDUSSCGKSA-N 395.467 1.326 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)CC2)c1 2325885790 VRLVPYBSQJDVJE-QGZVFWFLSA-N 391.493 1.841 0 50 GDAA CN1C(=O)c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2C1=O 1122598 REKUSVHDMMOZND-UHFFFAOYSA-N 383.385 1.768 0 50 GDAA Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)s1 1839356 DKVDQIFTSQAQEN-UHFFFAOYSA-N 386.462 1.783 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCO[C@@H](c4nnnn4C)C3)ncnc21 2356134017 SSJBZLWZQDCKQF-OAHLLOKOSA-N 399.503 1.926 0 50 GDAA O=C(NCc1nc2ccccc2[nH]1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356138049 GCIQFKBDPHJHJK-UXHICEINSA-N 391.431 1.705 0 50 GDAA O=C(OCCCc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6497140 AAZOSHHNAXKMFN-UHFFFAOYSA-N 390.461 1.892 0 50 GDAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1I 10111642 VNOLDTQYEHEKNF-UHFFFAOYSA-N 384.239 1.140 0 50 GDAA COc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1-n1nnnc1C 110369136 VCABFKNQPGBWDO-UHFFFAOYSA-N 394.435 1.667 0 50 GDAA CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 225411806 BYSOIXKULQZMAV-HZPDHXFCSA-N 379.482 1.066 0 50 GDAA COc1cc(O)cc(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1 225564682 LOBGINZOEXQRGQ-UHFFFAOYSA-N 381.362 1.671 0 50 GDAA CC(=O)NCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1 67981932 FOXLUYKXPVJQRV-ZWOKBUDYSA-N 390.484 1.196 0 50 GDAA Cc1csc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 67674407 BUWMMRYDDICFGM-QGZVFWFLSA-N 392.569 1.987 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12 4270907 ZRLVQQUZWRHCTL-QZTJIDSGSA-N 384.480 1.283 0 50 GDAA biogenic O=C(c1cnc(-c2cccnc2)nc1)N1CCN([C@@H]2CN3CCC2CC3)CC1 77343861 DDDWYVDVVBUNOY-LJQANCHMSA-N 378.480 1.391 0 50 GDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 363197647 QZFPZZDRUSPYGJ-IBGZPJMESA-N 380.448 1.512 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)c[nH]2)[C@H]3C1=O 77471322 FVMOMSNQDOBZPC-DKXUYOFUSA-N 386.496 1.895 0 50 GDAA CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1 364150925 PQHNAOVHRVXBMW-JXFKEZNVSA-N 389.452 1.580 0 50 GDAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCO2 375454569 WPSSLIFQRQKJBB-QINHECLXSA-N 376.453 1.648 0 50 GDAA CCCN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CCCC[C@H]1O 72115995 SLDOYPVPDXQHIF-HZPDHXFCSA-N 375.535 1.047 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)COc2ccc(Br)cc2F)CCO1 262304171 OZKYHBMNHHONJY-JTQLQIEISA-N 376.178 1.669 0 50 GDAA O=C(C[C@@H]1CCCN1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262654782 WRXQMFPAMGZFGH-LBPRGKRZSA-N 395.510 1.388 0 50 GDAA CN(C)CCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)CC1 173409401 ZPLVJUYJORZFPK-IBGZPJMESA-N 387.528 1.076 0 50 GDAA Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 223163454 PFTXNNDGKVBXRU-UHFFFAOYSA-N 384.465 1.205 0 50 GDAA CCCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 222491232 QBOHWQLGNSFLNE-HZPDHXFCSA-N 380.470 1.341 0 50 GDAA CNC(=O)c1n[nH]c2c1CN(C(=O)NCc1nc(C)c3c(n1)CCCC3)CC2 426436503 GOWUFSQJNDOWDG-UHFFFAOYSA-N 383.456 1.014 0 50 GDAA COCCc1noc([C@@H]2CCCN(Cc3cc(=O)n4ccc(C)cc4n3)C2)n1 244691872 JKLMFAUMTSUGIO-OAHLLOKOSA-N 383.452 1.954 0 50 GDAA COC(=O)c1cn(CCNC(=O)c2nc3ccccc3s2)cc2c(=O)[nH]nc1-2 263588861 ZICNARXAUJGBNL-UHFFFAOYSA-N 397.416 1.503 0 50 GDAA O=C(c1ccc(-c2cnn(CCO)c2)cc1)N1CCN(C2CCCC2)C(=O)C1 534581347 MEVIBOZRJQNDRX-UHFFFAOYSA-N 382.464 1.769 0 50 GDAA O=C(CCN1CCCN(c2ncccn2)CC1)Nc1ccsc1C(=O)O 299764723 DDQQXYLCNOZXMB-UHFFFAOYSA-N 375.454 1.777 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)ccc21 267515378 DBOKBGKHKJXFMB-SFHVURJKSA-N 390.465 1.091 0 50 GDAA CS(=O)(=O)N1CCn2nc(CNC(=O)Cc3ccccc3Cl)cc2C1 299798781 SNHSCGPUWPPQEB-UHFFFAOYSA-N 382.873 1.171 0 50 GDAA COc1ccc(C(=O)NC[C@@H]2CCCN(Cc3nnc(C)s3)C2)c(OC)n1 952972417 COMSDGYKHCWXQQ-ZDUSSCGKSA-N 391.497 1.901 0 50 GDAA COCCNC(=O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1C 952966580 IHJGLDPUSPDBHZ-UHFFFAOYSA-N 380.408 1.599 0 50 GDAA Nc1nc2c(c(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)n1)CCCC2 952988484 OLAXGHPAGAJSQI-UHFFFAOYSA-N 390.447 1.591 0 50 GDAA O=C(O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 275087328 JRJFQKTXGGPNRO-QGZVFWFLSA-N 381.498 1.551 0 50 GDAA CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 170598643 IAJFNMDMLJNIDJ-UHFFFAOYSA-N 391.496 1.259 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4cccc5cc[nH]c45)C[C@@]3(CO)C2)no1 1772703530 GLAYPSCVLMZVER-VFNWGFHPSA-N 394.431 1.671 0 50 GDAA O=S(=O)(CC1CCCC1)N1C[C@@H]2CN(CCCn3cccn3)C[C@@]2(CO)C1 1772811304 SEHMZQFJQWZYDZ-OALUTQOASA-N 396.557 1.019 0 50 GDAA CC(=O)NCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11813071 HXANXDGLVVNTJA-CQSZACIVSA-N 385.386 1.696 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)n1 12432606 ZPKQKBPJFPHVFJ-QGZVFWFLSA-N 381.480 1.628 0 50 GDAA C/C=C(\C)C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 14889140 TTZRFQJXQNJDNZ-CRKCGEKBSA-N 382.468 1.273 0 50 GDAA O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCOCC1 19860678 IHTDQJGOVBNSPC-HNNXBMFYSA-N 386.901 1.741 0 50 GDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCCCN1CCCC1=O 1857695718 VMBQWKINWWAUNW-HNNXBMFYSA-N 385.468 1.958 0 50 GDAA O=C1C[C@H]2N(Cc3cnc(=NCc4ccccc4)[nH]c3)CC[C@]23OCCCN13 1857727621 WQAJIZHXEMLAQR-NQIIRXRSSA-N 379.464 1.434 0 50 GDAA CCC(=O)N1CCC[C@@]2(CCc3c2nc(C)[nH]c3=NCc2nnc3n2CCC3)C1 1857728813 NDANNUPYYOJFIS-OAQYLSRUSA-N 395.511 1.573 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)NCc1cccnc1-n1cncn1 1857730191 LJVULWCLHDPOMA-UHFFFAOYSA-N 385.453 1.194 0 50 GDAA CCC(CC)CN1C[C@@H]2[C@H](CNC(=O)CN(C)CCOC)[C@H]3CC[C@]2(C1)O3 1857733638 RWCLWAXJMPIMLB-QEUVDIPISA-N 381.561 1.596 0 50 GDAA Cn1nc(S(C)(=O)=O)c2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc21 447394778 IFYBJIIETGUOJK-UHFFFAOYSA-N 387.248 1.889 0 50 GDAA CC1(C)C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 130520943 ZDFXZVYEHFWJLD-UHFFFAOYSA-N 378.475 1.932 0 50 GDAA CNc1ncccc1C(=O)N1CC[C@@H](C)N(C(=O)c2cccnc2NC)CC1 1875274576 KAIYQYSESWYZQO-CQSZACIVSA-N 382.468 1.937 0 50 GDAA COC(=O)/C=C/C(=O)N1CCC[C@@H](c2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875380043 CXBWPYNLWBZYAM-JIVBQCDMSA-N 386.374 1.838 0 50 GDAA C[C@H](Cn1cnc2c(cnn2C)c1=O)NC(=O)Nc1cn(C)nc1C(F)F 1875308706 SNGGSOKWCKOPHR-MRVPVSSYSA-N 380.359 1.011 0 50 GDAA COC(=O)c1cccc(O[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C2)c1 1875312442 CKWHNXOUZHEJGL-OAHLLOKOSA-N 381.392 1.513 0 50 GDAA CC(C)n1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2CC3CCC2CC3)nn1 1775992278 QJDABNGEKLMWAI-SJJHQCBESA-N 389.500 1.643 0 50 GDAA CN(C)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 182677347 HJBLXYPMUDJAOE-UHFFFAOYSA-N 398.488 1.921 0 50 GDAA CS(=O)(=O)N1CCC(NCc2c(-c3ccccc3)nc3ncccn23)CC1 2325773856 NOBLGZHHASDKSW-UHFFFAOYSA-N 385.493 1.910 0 50 GDAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cnn(CCN3CCOCC3)c1)C2 2325803131 RWBKAVROMMEFCY-UHFFFAOYSA-N 397.523 1.475 0 50 GDAA O=C1CC[C@@H](N2C(=O)C=C(N3CCc4cc(C(F)(F)F)ccc43)C2=O)C(=O)N1 2325900182 NZWLEOOMJZHIFB-GFCCVEGCSA-N 393.321 1.126 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2sc(N3CCOCC3)nc2C)CC[C@H]1O 2356133823 GLXNVIXOLJNWSO-FZKQIMNGSA-N 397.497 1.366 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CSc3nncn3C)C1)CC2 2356158217 FNJQLJFLZWFKQI-SFHVURJKSA-N 387.513 1.270 0 50 GDAA CCOC(=O)[C@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)C1 245382208 HTGGXUPGWCGPHA-ROUUACIJSA-N 388.464 1.388 0 50 GDAA Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cnn1C 2800341 VHZZFQSLRVJEMB-CYBMUJFWSA-N 380.445 1.907 0 50 GDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@H](CO)[C@H](c2ccsc2)C1 328608850 BLNWXWRCGBGPCC-HIFRSBDPSA-N 381.475 1.916 0 50 GDAA O=C(CCNS(=O)(=O)c1cccc2scnc12)NCc1ccccn1 253419609 QGNWTXFLJFZMHO-UHFFFAOYSA-N 376.463 1.676 0 50 GDAA Cc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c(C)c1C 72140436 MLPVLZZBFKJLFT-KRWDZBQOSA-N 379.460 1.798 0 50 GDAA COc1ccc(-n2ncc(C(=O)N3C[C@@H](C)N[C@H](C)C3)c2C(F)(F)F)nn1 154030575 ZOKWPPXMHMLMBL-NXEZZACHSA-N 384.362 1.512 0 50 GDAA COCc1nocc1C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 487078602 NEUXHOSMDFBNHP-UHFFFAOYSA-N 383.401 1.430 0 50 GDAA Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3noc4c3CCCCC4)no2)cn1 329988813 HMWPLCPPRIMMFK-CQSZACIVSA-N 398.423 1.941 0 50 GDAA Cc1nnc(COCC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)s1 367633143 HGYWJJASCNWVST-LBPRGKRZSA-N 378.458 1.139 0 50 GDAA COc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1Cl 125054245 WUIWRCKQEXDIDK-INIZCTEOSA-N 394.903 1.797 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3scnc3C)CC2)C1 71759172 FANTUROZWWBYNG-HNNXBMFYSA-N 394.541 1.531 0 50 GDAA Cc1nc(NCCNC(=O)Cn2cnc3ccccc32)cc(N2CCOCC2)n1 72441264 HMHKWSODGVUMLR-UHFFFAOYSA-N 395.467 1.200 0 50 GDAA O=C([C@H]1CC[C@@H](C(=O)N2CCOC[C@@H]2C2CC2)C1)N1CCOC[C@@H]1C1CC1 334050742 RQUBUQVUJLFDNM-FCGDIQPGSA-N 376.497 1.678 0 50 GDAA CC(C)(CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1cccc(Br)c1 172740862 KXNGUKOXHIRTKL-UHFFFAOYSA-N 381.230 1.116 0 50 GDAA CCN(C)C(=O)[C@H](C)NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 241634628 PNXAACRUNDSPGE-ZDUSSCGKSA-N 386.456 1.887 0 50 GDAA CCC[C@@H]1CN(c2nc3cc(C(=O)OC)ccc3n2C)C[C@H]1NS(C)(=O)=O 82137712 FFTYGHODSNVKRQ-UKRRQHHQSA-N 394.497 1.514 0 50 GDAA Cc1cc(-c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c2)nc(N)n1 48090875 FRJLCAIOCKFKAA-UHFFFAOYSA-N 389.423 1.665 0 50 GDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 225759775 OYNBLHHNRRTGQJ-WCVJEAGWSA-N 394.449 1.288 0 50 GDAA C[C@]1(O)CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 177377737 PHTMSQRSCGSZQZ-INIZCTEOSA-N 398.389 1.343 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2ccc3occc(=O)c3c2)C1 96165359 SAGSCQBXSISPKZ-GFCCVEGCSA-N 379.438 1.586 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCNC(=O)c2ccc(F)cc2)on1 96130403 NBMWOVKJBNPEDS-PBHICJAKSA-N 375.400 1.616 0 50 GDAA COc1cccc(OC[C@@H](O)CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1 91651390 IXCYLJBSITZQIB-LBPRGKRZSA-N 375.425 1.246 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H](O)CC(C)C)CC2 95375179 MIFYCEMHMXYJKK-OAHLLOKOSA-N 375.473 1.046 0 50 GDAA Cc1nnc(SCCNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)s1 95356190 JQODXQURFXSLTB-UHFFFAOYSA-N 377.451 1.425 0 50 GDAA C[C@@H]1Cc2ccccc2N1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 244866471 VWSMAKVMGQCINU-WBVHZDCISA-N 379.526 1.616 0 50 GDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 299752874 VVRDYQZHKUVSSV-FUHWJXTLSA-N 379.416 1.468 0 50 GDAA CCc1noc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 670445124 JXULZSPRNJVMAQ-JTQLQIEISA-N 384.483 1.969 0 50 GDAA COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(N)nc3)CC2=O)cc1OC 269150370 NNJANSWIPVMQHD-AWEZNQCLSA-N 384.436 1.711 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1ccn(C)n1 782628716 ZMYBKYOMOLQJDO-UHFFFAOYSA-N 387.845 1.146 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3c4c(nc5onc(C)c35)CCC4)C[C@@H]2O)on1 1704343541 JANMXNRVKQJMOB-WBMJQRKESA-N 382.420 1.992 0 50 GDAA Cc1c(Cl)cccc1NC(=O)C[C@H]1Cc2c(n(C)c(=O)n(C)c2=O)NC1=O 1848442761 IJYJNRQLVJLUSZ-SNVBAGLBSA-N 390.827 1.185 0 50 GDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@]2(CN(C)C)C1 1772711159 WHHXJKQRSLJICV-LIRRHRJNSA-N 397.491 1.790 0 50 GDAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)s1 12299326 SFJLIODZZGZSQW-MRXNPFEDSA-N 391.537 1.966 0 50 GDAA CCc1nccn1CCC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)N2CCCC2)C1 1857682629 XYXPOKGWSJIZPD-UWJYYQICSA-N 387.528 1.571 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857697322 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Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)on1 95371628 KZPGSADTGFBAQN-YPMHNXCESA-N 388.449 1.885 0 50 GDAA CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CCCc2c1cnn2C 180883679 IGBDPLBBSZGWSM-MRXNPFEDSA-N 378.498 1.200 0 50 GDAA CN1C(=O)Cc2cc(S(=O)(=O)N3[C@H]4C=C(c5ccnn5C)C[C@H]3CC4)ccc21 295844565 DHGBWHGJOACDEG-HZPDHXFCSA-N 398.488 1.948 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3nnc(C)o3)OCC(=O)N2C2CC2)cc1 1940197646 FSNJMKGEHDARPK-MSOLQXFVSA-N 386.408 1.134 0 50 GDAA Cc1cc(N2CCC[C@H](CNC(=O)c3cn(-c4ccccc4)nn3)C2)nc(N)n1 825149708 ORRQVEVAIUQOHX-OAHLLOKOSA-N 392.467 1.594 0 50 GDAA O=C(Cn1nnnc1N1CC[C@@H]([C@@H]2CCOC2)C1)N1CCc2ccccc2C1 1337386035 MARQPYKHDWNMNW-QZTJIDSGSA-N 382.468 1.121 0 50 GDAA Cc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565514108 UCDZOBRNGSRWAX-SJORKVTESA-N 380.448 1.927 0 50 GDAA Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2=O)cc1 191621237 MVJXWZBWMUPIKZ-LJQANCHMSA-N 390.447 1.431 0 50 GDAA CCNC(=O)[C@H](C)NC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704326236 YVSMCIRJOGIVTJ-JTQLQIEISA-N 378.404 1.810 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C(=O)N4CCCC4)CCN(C)C[C@H]23)n1 1775982539 RJHOEOWTDFOBNC-GHTZIAJQSA-N 387.528 1.435 0 50 GDAA CCNc1ncc(CN2C[C@H]3COC[C@@H]2CN(Cc2ccc(C)cn2)C3)cn1 1772701001 LQSDHGQBSJEDJN-ICSRJNTNSA-N 382.512 1.945 0 50 GDAA COCC1(C(=O)N2C[C@@H]3CN(C(=O)CN)C[C@@]3(CCc3ccccc3)C2)CCC1 1772700775 FCNVYKUYIMGHDA-CVDCTZTESA-N 399.535 1.682 0 50 GDAA O=C(c1cn(C2CCCCC2)nn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 12373143 OXDYLKQASCKFKN-OAHLLOKOSA-N 375.473 1.494 0 50 GDAA O=C(c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CCN(CC2CC2)CC1 12433874 JHBNQPWWDAUBMJ-UHFFFAOYSA-N 384.436 1.885 0 50 GDAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14535675 ZMPGAKGHEQWVQR-ZWKOTPCHSA-N 387.455 1.948 0 50 GDAA O=C([C@@H]1CCc2ncnn2C1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1857700468 IEQBAWZYEUDAGI-SECBINFHSA-N 387.391 1.060 0 50 GDAA COC(=O)CCCC(=O)N1CCC[C@]2(CCc3c(O)nc(N(C)C)nc32)C1 1857701833 QXNDHDXLNYJDMX-IBGZPJMESA-N 376.457 1.398 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC[C@]23OCCCN13 1857732354 MVVLQVAAWUZBGS-HIFRSBDPSA-N 390.383 1.817 0 50 GDAA Cc1nc(CC(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)cs1 1857735699 HBKHEVBONNGFFT-JRBPQWBISA-N 391.537 1.769 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 363170937 PTGHICNDAWDDNZ-VQIMIIECSA-N 397.458 1.729 0 50 GDAA C[C@@H](CO)C1CCN(C(=O)NCCN2Cc3ccccc3OCC2=O)CC1 924524340 BFQCEIJWYFAKDZ-HNNXBMFYSA-N 375.469 1.458 0 50 GDAA Cc1nn(CCO)cc1-c1noc(-c2ccc(N3CCN(C)CC3)c(F)c2)n1 1875290919 IQMXQYADHIGOLM-UHFFFAOYSA-N 386.431 1.792 0 50 GDAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1csc(Cl)c1)C2 1875395756 LCXKXOHZYGDGLO-JTQLQIEISA-N 376.887 1.119 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)C2=NO[C@H](c3ccccc3)C2)C1 1875389322 JYTXCANYLDAORP-KRWDZBQOSA-N 380.404 1.920 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H]3CCCc4oc(C)nc43)C2)n1 1875397537 DBHDLKRCJKLOKJ-CABCVRRESA-N 384.484 1.995 0 50 GDAA CO[C@@H]1C[C@H](N(C)c2ncnc3c2ncn3C[C@@H](O)[C@H]2CCCO2)C12CCC2 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COC(=O)c1sccc1S(=O)(=O)N1CCC(O)(c2ccc(C)cn2)CC1 67896066 IFJBXLKOLSHDKP-UHFFFAOYSA-N 396.490 1.910 0 50 GDAA CC(C)CS(=O)(=O)c1ncc(CN2CC[C@H](O)C2)n1Cc1ccccc1 20388779 RRGYVCSTABPVQG-SFHVURJKSA-N 377.510 1.928 0 50 GDAA C[C@H](O)CN1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C 246681430 ITDKYIUOQWQPNN-SQNIBIBYSA-N 392.519 1.250 0 50 GDAA CCn1c(CN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)nc2c(F)cccc21 279392746 YVNQEKZRVNFMQJ-INIZCTEOSA-N 391.472 1.901 0 50 GDAA O=C1N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCc1cn[nH]c1 67673453 IEZCJUYSVSSEHH-HXUWFJFHSA-N 385.443 1.624 0 50 GDAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cn(CCN)nn3)CC2)c1 67821068 WHMYOVDEYGSYJI-UHFFFAOYSA-N 379.468 1.955 0 50 GDAA CNC(=O)C(C)(C)NC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67490710 ZGMRLTDEZJOXEB-NRFANRHFSA-N 375.513 1.778 0 50 GDAA CNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)o1 120224969 XCTUIKMRQVTFSO-UHFFFAOYSA-N 378.454 1.503 0 50 GDAA CC(C)[C@H]1CN(C(=O)CN2CCNCC2)CCCN1Cc1ccc(F)cc1 71776395 YMPMAWMIBCAKHZ-HXUWFJFHSA-N 376.520 1.790 0 50 GDAA C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 363349915 SOKYQIRXFVHUJS-MRXNPFEDSA-N 394.541 1.025 0 50 GDAA O=C(CN1CCC[C@H]1C1CC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 377533135 FRELQJHLIQHHEM-KRWDZBQOSA-N 390.509 1.970 0 50 GDAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)N=C1C 223159128 ASKSHCJHPDBMOH-LJQANCHMSA-N 382.424 1.018 0 50 GDAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCCCC3)CC2)n1 426394477 DKCOJNUZCORYIG-MRXNPFEDSA-N 375.517 1.839 0 50 GDAA O=C(c1ccc(-c2ccc(O)c(CO)c2)cc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 426410743 SEIVCOKAUYXZAB-BTYSMDAFSA-N 383.444 1.755 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N(C)C)s1 19836157 YNWIMEZMETXSCA-GFCCVEGCSA-N 390.465 1.041 0 50 GDAA Cc1cc(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)c2cccc(C)c2n1 97716818 NPWCVJFQIIYSKC-AWEZNQCLSA-N 377.466 1.242 0 50 GDAA O=C(CCC1CCNCC1)N1CCN(C(=O)COc2ccc(F)cc2)CC1 237860114 MDUXDHAOGPHUAH-UHFFFAOYSA-N 377.460 1.655 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2ccco2)c1)N1CCSCC1 95387734 MTYHNHSWRZBGCR-UHFFFAOYSA-N 380.491 1.990 0 50 GDAA NC(=O)c1ccc(CNC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 179299720 LJSNMCYHIONFLD-QGZVFWFLSA-N 380.448 1.633 0 50 GDAA Cc1cc2c(cc1NC(=O)N1CCC[C@H](C(=O)N3CCOCC3)C1)OCCO2 97742692 HOVXTUVDWZSRSP-HNNXBMFYSA-N 389.452 1.869 0 50 GDAA CN(C)CCn1ccnc1C1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 95498994 CSHXMAWXWUSRJU-QGZVFWFLSA-N 385.516 1.190 0 50 GDAA COC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)C1 95372849 RAHRXCZGGVPUAC-CQSZACIVSA-N 382.482 1.110 0 50 GDAA Cc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)[nH]c2-c2ccccn2)cc1 67974273 DBYNKGVBRPHSJH-WBVHZDCISA-N 377.448 1.786 0 50 GDAA Cn1cnnc1Sc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)o1 825647816 QMOHJMISZKWWQL-UHFFFAOYSA-N 396.480 1.924 0 50 GDAA Cn1ccnc(N2CCC[C@H](NCc3ccccc3N3CCOCC3)C2)c1=O 275399720 CJVMGDRRLAOCNL-SFHVURJKSA-N 383.496 1.376 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(Cc2cnn(C)c2)C2CC2)OCC(=O)N1C 1529101824 NDSNOJBOQVETAW-UXHICEINSA-N 382.464 1.818 0 50 GDAA COc1cccc(CN2C[C@H]3CN(CCn4cc(Cl)cn4)C[C@@]3(CO)C2)c1 1772812218 JBUVNHKBIGYQEX-XLIONFOSSA-N 390.915 1.971 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCNC(=O)CC2)n1Cc1ccccc1 11663198 RCXROGGZXRZJAN-UHFFFAOYSA-N 376.482 1.047 0 50 GDAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1nc(C)c[nH]1)CCO2 11911853 QKNCEWRFYBUADG-SFHVURJKSA-N 383.496 1.823 0 50 GDAA COc1cc(CNCCn2cccn2)ccc1OC[C@@H](O)CN(C)C(C)C 12049972 IXHJOKXVOWUYOK-SFHVURJKSA-N 376.501 1.761 0 50 GDAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3ccsc3n1)CC2 14534077 PRSWXESIELOAMU-UHFFFAOYSA-N 398.492 1.951 0 50 GDAA O=C(Cn1cccn1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2cscn2)C1 1857729767 SHFZPDFGGOWYSK-DZFIZOCASA-N 387.509 1.764 0 50 GDAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(C(F)(F)F)cc1C(F)(F)F 1875242293 RBDPERVHXWJERR-IRCOFANPSA-N 385.260 1.981 0 50 GDAA CN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3nnnn3C)c2)[C@H]1c1cnn(C)c1 115206404 SWJFEOOTYQNNQB-NVXWUHKLSA-N 394.439 1.159 0 50 GDAA NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 119047118 RBRBAHHSZGZGQP-GFCCVEGCSA-N 397.888 1.171 0 50 GDAA COc1cccc([C@@H]2C[C@H]2c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)c1 328631964 LAWHHWUTPSHBMX-RRFJBIMHSA-N 379.438 1.682 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)c1 237434340 OQMFFIBOHXHZFQ-MFKMUULPSA-N 380.919 1.539 0 50 GDAA C[C@H](Cn1cncn1)NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 822417336 KZGKACKEDUZHLN-GFCCVEGCSA-N 377.449 1.762 0 50 GDAA O=C(NCCn1cc(Br)cn1)N[C@@H]1CCO[C@H]1c1ccncc1 858452373 IERLKCNASHJAOO-KGLIPLIRSA-N 380.246 1.870 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)c3cncc(CN)c3)CC2)c1OC 1875276893 LBRQNHNOMRXKAJ-UHFFFAOYSA-N 384.436 1.156 0 50 GDAA CCN(C(=O)c1cncc(N2CCCC2)n1)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 1875309170 VUKAZIHTRZZHLG-OAHLLOKOSA-N 398.467 1.750 0 50 GDAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@@H]1CNC(=O)Cc1[nH]cnc1C)C2 1875310593 VLPCVBPGOCTNED-XLIONFOSSA-N 396.491 1.988 0 50 GDAA CCOc1cc(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)ccn1 1875397129 MTMBVOMBAVWAOL-MRXNPFEDSA-N 384.484 1.615 0 50 GDAA C=CC(=O)N1CCn2ncc(CNC(=O)c3cnc4cc(C)nn4c3C)c2C1 1875389058 AGDAZZCDKUVOAI-UHFFFAOYSA-N 379.424 1.001 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2cc3c(cc2O)OCO3)N(c2cc(C)ncn2)C1 1875393963 VZSUBTKCNCAMKN-STQMWFEESA-N 386.408 1.243 0 50 GDAA Cn1ncc2c1CCN(C(=O)c1nc(C3CC3)n(-c3ccccc3)n1)[C@@H]2C(N)=O 1875394518 LISNLGYMIWFQTJ-INIZCTEOSA-N 391.435 1.103 0 50 GDAA CSC[C@@H](C)C(=O)N1CCCCC[C@H](NC(=O)CNC(=O)C2CCC2)C1 1775991302 JHWUOGNHRHVLQZ-ZBFHGGJFSA-N 383.558 1.789 0 50 GDAA CN1CCC(c2ncc(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)C3)[nH]2)CC1 2325759920 BIOCWFWPMFPQSR-QGZVFWFLSA-N 381.480 1.750 0 50 GDAA C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNC2)c1cn(-c2ccccc2)nn1 2325858810 BGECABMPXLJNPC-ZDUSSCGKSA-N 376.420 1.686 0 50 GDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 794205 CENXCJHCGKRXDR-HOTGVXAUSA-N 396.465 1.537 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC(N4CCOC4=O)CC3)cn12 2356164436 SNKSSWJSVPZYCD-MRXNPFEDSA-N 387.440 1.476 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3nccc3C)OCC(=O)N2C2CC2)cc1 2356170101 UXYYSHWLIOUACR-UXHICEINSA-N 398.463 1.447 0 50 GDAA CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)C[C@@H](C)OC 225698391 PBROTOYISLUPPS-LLVKDONJSA-N 379.504 1.145 0 50 GDAA NC(=O)c1cccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 115157239 JIDJAHIGOCDRQJ-FQEVSTJZSA-N 381.476 1.961 0 50 GDAA Cc1ccc(-c2nc3sccn3c2CN2CCN3C(=O)CNC(=O)[C@H]3C2)cc1 65404394 ZQOOCAFJDUDAQC-MRXNPFEDSA-N 395.488 1.514 0 50 GDAA CN(c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O 22230644 SHZBZUUISCFIQI-UHFFFAOYSA-N 377.422 1.199 0 50 GDAA COCCNC(=O)c1ccc([C@H]2CCCN2C(=O)CCn2cncn2)s1 20448968 CIWAZJVLIGRBCX-CYBMUJFWSA-N 377.470 1.470 0 50 GDAA COCCN(C)CCN1CC2(CCN(C(=O)[C@@]3(C)CCCCO3)CC2)OC1=O 77407836 IJDOHUPDKZVUKO-LJQANCHMSA-N 397.516 1.337 0 50 GDAA Cc1cnccc1CN(C)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72469744 KEWKRRBVYGQCDE-AWEZNQCLSA-N 375.498 1.687 0 50 GDAA Cc1cc([C@](C)(O)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)o1 230147212 YGQWQBLNFQEKLJ-BYYRLHKVSA-N 391.468 1.721 0 50 GDAA CN(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)nc1 368638423 NOHWMOLVCQGVPY-DNVCBOLYSA-N 382.468 1.962 0 50 GDAA CC1(C)C(C(=O)N2C[C@@H](C(=O)O)C[C@H](C(=O)NCc3ccccn3)C2)C1(C)C 72170460 SIBOUJOACLTNBI-KBPBESRZSA-N 387.480 1.929 0 50 GDAA COc1cc2nc(N3CCC[C@@H](c4nc(N(C)C)no4)C3)nc(N)c2cc1OC 375702513 CBRCMKSMMCPPOW-LLVKDONJSA-N 399.455 2.062 0 50 GDAA Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 71760416 PFSBHGBWOKEVNE-QGZVFWFLSA-N 385.512 1.724 0 50 GDAA CC(C)[C@@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccc(F)cc1 71753385 YKBAPUIZDLAODB-KRWDZBQOSA-N 388.443 1.461 0 50 GDAA O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2cc(F)ccc2s1 172524927 FSXSJEGBCXSPLA-HNNXBMFYSA-N 391.468 1.703 0 50 GDAA CCCCN1CCn2nc(CNS(=O)(=O)c3ccnn3C(C)C)cc2C1 426493052 BTZCXZLMTDSZRI-UHFFFAOYSA-N 380.518 1.755 0 50 GDAA CCOc1cccc(C(=O)N2CCn3nc([C@H](O)c4nccn4C)cc3C2)c1 221363469 NBEBUUDLXIJOGA-SFHVURJKSA-N 381.436 1.753 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n(C)n1 82100128 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HVBIWQZZDJWPTD-OWCLPIDISA-N 389.481 1.649 0 50 GDAA O=C1NCCCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H]1Cc1ccccc1 294556149 WLBKNYYXLNMXQW-LJQANCHMSA-N 390.443 1.356 0 50 GDAA COc1ccc(F)cc1[C@@H](NC(=O)Cc1cnc(O)nc1O)[C@H]1C[C@@H](O)C1 253534863 MFRDNZCKAIFQHP-DUZHOBMZSA-N 377.372 1.206 0 50 GDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccnc3)N=C2O)cc1OC 252540561 PMQJDLVKFFBAQI-OAHLLOKOSA-N 398.419 1.795 0 50 GDAA O=C1CO[C@@H](CNc2ncc(Cl)cn2)CN1CC1CCN(CC2CC2)CC1 299782988 GPNLJZQUVQXPFF-KRWDZBQOSA-N 393.919 1.891 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)c2cnoc2-c2ccccc2)CC1 952869482 LQWIIKODNDFZCT-UHFFFAOYSA-N 377.404 1.798 0 50 GDAA O=C(Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)cc1)NC1CC1 952986585 GZZUUIZAQMIBSJ-KRWDZBQOSA-N 392.459 1.890 0 50 GDAA CN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 170652008 LVKFCXVWSBJHTM-LBPRGKRZSA-N 379.404 1.351 0 50 GDAA Cc1cc(N2CCC(CNC(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)cc(C)n1 1506405244 DCZWNNBPNOODJM-QGZVFWFLSA-N 387.484 1.314 0 50 GDAA CC[C@H](C(=O)N1CCCN(C(=O)CCc2csc(N)n2)CC1)n1cccn1 1529195959 SLMPFGQIXFZJOV-OAHLLOKOSA-N 390.513 1.567 0 50 GDAA COc1ccccc1CN1C[C@H](C(=O)N(CCO)Cc2cnc(C)[nH]2)CC1=O 1704315418 CTKHJUZWZBZPQY-MRXNPFEDSA-N 386.452 1.096 0 50 GDAA CN1CCN(CCNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)C1=O 1772809961 AZSXPQXQJSXMJA-AWEZNQCLSA-N 385.493 1.794 0 50 GDAA O=C(CCN1CCCO1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 11946072 ARMIWQJHIQEOBI-CQSZACIVSA-N 387.527 1.292 0 50 GDAA CCOC(=O)CN(C)C(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1 12703273 RFXWMPOQTYOGPM-UHFFFAOYSA-N 392.452 1.720 0 50 GDAA Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12835856 OJCFWZDXNAIMBR-CQSZACIVSA-N 380.518 1.237 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)=NN1 14951594 VSPLEARHORRPRZ-MRXNPFEDSA-N 382.464 1.240 0 50 GDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)N(C)CC(F)(F)F)[C@@H]2c2ccccc2)C1 1857710052 FWQFFHICFVGKLJ-ZOBUZTSGSA-N 397.397 1.828 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCc4nocc4C3)CC2=O)s1 1857716406 LEOPOCBLMKVVFI-JTQLQIEISA-N 377.426 1.000 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)o1 1857716588 BNAZKJKNUXGIKY-CDXJDZJCSA-N 380.400 1.863 0 50 GDAA COc1c[nH]c(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1=O 1857719305 JGSBBECQOPPLML-UEXGIBASSA-N 395.415 1.298 0 50 GDAA N=c1nc(-c2ccccc2)c(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c[nH]1 1857725358 SBYPALMWCQDGCW-QRWLVFNGSA-N 379.420 1.120 0 50 GDAA CN(C[C@@H](O)COC1CCOCC1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328636879 OHOKZHZCXLJKFM-ZIAGYGMSSA-N 391.434 1.953 0 50 GDAA C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 133481138 USHNZYKNXBMNCZ-WBVHZDCISA-N 391.491 1.256 0 50 GDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)[C@H]3CC[C@@H](O)CC3)C[C@@H]21 248183475 GAJSRGBWOZCXMV-OOVWBHHBSA-N 375.421 1.636 0 50 GDAA CNC(=O)[C@]1(C(F)(F)F)CCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1875362805 UFFAENVTDFBEQR-IPYPFGDCSA-N 376.400 1.873 0 50 GDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1875318620 JJGFOEUKMBSXJT-AUZPSNTRSA-N 388.390 1.918 0 50 GDAA Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cnc3ccc(F)cc3c2)n1 1875333538 ALDHKYFYRNEEKP-IAGOWNOFSA-N 396.426 1.973 0 50 GDAA CCN1CC[C@H](N(C)c2ncnc3c2ncn3C2CC(CO)(CO)C2)[C@@H](C)C1 888097874 RNHBNILKOFNIAJ-HOCLYGCPSA-N 388.516 1.299 0 50 GDAA C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1)c1ccccc1 1775990431 XIYDPNQZXIHFND-DOTOQJQBSA-N 385.464 1.389 0 50 GDAA NC(=O)c1cc2n(n1)CC1(CCN(Cc3ccc(-n4ccnc4)cc3)CC1)OC2 2325766155 INHDNZLSGZPDAM-UHFFFAOYSA-N 392.463 1.733 0 50 GDAA Cn1cc(N2C[C@@H](C(=O)Nc3ccc(-c4ccnn4C)c(F)c3)CC2=O)cn1 2325806581 YPBRBGCIJNEKKJ-LBPRGKRZSA-N 382.399 1.951 0 50 GDAA C[C@@](CO)(CNC(=O)c1cnc(C(F)(F)F)s1)NC(=O)[C@@H]1CC12CCC2 2325829513 LMFSCEUAYJQWTK-XPTSAGLGSA-N 391.415 1.949 0 50 GDAA O=C(C[C@H]1COC(=O)C1)N[C@H]1CC2(CN(Cc3cccc(F)c3)C2)n2ccnc21 2332238057 XCYKKXINVZBKAX-WBVHZDCISA-N 398.438 1.748 0 50 GDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 794204 CENXCJHCGKRXDR-HZPDHXFCSA-N 396.465 1.537 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356166752 MFLVBJLEERHMRF-FQEVSTJZSA-N 383.452 1.545 0 50 GDAA C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)NC(C)(C)C 222148228 PFQIYIYAUZXLSW-DZGCQCFKSA-N 375.469 1.848 0 50 GDAA Cc1csc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)n1 55383015 XDEOBTBJVSBOGC-HNNXBMFYSA-N 376.457 1.598 0 50 GDAA CNC(=O)CNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67872617 VQKNLZGLXGVRDO-INIZCTEOSA-N 393.491 1.711 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)NCc3cccnc3N3CCOCC3)c2n1 67774016 NIJDIQJRNADIFB-UHFFFAOYSA-N 380.452 1.816 0 50 GDAA C[C@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)c1n[nH]c(=O)c2ccccc12 67643682 FKOOGHYKQPMBFF-NSHDSACASA-N 381.392 1.354 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2ccc(-c3ccccn3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65399004 FPYXRMBPUGMQRR-OZQHCQBDSA-N 393.443 1.946 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(O)c1)C2 219895118 PQSRMIVNWUUDCE-FQEVSTJZSA-N 381.436 1.379 0 50 GDAA COCCn1c(CCNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 218446663 LSKJHHZLPXWEAM-UHFFFAOYSA-N 391.435 1.631 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 328609399 DEGXHDIKZJLBBA-CQSZACIVSA-N 376.438 1.885 0 50 GDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc(Cl)cc4c3OCC4)C2)n1 328616004 ZKQBYMQPVLNLBM-OAHLLOKOSA-N 385.829 1.249 0 50 GDAA CN1Cc2cc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccc2NC1=O 479533472 RYCMHARCOSVBAP-UHFFFAOYSA-N 396.450 1.112 0 50 GDAA O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCO[C@H](C(F)(F)F)C1 71422277 VZGZTROSYIFYDO-AWEZNQCLSA-N 392.399 1.325 0 50 GDAA CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2cc(C)cc(C(=O)O)c2F)C1 487323920 JUBIVPUBHZBBRA-ZDUSSCGKSA-N 386.445 1.759 0 50 GDAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 369384195 QRTZJSOJANXLKJ-CUSZFKRNSA-N 388.530 1.376 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCN(C)C3)c2)CC1 215017121 RURMCIHOCQBNIO-MRXNPFEDSA-N 377.510 1.709 0 50 GDAA CC(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262325952 TWMDVEWWPYOHIO-ZDUSSCGKSA-N 383.499 1.229 0 50 GDAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)c1OC 13596710 WEATYAOATRTUFF-INIZCTEOSA-N 387.436 1.304 0 50 GDAA C[C@H](CO)NC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77518787 MGVZPMJBQWFUAT-CYBMUJFWSA-N 386.839 1.851 0 50 GDAA C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(c2nc[nH]n2)CC1 378060461 PDBOULSPQMWGHC-VQIMIIECSA-N 382.512 1.763 0 50 GDAA O=S1(=O)CCC[C@H](CS(=O)(=O)NCC2(c3ccc(F)cc3)CCC2)C1 333490526 ZHZTXZWTNGXSHD-AWEZNQCLSA-N 389.514 1.992 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1ccc(N)nc1)CO2 71762199 JHNSSZQMFHJCPY-OAHLLOKOSA-N 399.451 1.266 0 50 GDAA Cn1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc4cnccc34)C2=O)n1 173702458 LJBDUGXPZXIZNB-OAHLLOKOSA-N 385.449 1.442 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCOc3ccc(CO)cc3C2)cc1 426407664 OEHZHIQWBVTZFB-UHFFFAOYSA-N 379.420 1.427 0 50 GDAA O=C(NCCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)COC2=O 426555796 CRTXGZFZZCCFER-UHFFFAOYSA-N 382.424 1.091 0 50 GDAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)C1(S(=O)(=O)c2ccccc2)CC1 220231527 ZSCSIBWQTUDPAQ-IAGOWNOFSA-N 379.478 1.693 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(CCc3nccn3C)C2)cc1 95518563 AYNGXJYKVGFGOI-MRXNPFEDSA-N 392.525 1.662 0 50 GDAA CN1CCN(c2ccc(-c3nc(CC(N)=O)nn3-c3ccccc3)cc2)CC1 95355930 MALWHAZYQCMYQS-UHFFFAOYSA-N 376.464 1.714 0 50 GDAA CCc1nc(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)no1 95383693 FVHCFHJTYFNWGF-UHFFFAOYSA-N 384.440 1.328 0 50 GDAA CSCC[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1nc2ccccc2[nH]1 95521991 CFWGTTLZKMVZGN-CYBMUJFWSA-N 387.465 1.185 0 50 GDAA COCCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H](C)N)CC2)c(Cl)c1 95508709 SHKOJROUAVDRLE-GFCCVEGCSA-N 383.876 1.433 0 50 GDAA O=C(C1CCCC1)N1CC[C@]2(O)CCN(Cc3nc4ncccn4n3)C[C@@H]2C1 95368429 APOBOLZRTHGFBB-OXQOHEQNSA-N 384.484 1.100 0 50 GDAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@H]2C=C[C@H]1O2 239433941 YUDXADLVTPJLBW-QBPKDAKJSA-N 376.840 1.638 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 95529118 KTYZEZPASKWBBN-KRWDZBQOSA-N 394.439 1.187 0 50 GDAA Cc1cnn([C@H](C)C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 92022861 HTVZCTXKLRHUIN-QGZVFWFLSA-N 375.517 1.545 0 50 GDAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]nc1C1CCCCC1)CC2 92037290 ZTQNJXPXXPGBBU-SJORKVTESA-N 376.501 1.788 0 50 GDAA CN1CCN([C@H]2CCN(Cc3ccc(C(=O)O)cc3)C[C@H]2CCCO)CC1 91643322 YATXFWXNQXCIBY-UXHICEINSA-N 375.513 1.595 0 50 GDAA COc1cc(N2CCN(C(=O)CCc3nc(-c4ccoc4)no3)CC2)ncn1 183814939 HEZHSIHPUSEUSN-UHFFFAOYSA-N 384.396 1.410 0 50 GDAA C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cn2)C[C@@H](C)O1 298378271 BGVHBRFTTGTVKR-CHWSQXEVSA-N 390.465 1.595 0 50 GDAA COC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CN1CC(=O)NC1=O 1940195810 OGJDJROOKMSYKK-UHFFFAOYSA-N 391.380 1.831 0 50 GDAA Cc1ccccc1CCC(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299791528 DKSCNXZALIHUQZ-UHFFFAOYSA-N 376.482 1.216 0 50 GDAA Cn1cnnc1Sc1ccc(CN2CCC(c3nnc(CO)n3C)CC2)o1 828839138 PYWSTGZSQFTPEN-UHFFFAOYSA-N 389.485 1.560 0 50 GDAA O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)NCc1n[nH]c2c1CCCCC2 827856177 QMEVASKOQJCWBW-UHFFFAOYSA-N 395.467 1.147 0 50 GDAA CN(C)c1ncc(/C=C/C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)cn1 827603797 FFYGWISADFMFQC-DKFQHHCZSA-N 382.468 1.141 0 50 GDAA C[C@@H](CN1CCN(C)CC1)N1CCOC2(CCN(Cc3ccoc3)CC2)C1 823789157 NTRFEHGIUCCGNG-IBGZPJMESA-N 376.545 1.582 0 50 GDAA CCS(=O)(=O)CCNC(=O)N(CCc1ccccc1)C1CCN(C)CC1 584899313 UKYJYPBXEWSSSH-UHFFFAOYSA-N 381.542 1.770 0 50 GDAA Cc1ncsc1CCN(C)C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 584884316 YZZGOGHOMLRNLN-AWEZNQCLSA-N 388.559 1.840 0 50 GDAA Cc1nscc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 276377460 JBVGXXZRWWSVSJ-CYBMUJFWSA-N 376.486 1.360 0 50 GDAA CCn1cc([C@@H]2CN(C(=O)NCC3CCN(CCOC)CC3)CCO2)cn1 188746996 GDYNNXQAAYUDNO-SFHVURJKSA-N 379.505 1.344 0 50 GDAA FC(F)(F)Cn1cnc([C@H]2COCCN2C(=S)NC[C@H]2CCCCO2)n1 789395229 OUXXIUVFZXSYSL-VXGBXAGGSA-N 393.435 1.657 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)cc1 1506407903 SZEGVWHUFSWUBQ-UHFFFAOYSA-N 393.509 1.459 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 1506408166 VRYUSRFYXPZMLV-INIZCTEOSA-N 376.416 1.913 0 50 GDAA COc1cc2c(cc1CN1CCN(C(C)=O)[C@H]3CS(=O)(=O)C[C@H]31)CCC2 222285242 BHDUSSXJVLOROZ-MSOLQXFVSA-N 378.494 1.014 0 50 GDAA Cc1ccc(C(=O)N2CCCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c(=O)n1C 1529179476 BIUFITPQKRUTIN-UHFFFAOYSA-N 383.452 1.283 0 50 GDAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)C1 1704315212 QGKAGIVVTQFMBF-ZDUSSCGKSA-N 391.536 1.129 0 50 GDAA CCn1nc(C)c(CN2C[C@H]3CN(Cc4ccns4)C[C@]3(CO)C2)c1C 1772701397 LUWZALMGWYREGI-VQIMIIECSA-N 375.542 1.903 0 50 GDAA COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O 12280290 SKOHTOQTNNBBQI-AWEZNQCLSA-N 387.484 1.884 0 50 GDAA COc1ccc(CCC(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OC)C2)cc1 14530958 NPYGOWYDGAVHSE-FQEVSTJZSA-N 397.475 1.909 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Nc3cccc(F)c3)C[C@H]12 14533400 DRCTWUGWQOWTKQ-ZWKOTPCHSA-N 396.422 1.612 0 50 GDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cn[nH]c1)CC2 14541039 DAOREMJZCQTYKN-UHFFFAOYSA-N 388.472 1.227 0 50 GDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CN2C1=O 14755577 SHRWBSAXEDYQHJ-IHRRRGAJSA-N 384.263 1.991 0 50 GDAA Cc1ccc(NC(=O)COc2ccc(/C=c3/sc4n(c3=O)CCN=4)cc2)cc1 15822901 ZHQSYZQOEHFYNV-LDADJPATSA-N 393.468 1.698 0 50 GDAA CN(C)S(=O)(=O)CCCN1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857675872 KRRARINHHZUFQC-GOSISDBHSA-N 381.498 1.017 0 50 GDAA Cc1nc(N(C)CCO)c2c(n1)C1(CC2)CCN(Cc2nnc(C)s2)CC1 1857681684 CAZCBEWECCFJBD-UHFFFAOYSA-N 388.541 1.853 0 50 GDAA Cc1ncc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4nonc4C)C3)C2)nc1C 1857691059 TWNLEVXRCXPLAJ-DNVCBOLYSA-N 386.456 1.278 0 50 GDAA CCn1ccc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)C3CCOCC3)C2)cc1=O 1857691887 FKIMMTLTAXZOGV-QAPCUYQASA-N 389.496 1.700 0 50 GDAA O=C(C1CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1)N1CCc2ccccc2C1 1857698688 DJWCEHMOJCJUSI-LJQANCHMSA-N 393.491 1.664 0 50 GDAA Cc1ccn(CC(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n1 1857716353 ICUZPEZSXBKSFM-UNMCSNQZSA-N 398.507 1.617 0 50 GDAA Cc1cc(C)n(CCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2n2ccnc2C(C)C)n1 1857737026 TXKWAFHIYQDQHC-JKSUJKDBSA-N 393.513 1.364 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1ccccn1 1875248549 XCMCESJBUAWGJY-BQFCYCMXSA-N 375.469 1.634 0 50 GDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3nc4cccc(C)n4c3F)CC[C@@H]21 222555745 OIAMRERPKCGMIG-CABCVRRESA-N 387.459 1.454 0 50 GDAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)Cn1cc(Br)ccc1=O 324748751 PNKDLKBMGIVGDT-INIZCTEOSA-N 391.221 1.821 0 50 GDAA CC[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cnn(CC(=O)NC)c1 127276004 UJTZKMFPOWCSIF-KRWDZBQOSA-N 384.484 1.298 0 50 GDAA CCOc1ccccc1CN1CCN(Cc2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 248376484 CSFVETHGNBUTMP-DLBZAZTESA-N 390.509 1.292 0 50 GDAA COc1cc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)ccc1NC(N)=O 378141112 JLLPLFGTEQAENT-LLVKDONJSA-N 396.407 1.463 0 50 GDAA CCn1cc(CN2CCCN(C(=O)c3ccnc(N4CCCC4)n3)CC2)cn1 265754250 FNZCEGHSCQFTLH-UHFFFAOYSA-N 383.500 1.641 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H](C)O2 1875286393 SIHZTGVKFOJLBO-SFHVURJKSA-N 385.508 1.913 0 50 GDAA CCN1CCO[C@H](CN2CCN(C(=O)c3ccnc(-c4ccco4)c3)CC2)C1 1875271540 PLEGWNZXOUIVFB-SFHVURJKSA-N 384.480 1.820 0 50 GDAA CNC(=O)CN(CC[C@H](OC)C(F)(F)F)C(=O)Cc1ccc2nn[nH]c2c1 1875379563 WGWSOACMVZNQRC-ZDUSSCGKSA-N 387.362 1.042 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1cnc(OCC2CC2)cn1 1875312416 BLAZDRXNXFAKLX-UHFFFAOYSA-N 378.410 1.178 0 50 GDAA COCCn1nc(C(=O)N2CC(O)(c3ccccc3)C2)c2c1[C@H](C)O[C@H](C)C2 1875404111 VITJLMOXWKVTDH-CABCVRRESA-N 385.464 1.895 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3ccoc3c2)ncn1 1875401307 IFBCPAIADQNPCZ-HZPDHXFCSA-N 381.436 1.658 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4onc(C)c4C)CC3)[C@@H]2C1 1775961908 HYPYCPBNYPRYHS-CABCVRRESA-N 390.440 1.338 0 50 GDAA COc1ccccc1-n1nccc1C(=O)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 2325786217 UOCPVRSOBVLABL-IIDMSEBBSA-N 381.436 1.647 0 50 GDAA COC(=O)[C@]1(NC(=O)c2ccc3c(c2)CC[C@@H](N)C3)COc2ccccc2C1 2325808621 KLZCHMSYLFBWLM-XMSQKQJNSA-N 380.444 1.779 0 50 GDAA C[C@](CO)(CNC(=O)c1cnc(C(F)(F)F)s1)NC(=O)[C@H]1CC12CCC2 2325829514 LMFSCEUAYJQWTK-YMTOWFKASA-N 391.415 1.949 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1 2325888376 NNGLOEFHBGIWCS-HNNXBMFYSA-N 387.455 1.971 0 50 GDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@H](C)O)C3)c3cccc(=O)n32)c1 2356144785 LXGKRJLQALQLKB-FORWCCJISA-N 382.460 1.967 0 50 GDAA COc1cc(CC(=O)N2CCC[C@@]23CCCN(C)C3=O)cc(OC)c1OC 2356170075 TYKYVXOYWGSAAX-HXUWFJFHSA-N 376.453 1.868 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@@H]1N=c1[nH][nH]c(=N)s1 2356170961 KIGAMKBRFRDLIJ-UBHSHLNASA-N 383.518 1.044 0 50 GDAA CCCNS(=O)(=O)c1cc(C(=O)NCCCOC)ccc1N1CCCC1 10009848 MXPNCHPKQYGSRR-UHFFFAOYSA-N 383.514 1.741 0 50 GDAA CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 9063797 LYCYRCQJFJJJAV-UHFFFAOYSA-N 395.525 1.648 0 50 GDAA Cc1nn(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1-c1ccccc1 225522962 PVYKWHUAZMIJGD-HXUWFJFHSA-N 395.507 1.799 0 50 GDAA CC(=O)Nc1ncc(S(=O)(=O)NC(=O)[C@@H]2COc3ccccc3C2)s1 225856487 AMJXXZOIWCGEKE-NSHDSACASA-N 381.435 1.158 0 50 GDAA O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 227463936 FUMJIGZXKCJKFG-IRXDYDNUSA-N 382.416 1.864 0 50 GDAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)c1 55120281 AFDNSQPKTIKTBK-FQEVSTJZSA-N 399.466 1.884 0 50 GDAA O=C(CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O)N1CCCC1 67954844 OVTRGSLCJFYXAT-NRFANRHFSA-N 379.545 1.912 0 50 GDAA O=C(c1nnc2n1CCCCC2)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65456347 ZJUWRNJWLUWSSJ-LSDHHAIUSA-N 384.436 1.724 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCC3(O)CCCC3)C2=O)c1 67722895 IJARBBSQMXCANR-OAQYLSRUSA-N 394.487 1.973 0 50 GDAA CCCc1cc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 72478973 XJKBECGGMQTEGE-SJORKVTESA-N 381.498 1.517 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCn3cccn3)C2=O)c1 67446872 XVNPHBDBRSUHSJ-IBGZPJMESA-N 376.432 1.174 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@H]12 4260249 GDJAUCUMUPRYBQ-ZWKOTPCHSA-N 394.431 1.178 0 50 GDAA biogenic COc1cccc(CN2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2=O)c1 77471169 GYHYBKMEMSJKQF-HXUWFJFHSA-N 379.460 1.581 0 50 GDAA CCn1ccc(C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)cc1=O 216451159 WATUIUKMQQAEQP-UHFFFAOYSA-N 377.448 1.749 0 50 GDAA O=S(=O)(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCCC1 72168065 YMPPZXNVDDCBPP-CYBMUJFWSA-N 378.420 1.999 0 50 GDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 72151819 XDVUXLFVXRLVEZ-QGZVFWFLSA-N 384.480 1.366 0 50 GDAA Cn1cc(S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)cc1C(N)=O 241588324 PBYLDRXSHVDPIX-UHFFFAOYSA-N 394.453 1.865 0 50 GDAA Cc1cc(N2C(=O)C[C@@H](N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1 84718217 SGHTXGPSSLLDKO-MRXNPFEDSA-N 395.419 1.595 0 50 GDAA CCC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(=O)nc(O)n2CCC)C(N)=O 286243347 FNIIJKQTRFWOOG-LBPRGKRZSA-N 389.456 1.414 0 50 GDAA COCc1nc(C2CC(N)C2)cc(N(C)Cc2nc(-c3ccncc3)no2)n1 220028460 AREJWRVWMBDGEK-UHFFFAOYSA-N 381.440 1.909 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)C1 20028717 RRCTZHDLLSOKMI-MRXNPFEDSA-N 399.944 1.656 0 50 GDAA O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 91807288 JIGYEBHXGXOAGD-LLVKDONJSA-N 397.357 1.172 0 50 GDAA COc1ccc(CN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 230068786 HQHRNSZWLPARJZ-RTBURBONSA-N 386.473 1.710 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@@H]1CO 91745980 RLCROZBPZLLRHR-HZPDHXFCSA-N 375.444 1.633 0 50 GDAA CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C1 95399197 SWZNJKPWJTWCFQ-ZDUSSCGKSA-N 386.456 1.981 0 50 GDAA CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(-c4ncn(C)n4)c3)C2)CC1 162056554 QOXPKFDGZYQGPE-SFHVURJKSA-N 383.500 1.726 0 50 GDAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)nc12 95520291 DEZRZIIFJWHYFW-ZDUSSCGKSA-N 381.436 1.289 0 50 GDAA CCN1CCC(N2C[C@H](NC(=O)Cc3ccsc3)C[C@H]2C(=O)NC)CC1 95521814 JFFUFUMEXJNHKZ-WBVHZDCISA-N 378.542 1.080 0 50 GDAA CC1(C)CN(C(=O)CCc2cc(Cl)no2)CC[C@@]1(O)CN1CCOCC1 91452310 RCEZTRDQIMCAQK-GOSISDBHSA-N 385.892 1.582 0 50 GDAA Cc1noc(C)c1CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96130389 MANFKWUZSZTSQI-UHFFFAOYSA-N 375.429 1.892 0 50 GDAA CS(=O)(=O)NCc1cc2n(n1)CCCN(Cc1ccc(C(=O)O)cc1)C2 91966240 VMNXIISHDNIRED-UHFFFAOYSA-N 378.454 1.036 0 50 GDAA C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCCc3cccnc3)c2)CCN1 97797384 WLAGLNMMNXBABN-HNNXBMFYSA-N 388.493 1.037 0 50 GDAA O=C(NCCn1ncc2ccccc2c1=O)c1cc(-c2ccccc2O)n[nH]1 91807227 HXGCWDDYUBOPNK-UHFFFAOYSA-N 375.388 1.922 0 50 GDAA COc1ccc([C@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]2C[C@@H](O)C2)cn1 252536448 IPCRONUHNHPIOY-WDYCEAGBSA-N 379.420 1.913 0 50 GDAA Cc1ccc(NC(=O)CCN2CCN(c3ncccc3C(N)=O)CC2)c(C)c1 252479843 BNSINIAKLXTXJW-UHFFFAOYSA-N 381.480 1.948 0 50 GDAA COc1ccc(N2C(=O)[C@H](CCC(=O)NCc3c(C)n[nH]c3C)N=C2O)cc1 252494092 NKTDKUSVSSNRNZ-INIZCTEOSA-N 385.424 1.761 0 50 GDAA O=C1CO[C@@H](CNc2ncc(F)cn2)CN1CC1CCN(CC2CC2)CC1 299755080 BDHHIAFQWOWBJI-KRWDZBQOSA-N 377.464 1.377 0 50 GDAA CC(C)Cc1cc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)nc(N)n1 952970324 RDOBIIFTDLRTHQ-GOSISDBHSA-N 384.484 1.456 0 50 GDAA Cc1cnc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)cn1 952972711 UOCMXXBPIHYUBC-HNNXBMFYSA-N 392.463 1.872 0 50 GDAA Cc1cccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 1506409350 ZEYWVVGVWTWCFC-KRWDZBQOSA-N 381.498 1.469 0 50 GDAA O=C(C1CCN(CCO)CC1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704358213 GDXSJTVLNCXZGD-NQIIRXRSSA-N 383.492 1.301 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@@H]4CNC[C@@]4(CO)C3)c(C)s2)on1 1772710809 SUHZAMCPRJJLCQ-LRDDRELGSA-N 383.495 1.222 0 50 GDAA Cc1cnc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)cn1 1772815739 UVYSVZRKVOXJKB-HNNXBMFYSA-N 386.452 1.335 0 50 GDAA O=C1CCCN1CCNCc1ccccc1OC[C@@H](O)CN1CCCCC1 11710279 HUJNGRNJZFKJQH-IBGZPJMESA-N 375.513 1.624 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1Cc1ccccc1 12317240 HHAUUQONQWNRAA-INIZCTEOSA-N 376.482 1.175 0 50 GDAA Cc1nnc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)s1 1857673673 XPFVFUYRRXGBJM-GOSISDBHSA-N 388.497 1.663 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)cn1 1857679059 VZYVNUVFBCNYLP-GOSISDBHSA-N 393.451 1.209 0 50 GDAA O=C(N[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)CC[C@@H]1O)c1ccncc1 1857696555 GRDVDDQAMYOKSL-RTWAWAEBSA-N 391.475 1.692 0 50 GDAA CCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1738755 JHDSTQGJCXOPNP-UHFFFAOYSA-N 396.495 1.940 0 50 GDAA C[C@@H](c1ccccc1)[C@@H](CNC(=O)N1CCOCC1)NC(=O)N1CCOCC1 225829297 YZLCQRBYKPNUPB-FUHWJXTLSA-N 390.484 1.242 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc2C[C@H]1C 328634205 SZZZIYDHRFOFDY-UKRRQHHQSA-N 388.493 1.722 0 50 GDAA CCOC(=O)C1(CNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CCCC1 822396831 NSLDUCHRPRZHGG-MNOVXSKESA-N 385.404 1.449 0 50 GDAA C=CC(=O)N1CCC(C(=O)NCCN2CCN(C)CC2)(c2ccccc2)CC1 847306506 UYDPWHSDDSNPGH-UHFFFAOYSA-N 384.524 1.096 0 50 GDAA CCOc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc(-c2ccccc2)c1OC 1875268655 CULLNKPMZSXUOJ-WBVHZDCISA-N 384.432 1.822 0 50 GDAA Cc1ccc2[nH]c(C(=O)N3CC4(CN(C)C[C@@H]4c4cc[nH]c(=N)n4)C3)cc2c1 1875393143 HRKLCFIAVQMSAA-OAHLLOKOSA-N 376.464 1.850 0 50 GDAA O=S(=O)([C@H]1CCO[C@@H](C(F)(F)F)C1)N1CC(O)(c2cccc(F)c2)C1 1875397052 JDFNFLOIXUJISO-QWHCGFSZSA-N 383.363 1.769 0 50 GDAA O=C(CN1C(=O)CCCc2ccccc21)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875403711 ZAHSZXURSUGXHB-SZVBFZGTSA-N 382.464 1.508 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cccc4ncnn34)C2)c1C 1875400412 YZDYVJHRXKPPKB-OAHLLOKOSA-N 394.483 1.206 0 50 GDAA Cc1nc(C(=O)N2CC(O)(c3ccccc3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403743 ABRSIPPHEPEPIT-GOSISDBHSA-N 395.507 1.577 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2nccs2)CC1 888103521 KTMMGXUNTQIAIO-JKSUJKDBSA-N 391.541 1.758 0 50 GDAA Cc1cc(C)n(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1 2100480613 JYTMSQWAHCKUAL-SJORKVTESA-N 376.844 1.526 0 50 GDAA N=c1ccc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)[C@]23CN(CC2CC2)C[C@@H]3O)c[nH]1 2100556172 GYPOUPLCJXHWLY-MHXAIHSWSA-N 392.503 1.710 0 50 GDAA CCN(CCO)C(=O)c1cn(CC)c2cc(N3CCNCC3)c(F)cc2c1=O 2325795654 RQZMTNDQZAWJPF-UHFFFAOYSA-N 390.459 1.025 0 50 GDAA COc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(OC)cc1Cl 4488401 YFJPPHADLRMOBB-UHFFFAOYSA-N 376.862 1.967 0 50 GDAA COc1ccc(F)cc1[C@H](C(=O)O)N1CCN(CC(=O)N2CCCC2)CC1 55109201 XNCMMMWWELTAHL-GOSISDBHSA-N 379.432 1.200 0 50 GDAA COc1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1-n1nnnc1C 110372600 QWQRICHSHTXOEW-UHFFFAOYSA-N 393.407 1.271 0 50 GDAA O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2F)CC1 9421035 BJJPOVMOVPQCBF-UHFFFAOYSA-N 396.422 1.568 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CC[C@]4(CCCN(CC5CC5)C4=O)C3)c(=O)n2n1 102443898 XSFCJMYBAQPEMU-HXUWFJFHSA-N 383.452 1.196 0 50 GDAA Cc1c(NCc2cccnc2)cccc1C(=O)N1CCN2CCNC(=O)[C@H]2C1 65410685 IDMDKSKBIDGSIH-LJQANCHMSA-N 379.464 1.258 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)COc2ccc(OC)cc2)CC1 67629668 ZTBWGERIFDLZFO-AWEZNQCLSA-N 384.498 1.640 0 50 GDAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C1CCOCC1)N[C@]2(C(=O)OC)c1ccccc1 65432545 BRAUWKLEVXRCSL-BZLDKRAPSA-N 386.448 1.074 0 50 GDAA CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccc(CC(=O)O)cc1 2564736 OPWBGOLGDZZFEJ-ZDUSSCGKSA-N 380.397 1.126 0 50 GDAA Cn1ncc2c1ncn1nc(-c3ccn(Cn4cc(Br)cn4)n3)nc21 2802751 CUUVRCNCIOMIHJ-UHFFFAOYSA-N 399.216 1.339 0 50 GDAA O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)N1 230141706 TVRFLINEYLQORN-YYFZDKIDSA-N 388.443 1.285 0 50 GDAA CS(=O)(=O)N1CCO[C@H](c2nnc(/C=C/c3ccc4c(c3)CCO4)o2)C1 328634057 MLPNERLZTNFYEN-UJAVWCLSSA-N 377.422 1.508 0 50 GDAA Cc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(Cl)c3c(c1)OCCO3)CC2 171043975 GLLSMSOKULVLFT-LBPRGKRZSA-N 377.832 1.825 0 50 GDAA COCCN1C[C@@]2(CCCN(CC(=O)NCc3ccccc3F)C2)CCC1=O 77565698 NFSBUWYYAIDAHH-NRFANRHFSA-N 391.487 1.793 0 50 GDAA COc1ccc(C(=O)[C@@H]2CCCN(c3cc(NCCO)ncn3)C2)cc1OC 71745497 ZCGVFPXUSSFQTG-OAHLLOKOSA-N 386.452 1.997 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCCN[C@H]3C)CC2=O)cc1OC 262841458 XMHJGENMXKSCLK-UAGQMJEPSA-N 389.496 1.352 0 50 GDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 262862708 ZQBUCTCOWBYHCD-CYBMUJFWSA-N 377.445 1.569 0 50 GDAA O=C(Nc1c[nH]nc1[C@H]1CCCN(CCN2C(=O)CCC2=O)C1)c1ccccc1 378543968 XUOZDVVSDYFJKX-INIZCTEOSA-N 395.463 1.990 0 50 GDAA C[C@H](NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1)c1n[nH]c(=O)[nH]1 72143402 UUEACWHJWRJSLO-ZDUSSCGKSA-N 389.419 1.818 0 50 GDAA COc1cccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)no2)c1 223787537 KEZDAAOBBHGIJV-HNNXBMFYSA-N 379.438 1.390 0 50 GDAA O=C(CNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)NCCc1ccccc1 172908443 KDDBLIZLZJAXQI-LJQANCHMSA-N 394.475 1.409 0 50 GDAA CC(=O)N1CCCn2nc(CNC(=O)c3cc(C)n4nc(C)cc4n3)cc2C1 82162124 ZKPXWEXXQCMQBD-UHFFFAOYSA-N 381.440 1.225 0 50 GDAA Cc1ccc(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)c(F)c1F 221330397 MZXXDKWQTCGCAF-INIZCTEOSA-N 378.423 1.997 0 50 GDAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(N2CCC[C@H](CO)C2)CC1 43131173 BGFYTQSSEMGNDS-HOTGVXAUSA-N 390.480 1.878 0 50 GDAA Nc1nc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3=O)C2)c2nc[nH]c2n1 426382923 OEVFVEILRZUVHC-NRFANRHFSA-N 391.479 1.997 0 50 GDAA COCCN1CCN(Cc2ccc3ccccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 91586400 YIFMDYKIDNAMTK-MOPGFXCFSA-N 375.494 1.164 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@H](O)c3ccccc3)CC2)CC1 95525236 RXOMPISMEJSGBD-OAQYLSRUSA-N 387.524 1.903 0 50 GDAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCC(C(=O)N2CCCC2)CC1 91645426 HKUPVAMGSDGOIQ-UHFFFAOYSA-N 381.436 1.719 0 50 GDAA Cc1ccc2[nH]nc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](CCCO)C3)c2c1 95368808 IZXQKLJPOJYJEM-XLIONFOSSA-N 399.539 1.722 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1ccc(Cl)cn1)CC2 91644711 BIWYNNKXOQAELM-UHFFFAOYSA-N 375.860 1.985 0 50 GDAA O=C1CC[C@H](c2nc(-c3cn4ccccc4n3)no2)CN1CCN1CCOCC1 91943177 FIFMJALKWKDBJO-HNNXBMFYSA-N 396.451 1.423 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)Cn1cccn1)CC2 95498521 FDSAULKHQZMXQI-OAHLLOKOSA-N 384.484 1.555 0 50 GDAA Cn1cc(C(=O)N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cn1 91461720 KSYBPGXQWPTNDF-UHFFFAOYSA-N 381.480 1.903 0 50 GDAA CCc1ccccc1OCCN(C)C(=O)Cn1ncc(N2CCCC2)cc1=O 95496758 XMLGYGMGZZEWMM-UHFFFAOYSA-N 384.480 1.943 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1nc(O)c3sccc3n1)CC2 95377377 UJDWOPROTKFKCL-JTQLQIEISA-N 376.438 1.294 0 50 GDAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1CCN(c2ccccn2)C1 248440062 JEJYBYPUENLCAV-WOJBJXKFSA-N 395.507 1.726 0 50 GDAA CCSc1nnc(NC(=O)CN2CCOc3ccc(CO)cc3C2)s1 244716226 LKWBOOHQLKYMPK-UHFFFAOYSA-N 380.495 1.976 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 252522868 BIHHXGKHBXWLRT-TXEJJXNPSA-N 380.395 1.679 0 50 GDAA O=S(=O)(N1CCCC1)N1CCN(Cc2cnn(-c3ccccc3F)c2)CC1 826629881 QDBIZQAQLMYEHI-UHFFFAOYSA-N 393.488 1.470 0 50 GDAA CCc1nnc(N2CCC3(CC2)CN(C(=O)C2CCOCC2)CCO3)s1 952967970 ABBZZAJKAHPCGM-UHFFFAOYSA-N 380.514 1.725 0 50 GDAA Cc1ccnn1CCN1CCC[C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 952966314 DPBNUXWSFBXPOA-SFHVURJKSA-N 393.495 1.914 0 50 GDAA CSc1ncc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)cn1 1565514343 QRNXFFKMINOZFE-KBPBESRZSA-N 379.511 1.329 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565526438 TUIRVAJEYSJHKW-YPMHNXCESA-N 375.454 1.072 0 50 GDAA CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)n1 170593941 SKSVGOSOIZKQHR-CHWSQXEVSA-N 378.477 1.026 0 50 GDAA CC[C@H](C)n1nc(NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1C 170618516 HAXXRXMIENHOPP-JTQLQIEISA-N 375.433 1.604 0 50 GDAA CN(C)c1noc(C2CCN(C(=O)[C@H]3COCCN3CC3CCC3)CC2)n1 193963370 FJLWJWKBGRVKLL-MRXNPFEDSA-N 377.489 1.343 0 50 GDAA CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1sc(N2CCCC2)nc1Cl 740805501 DMQGTAFGFZNJNL-SNVBAGLBSA-N 377.919 1.903 0 50 GDAA Cc1ccc(-c2ccccc2CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)o1 1615737740 QWQZEBRREHHBLD-AEFFLSMTSA-N 378.494 1.939 0 50 GDAA Cc1nc(O)cc(CN2CCC(CNC(=O)c3cc(C(F)F)nn3C)CC2)n1 1506427496 MDUHJXPYIHJTHS-UHFFFAOYSA-N 394.426 1.804 0 50 GDAA CCn1ccnc1CN(C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529141475 GBWDIBFJURUQKZ-MOPGFXCFSA-N 383.452 1.388 0 50 GDAA Cn1cccc1C(=O)C(=O)N1C[C@@H]2CN(C(=O)CC3CCCC3)C[C@]2(CO)C1 1772710545 BPPYIWBXOUGXGG-HRAATJIYSA-N 387.480 1.067 0 50 GDAA Cc1nn2ncccc2c1C(=O)N1C[C@@H]2CN(Cc3ccns3)C[C@]2(CO)C1 1772813432 ANALGMWMILYRLX-IFXJQAMLSA-N 398.492 1.061 0 50 GDAA Cc1cc(C)cc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)c1 14750131 PVSWIEKAVOFOBX-ULQDDVLXSA-N 387.484 1.022 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2)=NN1 14951599 VSPLEARHORRPRZ-INIZCTEOSA-N 382.464 1.240 0 50 GDAA O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N1CCC[C@@H](O)C1 19772423 ZRIYQRCTWXFCHU-GOSISDBHSA-N 384.480 1.589 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857666440 KEHSSUCJTITXHM-SFHVURJKSA-N 390.465 1.465 0 50 GDAA CCCCc1nc(CN2CCOC[C@@H](C(=O)N3CCOCC3)C2)c(Cl)[nH]1 1857677065 QABCFLYIISCPCA-AWEZNQCLSA-N 384.908 1.713 0 50 GDAA CN(C)CC(=O)NC[C@H]1[C@H]2CN(c3ccnc4ccccc34)C[C@]23CC[C@H]1O3 1857723593 MRCPUKDHBPLBOT-VTAPXXACSA-N 380.492 1.896 0 50 GDAA CN[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 150977741 VPUNUVFDEQGKRS-JTQLQIEISA-N 375.288 1.677 0 50 GDAA O[C@H]1CN(c2ncc(F)cn2)CC[C@@H]1N1CCN(CCc2ccccc2)CC1 214909948 PHDPOYLQLGWEAK-PMACEKPBSA-N 385.487 1.416 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc2C[C@@H]1C 328634206 SZZZIYDHRFOFDY-ZFWWWQNUSA-N 388.493 1.722 0 50 GDAA CC(=O)N1CCN(Cc2cnn(-c3cccc(C)c3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 247946718 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CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCN(CCn2cncn2)CC1 822559909 BGWBFNVHMBBHLM-MRXNPFEDSA-N 384.484 1.721 0 50 GDAA O=C(CCc1cc(Cl)no1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565516662 NCSCCQTVSUSLJD-GJZGRUSLSA-N 377.828 1.652 0 50 GDAA CCc1ccccc1NC(=O)CN1CCN(Cc2nnc3n2CCCC3)CC1 269460210 SHPAKWWBADHQPE-UHFFFAOYSA-N 382.512 1.933 0 50 GDAA O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 269696289 LDEYDJKERNLFIY-CQSZACIVSA-N 377.422 1.684 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 276213312 DEWGHVDACYRKSL-MRXNPFEDSA-N 398.467 1.018 0 50 GDAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 187270469 WMRKVXQOHMKWTP-KRWDZBQOSA-N 395.450 1.682 0 50 GDAA CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 170621190 PADAUAMDGBUZEL-ZDUSSCGKSA-N 388.442 1.187 0 50 GDAA Cc1ccc([C@@H](O)CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 762331924 ROPNWNNRFQJYPW-INIZCTEOSA-N 387.461 1.226 0 50 GDAA COc1cccc(CCC(=O)N2CCCN(C(=O)C(=O)c3cccn3C)CC2)c1 1529186920 MPWMUMIJOYUXOR-UHFFFAOYSA-N 397.475 1.910 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCCN(C(=O)[C@]3(C)CCN(C)C3)CC2)c1 1800410675 AFPBLLZMYMZXPA-LJQANCHMSA-N 379.526 1.560 0 50 GDAA COc1nc2ccccc2nc1CCC(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704302266 GPDURUKNJVZALM-QLFBSQMISA-N 382.464 1.944 0 50 GDAA CCn1nc(CC(=O)NC)nc1[C@H]1CCCN(C(=O)c2cccnc2O)CC1 1772815496 SSEJDHHKWSLTND-ZDUSSCGKSA-N 386.456 1.097 0 50 GDAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)c4csc(N)n4)C[C@]3(CO)C2)co1 1772816506 OIBOMBIXNKQVGG-XIKOKIGWSA-N 391.497 1.403 0 50 GDAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCN(c2cnccn2)CC1 11715846 QKIQFMQBOUQBMX-UHFFFAOYSA-N 383.843 1.732 0 50 GDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCO3)c2)CC1 11774694 YAKFNRVIAHIIHT-UHFFFAOYSA-N 383.470 1.114 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1ccc(Cl)c(Cl)c1 14744498 ZJWIVWUTLBJFIW-GDLCADMTSA-N 382.247 1.697 0 50 GDAA COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 18136650 ILJUKVGRRDYMOG-OAHLLOKOSA-N 396.465 1.695 0 50 GDAA COc1ccc(CN(C)CC(C)C)cc1OC[C@@H](O)CN1CCN(C)CC1 19534936 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Cc1ncc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCc3ccccn3)C2)[nH]1 1857688583 RNCAVBFMFIHBEN-JXFKEZNVSA-N 382.468 1.156 0 50 GDAA CCn1cnnc1CCNC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 1857690081 VPIKBTYHVHEVCF-UHFFFAOYSA-N 375.498 1.483 0 50 GDAA O=C(CNc1cccnc1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857720684 FKERABOHKTUQNM-OALUTQOASA-N 380.448 1.522 0 50 GDAA CN1CCC2(CCC(NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)CC1 908492603 GXSLBWJDWGQADW-UHFFFAOYSA-N 384.480 1.753 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 952835175 AKDOEGAAUQZGHR-DLBZAZTESA-N 378.517 1.017 0 50 GDAA Cc1c(S(=O)(=O)N[C@@H]2C[C@H](N)C23CCOCC3)cnn1-c1ccc(F)cc1 1875283827 DHYYSQLFWFTNPL-DLBZAZTESA-N 394.472 1.495 0 50 GDAA CNC(=O)CN1CCN(C(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1 1875283247 KZCJHMUZHJVFQF-UHFFFAOYSA-N 377.448 1.734 0 50 GDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)C1(O)CCCC1)C2 1875396089 VHMDAXFBNNYLPA-MRXNPFEDSA-N 385.512 1.240 0 50 GDAA COc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O 2100543761 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COc1ccccc1C1(CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)CCC1 376296481 PUNKXKJWRGLECO-HXUWFJFHSA-N 386.452 1.453 0 50 GDAA COc1ccc(CN2CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)cc1F 378066122 DXQRSTGHBSTJGH-OAHLLOKOSA-N 387.459 1.942 0 50 GDAA O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21)Nc1cc(Cl)ccc1F 333819721 IRQBXVRNNQWUAQ-ZIAGYGMSSA-N 376.837 1.306 0 50 GDAA Cc1nn(C)c(=O)c(-c2nc(CN3CCN(CC(C)(C)O)CC3)cs2)c1C 177112191 DLNPWGSMEBDEFC-UHFFFAOYSA-N 391.541 1.409 0 50 GDAA CN(C)[C@@H](C(=O)NCCn1ncc2ccccc2c1=O)c1ccc2c(c1)OCO2 426527632 BLKOYMGUPRQISH-LJQANCHMSA-N 394.431 1.544 0 50 GDAA O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1C(=O)O 290895990 DMVABXJGRPSDKY-RNFRBKRXSA-N 387.357 1.563 0 50 GDAA CS(=O)(=O)Nc1cccc(NC(=O)N2CCN(c3cnccn3)CC2)c1 95515306 IIVKMSKVCVYPDZ-UHFFFAOYSA-N 376.442 1.202 0 50 GDAA CC1(CNS(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)COC1 95368700 HKRDDXJELYYYDV-UHFFFAOYSA-N 380.491 1.993 0 50 GDAA CC[C@H](NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)c1nc(C)no1 96164271 PFISVBOXNGRZEM-ZDUSSCGKSA-N 382.446 1.869 0 50 GDAA COCCN1C[C@@H]2CN(Cc3cnc(-c4ccccn4)nc3)C[C@]2(C(=O)O)C1 96150002 LELPOWWWXCEEQP-OXQOHEQNSA-N 383.452 1.003 0 50 GDAA CN(C)C1CCN(CCNC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 179312089 VWXDINMLQUWZBJ-IBGZPJMESA-N 387.528 1.459 0 50 GDAA COCCN(C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 91646031 MJIJSAKHVLUGTJ-IBGZPJMESA-N 387.524 1.819 0 50 GDAA Cc1nnsc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95509122 YWELGZLHFKZMPV-UHFFFAOYSA-N 386.481 1.496 0 50 GDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1nc3ccccc3n1)CC2 96138813 PDZYDUSVZRVUKX-UHFFFAOYSA-N 393.495 1.940 0 50 GDAA O=C(NCc1noc(Cc2cccs2)n1)c1ccc2c(c1)ncn2CCO 97272532 MKKDFFKGIKQTDS-UHFFFAOYSA-N 383.433 1.994 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O 252537060 KFFKFURIFBILHY-XIRDDKMYSA-N 375.469 1.657 0 50 GDAA NC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 298500315 LICUWXSGVVHYGG-UHFFFAOYSA-N 388.449 1.220 0 50 GDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccnc1C)C=C2 263585004 DABBJFOIWNDGMZ-UHFFFAOYSA-N 384.436 1.381 0 50 GDAA biogenic COCCN(Cc1cnn(C)c1)C(=O)NCc1noc(-c2cccs2)n1 534657575 AFFCIJCUGHXHNF-UHFFFAOYSA-N 376.442 1.890 0 50 GDAA CNC(=O)N1CCN(Cc2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 263616633 JVPCPSVBTHKPKY-SFHVURJKSA-N 386.456 1.015 0 50 GDAA NC(=O)c1csc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1 826626729 PJMXPWNHHKZSAC-AWEZNQCLSA-N 397.497 1.929 0 50 GDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1n[nH]c2ccccc12 828214584 DGKKVYMKCHKYCX-JCVMYPOKSA-N 387.487 1.860 0 50 GDAA CNC(=O)c1cccc(CNC(=O)N(C)C[C@@H]2CCCN(CCOC)C2)c1 584894784 VSLLNBQZZWTSHD-KRWDZBQOSA-N 376.501 1.546 0 50 GDAA Cc1ccn(CCC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 670443462 KRYPFIKARYOXSA-QUENFVSXSA-N 379.508 1.265 0 50 GDAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1cnc2ccccn2c1=O 1565515391 LFEOJWJLFIFFSK-IRXDYDNUSA-N 383.379 1.800 0 50 GDAA CCc1c(C)sc2ncnc(N3CC[C@H](N4CCC(O)CC4)[C@@H](O)C3)c12 1565510968 KQKJYENJMPWNJC-HOTGVXAUSA-N 376.526 1.958 0 50 GDAA CC(C)c1nnc(CN2CCN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)o1 1565510857 BUJUEFCZROUGSN-DLBZAZTESA-N 390.509 1.676 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1=O 275368629 WWTUVJGQNUEFJZ-HNNXBMFYSA-N 390.465 1.312 0 50 GDAA COc1c(F)ccc(C(=O)N2CCCN(C(=O)c3ccc(N)nc3)CC2)c1F 1529118843 OXQISMWKERKGCA-UHFFFAOYSA-N 390.390 1.939 0 50 GDAA C[C@@]1(NC(=O)c2ccncc2)CCOC2(CCN(C(=O)C3CCC3)CC2)[C@H]1O 1704313883 MUAMENQIMIJMBK-VQTJNVASSA-N 387.480 1.513 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCC2)cc1OC 11754244 FJCUHAMWAJLYQT-INIZCTEOSA-N 375.469 1.407 0 50 GDAA Cc1nn2cc(CNC(=O)[C@@H]3CCC(=O)N(Cc4ccccn4)C3)nc2s1 11936098 IBUALYAURISOBA-CYBMUJFWSA-N 384.465 1.549 0 50 GDAA CCN(CC)C[C@H](O)COc1ccc(CNCc2nccn2C)cc1OC 12444843 PCMMURMGLIFWGL-KRWDZBQOSA-N 376.501 1.800 0 50 GDAA O=C(NCCCN1CCCC1=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12753322 BQCVWJYOGYCBRX-MRXNPFEDSA-N 375.444 1.693 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1ccc(C(F)(F)F)cc1 14540001 UESYHNJREUIOGF-MJBXVCDLSA-N 381.354 1.409 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H]3C2)c1 14541784 GRZRCAAFLJTIKK-HZPDHXFCSA-N 393.509 1.049 0 50 GDAA O=C1CN(C(=O)CC[C@@]2(Cc3cccc4ccccc34)CCC(=O)N2)CCN1 14882772 FDQJBSOIUFNLHG-JOCHJYFZSA-N 379.460 1.770 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 1857717391 NNUGMWGDTDGILG-UHFFFAOYSA-N 395.419 1.009 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2n[nH]c3c2CCC3)cn1 1857719908 XDDMWPRQWZVWDD-ICSRJNTNSA-N 398.511 1.700 0 50 GDAA COC1(C(F)(F)F)CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 416649736 OYXUJVXBCYMWEJ-UHFFFAOYSA-N 398.334 1.992 0 50 GDAA COCCn1cc([C@H]2[C@H](CNCc3cncn3C)CC(=O)N2C(C)(C)C)cn1 328605919 PTZYJSSZKBBNTK-HNAYVOBHSA-N 388.516 1.741 0 50 GDAA O=c1cc(CN2CCN(c3cncc4ncnn34)CC2)nc2ccc(Cl)cn12 434866215 VWIQDXSWRFVLQG-UHFFFAOYSA-N 396.842 1.108 0 50 GDAA C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)[C@@H]1CN 156764447 ZQPNJKYUBDFZLE-CZUORRHYSA-N 376.482 1.475 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(c3ccno3)CC2)c1=O 1875297686 AKNSKLDYFGMFPR-UHFFFAOYSA-N 382.420 1.577 0 50 GDAA CCn1cnc2c(N(C)[C@H]3CCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncnc21 1875357944 CGLAAQSEBTVVTI-ZDUSSCGKSA-N 394.483 1.799 0 50 GDAA COc1ccc(Cl)cc1CS(=O)(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875398992 LANKGSFXSFPBTR-APHBMKBZSA-N 399.900 1.804 0 50 GDAA COc1cc2c(cc1OC)[C@H]1CC(=O)N[C@@H](c3cnn(C)c3C)C(=O)N1CC2 1875310776 CABDNCRVGXDKCC-BEFAXECRSA-N 384.436 1.433 0 50 GDAA O=C1CC2(CCC(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)CC2)CN1 1875300436 CEYGMWZKELOSDD-IMYXXEESSA-N 385.508 1.218 0 50 GDAA COc1cc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)ccc1OCCO 1875314643 KFWFJAPFUAGDFT-OLZOCXBDSA-N 389.452 1.752 0 50 GDAA C[C@H](N)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350568 RVOSBJMRTJECRH-RYUDHWBXSA-N 382.424 1.288 0 50 GDAA O=C(c1ccccn1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CC2CC2)CC1 888103488 JZNJPSKLWGHXJV-OALUTQOASA-N 383.496 1.564 0 50 GDAA COc1cc(C(=O)N[C@@H]2CN(C(=O)C=C(C)C)CC[C@@H]2C(F)(F)F)nn1C 1775989165 FQUSRBLZKCZHCA-WCQYABFASA-N 388.390 1.904 0 50 GDAA Cc1cc(C)cc(-n2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 13816469 AOCAQRJCHKBLNY-UHFFFAOYSA-N 381.436 1.446 0 50 GDAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cc2c(s1)C1(CCNCC1)OCC2 2356146033 ONDDUVVKVZKJRL-CQSZACIVSA-N 389.477 1.464 0 50 GDAA CC1(C)O[C@@H]2[C@@H](n3cnc4c(NC5CCCCC5)ncnc43)O[C@@H](CO)[C@H]2O1 101358749 AMNWSYQEVLXYTM-OGIUKLMXSA-N 389.456 1.981 0 50 GDAA O=C(NCCCO)[C@H]1CCCN(Cc2ccc(Sc3ncccn3)o2)C1 55099155 BXLKYVQHNYIQEG-AWEZNQCLSA-N 376.482 1.931 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1-n1cccn1 421548062 ZUPQLGNQUBKFLH-INIZCTEOSA-N 376.482 1.677 0 50 GDAA CC(C)(C)NC(=O)COc1ccc([C@H]2CC(=O)Nc3[nH]nc(C(N)=O)c32)cc1 65384914 BFWNXMQKMLWBRE-GFCCVEGCSA-N 385.424 1.276 0 50 GDAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1c[nH]c2ccccc12 409413262 HORKUQBITAZWMV-QGZVFWFLSA-N 380.404 1.930 0 50 GDAA O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1-c1ccccc1 67725878 RKBGRRCYYXBKQS-AWEZNQCLSA-N 377.470 1.081 0 50 GDAA CO[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)C1 216303735 MTLCMUABSXPSRF-OAHLLOKOSA-N 379.438 1.404 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 72434308 ZCPCBBLDQIQYOV-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA O=C(c1ccc(Cl)cc1F)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72430639 JSMZXMKBCZZSFB-CVEARBPZSA-N 386.876 1.813 0 50 GDAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)C1=O 328611327 LGRGPKAYAIRXDD-KRWDZBQOSA-N 386.477 1.822 0 50 GDAA O=C([C@@H]1CCOC1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1 215154278 YGGDZTZMQVAXSW-OAHLLOKOSA-N 378.494 1.867 0 50 GDAA O=C1CCc2cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)c(F)cc2N1 330308888 MONICFXZPUWMRF-LVPHQNDRSA-N 382.435 1.949 0 50 GDAA CCc1nccn1CC(=O)N1CCOC[C@@H]1CC(=O)N(C)Cc1cc(C)no1 72424822 HDYFDTUDTFDPIM-HNNXBMFYSA-N 389.456 1.018 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)no1 71748647 QXTRCCILQLEYGL-GOSISDBHSA-N 398.511 1.766 0 50 GDAA CS(=O)(=O)c1cnc(NCc2cnc3c(c2)CCC3)nc1[C@@H]1CCCNC1 72480247 KLLOHWIKPHGZEI-OAHLLOKOSA-N 387.509 1.843 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(Oc2ccccc2Cl)CC1 72411717 BMGDULNOJKMXLU-UHFFFAOYSA-N 377.828 1.638 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)C4CCOCC4)C3)CCC2=O)cn1 77519343 BHMMPTRIFOLQMW-NRFANRHFSA-N 386.496 1.943 0 50 GDAA CN(Cc1cc2n(n1)CCN(S(C)(=O)=O)C2)Cc1nc2ccccc2n1C 72480369 UZTXAMUYVSOGLH-UHFFFAOYSA-N 388.497 1.177 0 50 GDAA CN(Cc1nccs1)[C@H]1CC12CCN(c1cncc(OCCO)n1)CC2 377179711 OUUGTJDCRDNJFC-AWEZNQCLSA-N 375.498 1.795 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCN([C@H]2CCOC2)CC1 378114252 KEHPKEVRCOGLTK-HOTGVXAUSA-N 377.510 1.676 0 50 GDAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccccc1-c1nn[nH]n1 221376094 SULOWQJDTTUWOZ-SJORKVTESA-N 383.383 1.972 0 50 GDAA NC(=O)c1cccc(CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 131672987 YHFKQFZWBALTGE-INIZCTEOSA-N 384.411 1.919 0 50 GDAA CCC[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@H]1NS(C)(=O)=O 82121473 VTGAUFJCTGERPP-HUUCEWRRSA-N 382.482 1.524 0 50 GDAA Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 286061878 USBYRRGKQPEJAE-KRWDZBQOSA-N 397.884 1.458 0 50 GDAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91988525 QTZUMABSVIJAOB-QGZVFWFLSA-N 396.495 1.741 0 50 GDAA CSc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 91943373 DAHOZRIFTOTFEA-IAGOWNOFSA-N 377.554 1.727 0 50 GDAA CN1CC[C@@]2(CCN(c3ncc(C(C)(C)C(=O)O)c(N4CCOCC4)n3)C2)C1 96149763 WXFJBSJYBPQVBO-HXUWFJFHSA-N 389.500 1.207 0 50 GDAA C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239235370 VVUPGVHYWPWOGN-LABABHMHSA-N 397.402 1.993 0 50 GDAA Cc1cnn([C@@H]2CCN(C(=O)[C@H](Cc3ccc(F)cc3)n3nnnc3C)C2)c1 290843744 CMTYFXOSWKXBGB-MSOLQXFVSA-N 383.431 1.883 0 50 GDAA COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 95380726 ICJFJKQIRMOLGZ-CQSZACIVSA-N 375.450 1.588 0 50 GDAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCO[C@@H](CN2CCOCC2)C1 91270352 FFGQPEJZYPVIQJ-HNNXBMFYSA-N 386.452 1.346 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1cccnc1 91365106 HIQCVSVMFVTPMQ-NRFANRHFSA-N 380.448 1.815 0 50 GDAA CN(C)c1cc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)nc(N)n1 95364076 JPRMZILFPLLQSL-HNNXBMFYSA-N 388.516 1.513 0 50 GDAA C[C@@H](CCn1cccn1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95380103 LDAZVDORDJKLRL-AWEZNQCLSA-N 376.482 1.923 0 50 GDAA CC(=O)c1ccc(OCC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95365522 YLENJOZGUZTHSZ-MRXNPFEDSA-N 388.420 1.192 0 50 GDAA CSc1cccc(CN2CCN(CCC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 92038422 WMKBDGYBOOVOEW-CVEARBPZSA-N 384.523 1.166 0 50 GDAA CCOc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1CO 95351997 BFIFXPSIYZAVDB-MRXNPFEDSA-N 376.453 1.475 0 50 GDAA COC(=O)[C@@]12[C@H]3C[C@@]4(CCC4=O)[C@H]4[C@H]3[C@@H]3[C@H]1[C@]1(CCC1=O)C[C@H]3[C@]42C(=O)OC 247813990 FIWIWCSYFWAURN-DETBLCBRSA-N 384.428 1.549 0 50 GDAA Cn1ccnc1CC1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 182238474 RSMGTQOEYUGALI-FQEVSTJZSA-N 391.537 1.986 0 50 GDAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NC[C@H]4COCCO4)C3)nc2c1 299872952 YHQFADFCAUWNSJ-SJORKVTESA-N 384.480 1.995 0 50 GDAA CCc1nccn1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)n1 1940198337 GVRZZARFHFMNAD-HOTGVXAUSA-N 383.452 1.452 0 50 GDAA CC(C)(O)c1cncc(-c2ccc(C(=O)NCCNS(C)(=O)=O)cc2)c1 584902375 GIKIBJASCPISDS-UHFFFAOYSA-N 377.466 1.255 0 50 GDAA CCCN1C[C@@H](NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)CC1=O 670460165 ORGFSFWNPUOQRJ-ZDUSSCGKSA-N 378.454 1.170 0 50 GDAA CS(=O)(=O)CCc1ccc(N2C(=O)N[C@@H](Cc3cncs3)C2=O)cc1 1330681035 KQXQQZFOPJIQMH-AWEZNQCLSA-N 379.463 1.398 0 50 GDAA CN1CCN(c2cc(NC[C@H](c3c(F)cccc3F)N(C)C)ncn2)CC1=O 274907649 MMCHFHSYFZUBIF-OAHLLOKOSA-N 390.438 1.748 0 50 GDAA CC(C)N(C)c1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cn1 191413832 CAQIOWHXFFNMPA-UHFFFAOYSA-N 393.513 1.562 0 50 GDAA CN(C)CCCNC(=O)CC[C@@H]1CN(Cc2cccnc2)CC[C@@H]1N(C)C 207537231 MESQIVCBKTWWFY-UXHICEINSA-N 375.561 1.682 0 50 GDAA Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc(S(N)(=O)=O)c1C 1704337384 VYDGWTRYJMEILV-VNQPRFMTSA-N 393.509 1.280 0 50 GDAA COCC(=O)N1CCC[C@@]2(C(=O)NCCc3scnc3C)CCN(C)C[C@H]12 1800413437 HOKGBIDHQGTHPY-QFBILLFUSA-N 394.541 1.070 0 50 GDAA C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 5998197 YUSHKOVSUQANJS-OAHLLOKOSA-N 381.480 1.856 0 50 GDAA O=C(NCCN1CCCC1=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12573113 BBUWLTVDHAOCQK-MRXNPFEDSA-N 375.444 1.345 0 50 GDAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14538463 GOFSYQGZWGAAFK-UHFFFAOYSA-N 391.516 1.630 0 50 GDAA CCN1CCN(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)CC1 19791503 QTLILACCAJBMQR-UHFFFAOYSA-N 386.504 1.219 0 50 GDAA Cc1c(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)cnc2ccnn12 1857673067 MRAKWLXNXXVTCG-OAQYLSRUSA-N 391.431 1.927 0 50 GDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3cc(C)no3)[C@@H]2c2ccccc2)C1 1857708296 MBGWGSYXULZARK-QRFRQXIXSA-N 396.447 1.420 0 50 GDAA O=C(c1ccc2c3c(cccc13)CC2)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 329866570 BDQQEWNXCZLLDL-UHFFFAOYSA-N 397.460 1.203 0 50 GDAA CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CCC(=O)OC)c(=O)n(C)c3nc12 8706161 YZSVOBLMHCQQFR-JTQLQIEISA-N 375.429 1.300 0 50 GDAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 264614522 AMZVUALLVXRFIE-MRXNPFEDSA-N 387.480 1.431 0 50 GDAA O=S1(=O)CC[C@](O)(CNc2nc(-c3ccccn3)nc3sccc23)C1 858558267 MBODSEVNXPKERD-INIZCTEOSA-N 376.463 1.715 0 50 GDAA CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1875269803 IJUYYPQRJSLDGR-JKJDWNRSSA-N 395.500 1.925 0 50 GDAA C[C@@H]1OCC[C@]1(F)C(=O)NCCC(F)(F)Cn1cc(-c2cnccn2)nn1 1875356388 JLSABYHAJZGTDE-MEDUHNTESA-N 384.362 1.394 0 50 GDAA CC[C@H](C)CC(=O)NCC1(C(N)=O)CN(C(=O)c2ccsc2C(=O)OC)C1 1875346804 BUHMAPXILDYQDM-NSHDSACASA-N 395.481 1.015 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 1875313685 WWJWTJNREULWGO-ZDUSSCGKSA-N 389.433 1.436 0 50 GDAA C=CC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(-n2cccn2)n1 1875389534 RSXIJKFHVOLGPD-KRWDZBQOSA-N 388.431 1.532 0 50 GDAA CC(C)n1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 2325776251 HCTVTUTWYHSGOE-UHFFFAOYSA-N 380.445 1.750 0 50 GDAA CO[C@@H](C)C(=O)N1CC[C@]2(C1)c1ncn(C)c1CCN2C(=O)C1CC(F)(F)C1 2325776928 NUWWVAUXUQREBX-SGTLLEGYSA-N 396.438 1.313 0 50 GDAA COCC[C@@H](NC(=O)Cc1cc2nc[nH]c2cc1Br)C(=O)OC 2325780133 JLHZRGLOZAHTHR-LLVKDONJSA-N 384.230 1.562 0 50 GDAA C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(c3ncnc4c3NC(=O)CO4)C2)O1 2325780464 JCNYXLRHTHDZJP-QVKFZJNVSA-N 395.463 1.677 0 50 GDAA COc1ccc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1-c1ccn(C)n1 2325785955 VTGLCFPPPWTJAA-GDIGMMSISA-N 395.463 1.862 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@]2(COc3ccccc32)C1 2325796680 CWJHNJZTIVQRRO-QUCCMNQESA-N 399.472 1.669 0 50 GDAA CCOC(=O)c1sc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1C 921205 JNUNNLFQPHJCDS-UHFFFAOYSA-N 375.406 1.853 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(Cc4cnc(N5CCOCC5)s4)C[C@@H]13)O2 2356148729 PAUTXYYHDNRFHZ-DFEOGRTESA-N 378.542 1.521 0 50 GDAA CN1CCN(c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 22310879 XXSLPEQGDZSFLB-UHFFFAOYSA-N 380.514 1.049 0 50 GDAA NC(=O)NCc1cn(C2CCN([C@@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 20598143 AEQMBZZJMVTFBY-GOSISDBHSA-N 387.463 1.501 0 50 GDAA O=S(=O)(NCc1cccnc1N1CCc2ccccc2C1)N1CCOCC1 20351243 XFDYTLNBBIXLQM-UHFFFAOYSA-N 388.493 1.311 0 50 GDAA CC[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C[C@H](CC)O1 421274079 QOGGTZYNLQTLOX-RYUDHWBXSA-N 392.408 1.556 0 50 GDAA CN(C)C(=O)CN1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67740146 ZSZQASRKEXMGDJ-UHFFFAOYSA-N 399.451 1.589 0 50 GDAA Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1 67983365 RZLGTQIQDKQREU-CQSZACIVSA-N 378.436 1.691 0 50 GDAA Cc1nc(CCNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)no1 71497570 CFRRTMVKSRMFAQ-CQSZACIVSA-N 387.440 1.026 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 71764240 GQYGZVNEMJYIQG-CQSZACIVSA-N 378.425 1.557 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc(CO)c3)c2)CC1 71774926 ZJQWBMZWZJFUJJ-UHFFFAOYSA-N 390.461 1.480 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 71422320 IUUYIFTZNBNDRU-LJQANCHMSA-N 390.572 1.654 0 50 GDAA CN(CC(=O)O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 328648505 URXMKUFCJNRJLU-ZDUSSCGKSA-N 393.871 1.700 0 50 GDAA COc1cc2ncn(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)c2cc1OC 216691964 CBLKUTVNLTWRJE-CYBMUJFWSA-N 377.397 1.029 0 50 GDAA COc1cccc(NC(=O)C[C@H]2COCCN2C(=O)CN2CCCCC2)c1 72447796 DIJKKKMCJJWLSN-KRWDZBQOSA-N 375.469 1.737 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]3C1=O 77485452 YKESGKDVBMZOLY-DBSRCYSRSA-N 396.422 1.802 0 50 GDAA COCCCNS(=O)(=O)c1cccc(C(=O)N2CCC(F)(F)CC2)c1 216080925 TWAARDSMDDIUTK-UHFFFAOYSA-N 376.425 1.873 0 50 GDAA NC1(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 71439514 GGNKRMRJJXKTFF-LJQANCHMSA-N 398.551 1.540 0 50 GDAA CN1CCC(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)CC1 426399078 SNRNWBLCGIRTNB-MRXNPFEDSA-N 376.549 1.045 0 50 GDAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)c1ccc4nc(O)nc(O)c4c1)C[C@@H]3C2 285242742 GSLMMFOWOCMWFU-NOORDTQPSA-N 377.422 1.085 0 50 GDAA O=C(NC[C@@H](O)c1ccccc1F)c1ccc(N2CCCS2(=O)=O)cc1 175586293 SGIKPUABSAGENB-QGZVFWFLSA-N 378.425 1.829 0 50 GDAA OCCO[C@@H]1COCC[C@H]1Nc1cc(C(F)(F)F)nc(N2CCCC2)n1 222398326 MQRIUBCYTQQICD-VXGBXAGGSA-N 376.379 1.674 0 50 GDAA CC(C)CCN1C[C@]2(CCCN(C(=O)Cc3cc(=O)[nH]c(N)n3)C2)CCC1=O 95513323 UJUXBHACBHBIGY-HXUWFJFHSA-N 389.500 1.172 0 50 GDAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCCCC1)CC2 91706883 JUMJCKXPICLQJQ-UHFFFAOYSA-N 380.514 1.625 0 50 GDAA CN(C)c1nc(N)nc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91725146 IXODKKIYTHILHV-FQEVSTJZSA-N 398.467 1.620 0 50 GDAA CS(=O)(=O)Nc1cccc(NC(=O)N2CCN(c3ncccn3)CC2)c1 95517908 IALNZDLZROUZAG-UHFFFAOYSA-N 376.442 1.202 0 50 GDAA CCn1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 95497790 GMPMVHFGZAGJHT-UHFFFAOYSA-N 382.468 1.552 0 50 GDAA COc1cccc(CC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c1 91746746 APUVMMWSLQSJLQ-UKBAYJJMSA-N 376.497 1.414 0 50 GDAA Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)o1 55042520 FRYOUSGCXKYDJM-NADMHLTPSA-N 383.452 1.240 0 50 GDAA Cc1[nH]ccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299765250 DGMUUXNXXXRSNY-SFHVURJKSA-N 388.512 1.402 0 50 GDAA CC(C)CC(=O)N1CCC(NC(=O)NCCNC(=O)c2cccnc2)CC1 299652320 PRGDGNZKBMXBOL-UHFFFAOYSA-N 375.473 1.148 0 50 GDAA Cc1ncsc1C(=O)NCC1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 952990032 VGURTJAGKKFAJB-OAHLLOKOSA-N 385.555 1.718 0 50 GDAA COC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)c(C)o2)c(OC)c(OC)c1 268164843 UDGGVQMPBAAGKP-UHFFFAOYSA-N 398.393 1.292 0 50 GDAA O=C([C@H]1CCCCS1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 272794014 BKCFRTLKBNDHSQ-CQSZACIVSA-N 394.522 1.682 0 50 GDAA COc1cccc2c(C)cc(N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)nc12 1616076325 HRCMMMMDJOVWAT-HIFRSBDPSA-N 379.482 1.240 0 50 GDAA CC(C)Oc1ccccc1OCCN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616073134 FDCQXVYYPYQFJZ-CVEARBPZSA-N 386.514 1.037 0 50 GDAA Cc1nccn1CC(=O)NC[C@H]1CCCN(c2ccc(Cl)c(C(=O)O)n2)C1 1506417037 FYBSWWGIOFVKHQ-CYBMUJFWSA-N 391.859 1.971 0 50 GDAA Cn1cc(CN2CCC(CNC(=O)CCN3CCCCCC3=O)CC2)cn1 1506421930 LGLQRTCOEBYQDF-UHFFFAOYSA-N 375.517 1.541 0 50 GDAA O=S(=O)(c1cccc(NC(=S)NCc2ccco2)c1)N1CCOCC1 5041373 BBIYWXVURMGJBD-UHFFFAOYSA-N 381.479 1.787 0 50 GDAA O=C1CN(CC(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)C(=O)N1 12314511 ILQCRJPVHQVRMX-NRFANRHFSA-N 384.480 1.095 0 50 GDAA Cc1oc(-c2cccs2)nc1CNC(=O)Cn1nnnc1CN1CCCC1 12581875 RYDIYMWWWQBRJZ-UHFFFAOYSA-N 387.469 1.610 0 50 GDAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccccn3)C[C@H]12 14732153 YUTZKPDDVGBKGF-VQTJNVASSA-N 389.459 1.317 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 4750130 MALLPOVYYPXGKG-UHFFFAOYSA-N 395.506 1.424 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(CCO)CC1 153960274 RZHQOKHFTNHBLJ-UHFFFAOYSA-N 379.258 1.589 0 50 GDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCc4ncnn4C)C3)nc2c1 1857672555 GZCBRGRXXKKXJL-AWEZNQCLSA-N 398.467 1.930 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3CCC[C@@H](NS(C)(=O)=O)C3)c2n1 1857674869 BIACOFFPJVYFHL-UONOGXRCSA-N 379.486 1.245 0 50 GDAA CCS(=O)(=O)N1CCC2(CC1)OCCc1cc(C(=O)NC3CC3)sc12 1857692826 WHSUJDYZHIINQK-UHFFFAOYSA-N 384.523 1.854 0 50 GDAA 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Cn1cc(C(=O)NCCCNC(=O)c2cccc(Br)c2)n(C)c1=O 900481625 BGXHVCGVMVICNM-UHFFFAOYSA-N 395.257 1.036 0 50 GDAA Cc1nc[nH]c1CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2 1704327858 IMNJAUYILBZWJG-PBHICJAKSA-N 390.434 1.898 0 50 GDAA CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 864097555 WLDALXHBYVSATA-UHFFFAOYSA-N 394.906 1.462 0 50 GDAA CC(=O)N1CC2(C1)[C@H](C(=O)NCC1CC(c3ccccc3)C1)CCS2(=O)=O 1875395936 QFYSRKOJDWWDEL-VJFUWPCTSA-N 390.505 1.332 0 50 GDAA CN(C)C(=O)[C@H]1c2cnn(C)c2CCN1C(=O)CC1CCN(CC(F)F)CC1 1875394821 XXNNMGLOUJGLIO-GOSISDBHSA-N 397.470 1.301 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)COC(F)F)C2 1875395604 GNUNNIZZLSKKJX-ZDUSSCGKSA-N 381.427 1.174 0 50 GDAA C[C@]1(NC(=O)CCN2C(=O)CCC2=O)CCN(C(=O)c2scnc2Cl)C1 1875322367 QIDRNDNCFYUKIO-INIZCTEOSA-N 398.872 1.056 0 50 GDAA Cc1nc(CC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)COCC4CC4)C3)C2)n[nH]1 1875322110 IPBZCAFHQKDFKZ-IAGOWNOFSA-N 389.500 1.169 0 50 GDAA Cc1cc(C)nc(N2CCC(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)CC2)n1 1875402753 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398.419 1.234 0 50 GDAA CN1C(=O)[C@](CC(=O)NCCn2cncn2)(Cc2ccccc2)c2ccccc21 71749043 HZRVHDZUXFSULF-QFIPXVFZSA-N 389.459 1.942 0 50 GDAA O=c1[nH]c2ccccc2cc1CN1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72434712 BRBGCTRGYDJFFT-MOPGFXCFSA-N 387.505 1.221 0 50 GDAA O=C(C[C@@H]1CCc2ccccc2C1)N1CCC(N2CCS(=O)(=O)CC2)CC1 363912828 UCZCWXBJTDLKGI-QGZVFWFLSA-N 390.549 1.903 0 50 GDAA CN(C)CCN1CC2(CCN(C(=O)CCOc3ccccc3)CC2)OC1=O 77388611 YMOXSHQYQFDALG-UHFFFAOYSA-N 375.469 1.831 0 50 GDAA CCNc1cc(C)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 72437780 XETDHKVNNPOJTL-UHFFFAOYSA-N 382.468 1.295 0 50 GDAA CC(C)Sc1nnc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)s1 72117303 KBCOIJIFBQEUSG-UHFFFAOYSA-N 393.560 1.496 0 50 GDAA O=C(NCc1ccc(-c2nnn[nH]2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 171820198 AETSTDIUCNWJMX-INIZCTEOSA-N 383.456 1.411 0 50 GDAA CN1CCC[C@@]2(CCN(c3nc(-c4ccncc4)nc4c3cnn4C)C2)C1=O 72169269 WFSPXQPXPOULSB-FQEVSTJZSA-N 377.452 1.874 0 50 GDAA O=C(O)c1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 262149206 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MFIVDXHMKSMQGN-NRFANRHFSA-N 395.463 1.976 0 50 GDAA COc1ccccc1Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2cnn(C)c2)n1 1857701984 UUFZXCCWJGIQBA-OAHLLOKOSA-N 390.451 1.922 0 50 GDAA CN1CCn2nc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4C3)cc2C1=O 1857708065 SHAGFKIWTNYXIQ-UHFFFAOYSA-N 376.420 1.557 0 50 GDAA CCCSCC(=O)NC[C@H]1[C@H]2CN(c3nccc(=N)[nH]3)C[C@]23CC[C@H]1O3 1857714817 NAPYLXMGVZJXKN-HNSFDTNUSA-N 377.514 1.132 0 50 GDAA O=C([C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1C[C@@H]2CNC[C@@H]2C1 1857715976 QFHZCDVBPYYFDE-HRCADAONSA-N 397.504 1.160 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)Cc2ccc(O)c(Cl)c2)[C@H]1c1cnn(C)c1 1857722591 ZKRIBWBUYKTABB-HKUYNNGSSA-N 392.887 1.852 0 50 GDAA COc1cccc(CN2CCC(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1857728987 INXDVYWWOAKLOY-UHFFFAOYSA-N 398.511 1.833 0 50 GDAA O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CC[C@H](CO)[C@@H](O)C1 1857737497 PBKBRFRRNXNWCN-AEFFLSMTSA-N 389.473 1.476 0 50 GDAA NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CC1CCCC1)NS2(=O)=O 3647770 BKYKPTRYDKTTJY-ZDUSSCGKSA-N 379.891 1.598 0 50 GDAA in-man Cc1noc(CCNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 119672635 DIQXFIHTJYHXPI-CYBMUJFWSA-N 392.843 1.618 0 50 GDAA COc1cccc(CNC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)c1 328607098 UMMBQPLRKMJPSD-KRWDZBQOSA-N 384.480 1.716 0 50 GDAA Cc1ccc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)nn1 247934002 RLEIDTBKPHJQTJ-SFTDATJTSA-N 381.524 1.585 0 50 GDAA CC[C@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)N(C)Cc1ccccc1 253406375 ZCCBZBFQQZIBTI-HXUWFJFHSA-N 387.524 1.994 0 50 GDAA O=c1cc(CCn2cccn2)nc(-c2ccccc2CN2CCC[C@@H](O)C2)[nH]1 23379776 JDYUPLHWMBMFDY-GOSISDBHSA-N 379.464 1.833 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 907757332 DKBDUSSFZBBDRE-DYVFJYSZSA-N 386.414 1.971 0 50 GDAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@H](C)c2cc(OC)no2)ncn1 1875399379 ARKCIJNNGGLPJL-MGPQQGTHSA-N 376.461 1.220 0 50 GDAA CC[C@@H]1CN(C(=O)c2cnn3ccncc23)CC[C@@H]1NC(=O)c1c[nH]nc1C 1875333533 AGGSALPHQBHSGD-CJNGLKHVSA-N 381.440 1.432 0 50 GDAA CC[C@@H](F)C(=O)N1C[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@@H]2C1 1875330321 NVBFBRCFSQUAKC-HZSPNIEDSA-N 396.488 1.400 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2C[C@@]3(F)CCOC[C@@]3(C(=O)OC)C2)c1 1875380222 ITVPIRFZIHRXJA-MOPGFXCFSA-N 376.384 1.555 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N=[S@]2(=O)CCCC3(C2)OCCO3)c1 1875371902 PGZUPVVMYFNTJS-SANMLTNESA-N 380.422 1.662 0 50 GDAA CN1CC[C@@H](CNC(=O)[C@]2(O)CCc3cc(Br)ccc3C2)CC1=O 888100391 GOHVZZRZPJWOHI-XIKOKIGWSA-N 395.297 1.654 0 50 GDAA CCOC(=O)c1sc(NC(=O)CSc2nc(OC)cc(=O)[nH]2)nc1C 12413771 CSHGFSMQBZJYJN-UHFFFAOYSA-N 384.439 1.451 0 50 GDAA Cc1cccc(-c2nc(N[C@H]3CCC(=O)NC3=O)cc(N3CCN(C)CC3)n2)c1 1857797789 RBLLLLXSBGZJQQ-INIZCTEOSA-N 394.479 1.421 0 50 GDAA CCCCS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 2325793005 BIQYKUDRAMAPPB-PMPSAXMXSA-N 384.542 1.839 0 50 GDAA CN1CCN(Cc2ccc(CN(C)C(=O)c3nc[nH]c4nccc3-4)cc2)CC1 2325810963 TUKHBHIGHIOEGP-UHFFFAOYSA-N 378.480 1.929 0 50 GDAA CCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(CNC(=O)c3cccc(F)c3)C2)C1 2332238112 ZMDRHTHLPIVCNV-LWGFOQHQSA-N 396.484 1.808 0 50 GDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(CCS(=O)(=O)c2ccc(C)cc2)S1 859538 XBHVHJCDWIQAFH-MRXNPFEDSA-N 383.495 1.877 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)CCNC(=O)c2ccccc2F)CC[C@@H]1O 2356156317 VYBLWXCVCRBBCS-HNAYVOBHSA-N 380.416 1.410 0 50 GDAA COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)c(C)n23)n(C)c1=O 4250738 OPVNMMGFCCUMNV-CYBMUJFWSA-N 395.419 1.489 0 50 GDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccc(OC)cc1OC 8991059 OSJRBBKDYHLFAH-IRXDYDNUSA-N 389.452 1.896 0 50 GDAA CN(C)C[C@H](O)COc1ccc(CN2CCCN(c3ncccn3)CC2)cc1 20515390 SAIXMIOAWIRSGX-IBGZPJMESA-N 385.512 1.490 0 50 GDAA O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H]1CCN(c2ncccc2F)C1 246192241 PBWBMLWAACYHKA-KBPBESRZSA-N 388.422 1.912 0 50 GDAA CC[C@H](N)C(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 67725132 RPSLIAWTNBBXIX-KRWDZBQOSA-N 383.496 1.770 0 50 GDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2 72430485 YWJDUOZGUBJODQ-KRWDZBQOSA-N 382.464 1.732 0 50 GDAA Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C(C)C)cc1 230089136 JYVWUQCUTWIYEX-LNLFQRSKSA-N 375.513 1.663 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(O)=N3)C[C@H]1c1ncc[nH]1 328629958 PHTZKCPTBWBCCD-HNNXBMFYSA-N 389.481 1.966 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1c1ncc[nH]1 328643369 YVGXYLLEMOXRQU-VIFPVBQESA-N 391.316 1.911 0 50 GDAA C[C@@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)C(=O)NCc1ccccc1 150925638 HEAQGMPGPWLKMY-GDBMZVCRSA-N 385.443 1.804 0 50 GDAA CN1CCO[C@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)C[C@@H]21 332799440 ZXEJJQULBDRHAG-IRXDYDNUSA-N 379.432 1.349 0 50 GDAA O=C(CCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1)Nc1nncs1 71661788 RBYAHFWYBFDSDQ-AWEZNQCLSA-N 378.429 1.866 0 50 GDAA COc1ccc(NC(=O)c2csc(CCN)n2)cc1-n1nnnc1C1CC1 262378605 NJWUWHVLBSYNQK-UHFFFAOYSA-N 385.453 1.758 0 50 GDAA COc1nc2c(cc1CNC(=O)c1ccc(N)nc1)C(=O)N(C1CCCC1)C2 71774781 KNTBVTCABILXIG-UHFFFAOYSA-N 381.436 1.896 0 50 GDAA CN(Cc1cc2ccccc2o1)C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 174691857 PPKIJTZJSIWCIZ-UHFFFAOYSA-N 381.392 1.287 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426402049 UAXCUFMDIBHEPE-KRWDZBQOSA-N 394.475 1.905 0 50 GDAA COc1ccc(CC(=O)N2CCC(c3nccn3CC(N)=O)CC2)cc1OC 96132242 NORVGWAFSPGWRG-UHFFFAOYSA-N 386.452 1.334 0 50 GDAA CN(C)c1nc2c(c(N3CCC(c4nccn4CC(N)=O)CC3)n1)CCCC2 96149612 IZGMFLKNKYFYIM-UHFFFAOYSA-N 383.500 1.487 0 50 GDAA CNc1nc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)nc2c1CCC2 95374492 VNHPJXJZEASNCD-AWEZNQCLSA-N 393.499 1.764 0 50 GDAA O=C1COc2c(F)cc(NC(=O)NCc3noc([C@@H]4CCCO4)n3)cc2N1 97730233 LVNQTTBTROSRDR-NSHDSACASA-N 377.332 1.713 0 50 GDAA CN(C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1CCNC1 179086410 XFHQQSDAFADRQK-KRWDZBQOSA-N 377.444 1.959 0 50 GDAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1cnnn1 95519841 KPBIITBUEUQTGG-QGZVFWFLSA-N 398.511 1.028 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCN(Cc4ccccc4C)CC3)n2C)C1 244852584 UVBZNXLBEMFBJG-MXVIHJGJSA-N 396.539 1.823 0 50 GDAA CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)CC2 181753911 YFKUZVYRUXAUTJ-DLBZAZTESA-N 396.495 1.989 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2CCCC[C@H]2c2ccnn2C)cc1 296205034 WFORJKYSUOHWOV-KRWDZBQOSA-N 376.482 1.837 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc(OC)c3c(c2)OCO3)c1O 253623732 JBKMYUHSVFAXTD-VIFPVBQESA-N 390.348 1.024 0 50 GDAA biogenic COc1ccc2cnn(CC(=O)N[C@H](CO)c3ccccc3)c(=O)c2c1OC 252494608 NZRLLDYIBJDGGV-OAHLLOKOSA-N 383.404 1.264 0 50 GDAA CCCCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 952872497 OMRSPKSMKYINQV-SFHVURJKSA-N 396.509 1.785 0 50 GDAA CN(CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1)C1CCCC1 1565509479 WTRSJYDEBYKYFP-ROUUACIJSA-N 376.453 1.912 0 50 GDAA CC(C)n1cnnc1CN1CC[C@]2(O)CCN(C(=O)C3CCCC3)C[C@@H]2C1 1565507453 AACWKFARSIYPTJ-PXNSSMCTSA-N 375.517 1.835 0 50 GDAA Cn1cc([C@H](O)CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1 170005420 NFZPWGHEXIGCOS-GFCCVEGCSA-N 381.314 1.952 0 50 GDAA COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1C 170617165 SLDVOPMTXREOCR-UHFFFAOYSA-N 385.424 1.991 0 50 GDAA Cn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 170602279 VMQUFFFQIHQUGU-UHFFFAOYSA-N 383.373 1.192 0 50 GDAA CC(C)(C)NC(=O)CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 170618630 ZJQFKUIVUTZAIU-HOTGVXAUSA-N 398.463 1.609 0 50 GDAA CC[C@@]1(CO)CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 187518287 DYFCCEFNUAQIFQ-QGZVFWFLSA-N 379.486 1.050 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CSc1nccn1C 1506423902 YPEIVJAIULLZMX-GFCCVEGCSA-N 383.499 1.324 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2nc(O)c3sccc3n2)C1 1506407371 VFWGYEFYCIKFNS-NSHDSACASA-N 386.499 1.432 0 50 GDAA COc1ccc(OC)c(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)c1 1056946 LSKVWKUNJKCSLR-LFIBNONCSA-N 393.424 1.743 0 50 GDAA CN1CC[C@]2(C(=O)NCCc3cccnc3)CCCN(C(=O)c3ccc[nH]3)[C@H]2C1 1775980099 UFWNZEXUSXXOKL-SIKLNZKXSA-N 395.507 1.695 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(Br)cc1 12384300 UHWJQNAJTAMMIE-WBOJAVRRSA-N 399.237 1.835 0 50 GDAA CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCNC(=O)CC1 19225357 VXYQLILYGRTALS-UHFFFAOYSA-N 391.475 1.928 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N=C1C 169771928 NQZPJNZAZNIAEI-UHFFFAOYSA-N 385.829 1.747 0 50 GDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nc2ccccc2[nH]1 206231654 GWQHHXMBUQGNIL-MRXNPFEDSA-N 377.404 1.710 0 50 GDAA NCCCC(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857681080 XKJXZGRMIOUVOA-GOSISDBHSA-N 393.459 1.162 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCc2cnc[nH]2)C1)c1ccccc1 1857687484 TUQSTZLQWZCCKU-GHTZIAJQSA-N 381.480 1.495 0 50 GDAA CSCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCCO)sc12 1857692692 PSCIDHGNQRCLAC-UHFFFAOYSA-N 384.523 1.224 0 50 GDAA CCN1CCC2(CC1)OCCc1cc(C(=O)N[C@H]3CCCNC3=O)sc12 1857694263 IIHSUDDDYMPJNL-AWEZNQCLSA-N 377.510 1.640 0 50 GDAA O=C1CCCN1CC(=O)N1CCC[C@]2(C1)CN(C1CCCCC1)CC[C@H]2O 1857694477 PMAHWDWKYCEMMA-WIYYLYMNSA-N 377.529 1.617 0 50 GDAA O=C(c1ccccc1-n1cncn1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857716680 OXJZAOMCVCZJJX-IRLDBZIGSA-N 392.459 1.696 0 50 GDAA CCc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4ccccn4)[C@H]4CC[C@]3(C2)O4)nc1 1857719890 WUAFNLWEQYTYBH-LTVCHDBBSA-N 379.464 1.848 0 50 GDAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCO[C@]2(CCNC2)C1 1857722285 FWBWTRKIDDGNKQ-YJYMSZOUSA-N 386.477 1.240 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H]1c1cnn(C)c1 1857734992 BOZLAZXABGYHKP-ICSRJNTNSA-N 386.452 1.222 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCC(F)CC2)C[C@H]1NC(=O)c1cnc(C)nc1 1875249380 ZXCMPDPMNXBOIP-IAOVAPTHSA-N 378.448 1.659 0 50 GDAA CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)cn1 328790090 YPVRGJLZNODSJV-LBPRGKRZSA-N 384.444 1.762 0 50 GDAA Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](C(=O)O)C[C@H](c2cnn(C)c2)C1 868455700 RYTFKHBREPIQNA-QWHCGFSZSA-N 395.410 1.888 0 50 GDAA Cn1c(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc2ccncc21 1875305517 VFAWNEQGVNHALC-UHFFFAOYSA-N 382.449 1.239 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ccc(-c3cnc[nH]3)cc2)ncn1 1875398220 HOXZZBJZTQNUEU-QZTJIDSGSA-N 393.495 1.980 0 50 GDAA O=C1COc2cc(Br)cc(C(=O)NCc3nc(C4CC4)n[nH]3)c2N1 1875320565 FNDQCHQOMITSNN-UHFFFAOYSA-N 392.213 1.706 0 50 GDAA CCc1cc(C(=O)N2CC[C@H](N=c3nc(O)c4cnn(C)c4[nH]3)C[C@H]2C)no1 1875303839 PQBMGZYWCDSJTQ-MNOVXSKESA-N 385.428 1.146 0 50 GDAA CC1(c2nocc2C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCS3(=O)=O)C2)COC1 1875396285 ASGHTVVTOGHMDZ-QMTHXVAHSA-N 394.371 1.154 0 50 GDAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)o1 1775957347 OZKFDTWGEILBGC-GDBMZVCRSA-N 397.435 1.758 0 50 GDAA CCCNS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1 4788296 VMSVIRQLTHBXDL-UHFFFAOYSA-N 376.862 1.266 0 50 GDAA COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1Br 2883258 XGDTVILZRBUEJF-UHFFFAOYSA-N 377.260 1.344 0 50 GDAA Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ncc(C[C@@H]3COCCO3)s2)C1 2325769468 HKXOPSOHHJLTDV-CHWSQXEVSA-N 377.470 1.856 0 50 GDAA COC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)c1cn([C@H]2CCOC2)cn1 2325826668 JEGHSJCSKVTGMF-JSGCOSHPSA-N 377.372 1.203 0 50 GDAA Cc1cc(Br)ccc1CS(=O)(=O)NCC1(O)CC(C(=O)O)C1 2325875466 SQCGFVQYDGTOLH-UHFFFAOYSA-N 392.271 1.403 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)N(C)C2=NS(=O)(=O)c3ccccc32)cc1 1216071 CLDLWNXAUXQCSN-UHFFFAOYSA-N 379.463 1.611 0 50 GDAA Cn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCOCC3)CC[C@H]2O)c2ccccc21 2356138428 BESBHPRBLXMDSM-POZUXBRTSA-N 385.464 1.297 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCc2ccccc2)C[C@H]1N=c1[nH][nH]c(=N)s1 2356146337 BQVIDKMUKFASIZ-RRFJBIMHSA-N 375.498 1.327 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c[nH]1 6793708 JCNLEFLOGIYCBW-UHFFFAOYSA-N 391.449 1.515 0 50 GDAA COc1cc(CNC(=O)[C@@H]2CCCN2c2ccccc2)ccc1OCC(N)=O 225622521 ZTRSTLCGFTXVMR-KRWDZBQOSA-N 383.448 1.845 0 50 GDAA CC(=O)N[C@@H](C(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1)C(C)C 67842604 CESMAHNIWVOGMU-GOSISDBHSA-N 384.436 1.851 0 50 GDAA O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 72438416 INMHBVOWKHIZPQ-QFBILLFUSA-N 382.464 1.871 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)[C@@H]2COc3ccccc3C2)CC1 39478303 FVNJUWFPKBAXAJ-IBGZPJMESA-N 394.475 1.618 0 50 GDAA C[C@H](CCc1cccc(F)c1)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCNC1 328620692 AAJBXKKFCORULF-BEFAXECRSA-N 388.487 1.408 0 50 GDAA 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CSc1ncccc1C(=O)N1CC[C@@]2(O)CCN(C(=O)N(C)C)C[C@H]2C1 91657066 FWNWDPZKDAPBDI-FZKQIMNGSA-N 378.498 1.384 0 50 GDAA CN(Cc1ccoc1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 97515094 KJJSTNYLTMEANF-CQSZACIVSA-N 378.450 1.867 0 50 GDAA COc1ccccc1CN1CCN(CC(=O)Nc2cccc3nonc23)CC1 22752288 RSFOWNILEGJCCT-UHFFFAOYSA-N 381.436 1.988 0 50 GDAA CC(C)=CCN1CC2(CCN(c3nccc(N4CC[C@H](O)C4)n3)CC2)CC1=O 91943031 FEALJINFPINXFB-KRWDZBQOSA-N 385.512 1.833 0 50 GDAA COc1ccc(CN(C)CC2CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95496893 QGEOVPCFVNZZDJ-IBGZPJMESA-N 377.529 1.524 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccccc1-c1ncc[nH]1 244741977 NZZQCPBONHGBHP-RTBURBONSA-N 377.448 1.837 0 50 GDAA COc1cncc([C@@H](NC(=O)c2ccccc2-n2cnnc2)[C@H]2C[C@@H](O)C2)c1 252535840 HAGBHIHEULCFPU-OHNRDTAOSA-N 379.420 1.913 0 50 GDAA CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 297695496 AMVUASHCRBPHDN-UHFFFAOYSA-N 385.467 1.197 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)NCc2csc(-c3cnccn3)n2)cc1 670444033 BTFNCEOXKKVWJU-UHFFFAOYSA-N 375.435 1.178 0 50 GDAA CO[C@@](C)(C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)c1ccccc1F 170613615 MAADSKKUYZPJDY-OXJNMPFZSA-N 387.411 1.668 0 50 GDAA COc1cc(OC)cc([C@@H](NC(=O)Cn2ccc(C)cc2=O)c2nccn2C)c1 194380148 LGYMYINLOOHKQN-HXUWFJFHSA-N 396.447 1.813 0 50 GDAA CNc1nc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cs1 1529158486 FGKWVNFFFYQAAV-HZPDHXFCSA-N 393.465 1.777 0 50 GDAA CN1CCC(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529155735 ZMAFTJBCGDDMSG-MSOLQXFVSA-N 379.888 1.696 0 50 GDAA COc1ccc2cc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)ccc2c1 1529199128 VPWYNEVJJHWJRP-PKOBYXMFSA-N 378.494 1.533 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)CCc3nc(-c4ccco4)no3)C[C@@H]12 1704339669 VTPAUHCXDPCFMZ-KUHUBIRLSA-N 388.424 1.660 0 50 GDAA CCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)[C@H]1O 1704315701 BOJPOQRKMJPFRO-DLBZAZTESA-N 398.891 1.114 0 50 GDAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 815874 SLEPPVDXMLTFAE-UHFFFAOYSA-N 377.393 1.855 0 50 GDAA CCc1nc(CN(C)C(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)no1 1772810533 LBUJONHPABQPCU-GFCCVEGCSA-N 391.497 1.689 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(CO)C2)ccc1Cl 1772703841 JPYHXUIGWVPWGG-MEBBXXQBSA-N 375.830 1.058 0 50 GDAA Cc1c(C(=O)NC[C@H]2CCCO2)sc2ncnc(N3CCN(C)CC3)c12 12190961 YOLBXGZSBWMWHN-CYBMUJFWSA-N 375.498 1.660 0 50 GDAA COc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1Cl 12380393 WRQMVWHXSGQCTQ-LBPRGKRZSA-N 389.905 1.277 0 50 GDAA CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12650458 ICXFOSPOHBGELQ-UHFFFAOYSA-N 394.324 1.778 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(CCc3ccccc3)C[C@H]12 14749108 YZKNMAXRWABZDF-VQTJNVASSA-N 379.460 1.189 0 50 GDAA COc1ccc(CN2CCCO2)cc1OC[C@@H](O)CN1CCCN(C)CC1 19791329 KAWYVOVMSRUNIJ-SFHVURJKSA-N 379.501 1.210 0 50 GDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC)cc1 19799553 ATRKAUKAWDBQHT-UHFFFAOYSA-N 391.497 1.870 0 50 GDAA CC(C)c1nc(CNC(=O)CCCn2nnnc2CN2CCOCC2)cs1 19836632 AVRJRGQWHTWKCR-UHFFFAOYSA-N 393.517 1.182 0 50 GDAA COC(=O)Cc1ccc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1459010 SJOZVVPYVKUCFO-MRXNPFEDSA-N 391.493 1.422 0 50 GDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(Cc2cn[nH]c2)CCCN1 1875240168 KIZMEBJFOWIWLP-IBGZPJMESA-N 383.496 1.802 0 50 GDAA Cc1ccc2oc(N3CCC(c4nc([C@@H](C)O)nn4CC(=O)O)CC3)nc2n1 1875242512 WEMYDPBFUIXQGK-LLVKDONJSA-N 386.412 1.645 0 50 GDAA O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@H](O)CN1 152328871 NREAPOQZDVAQFX-LSDHHAIUSA-N 383.286 1.336 0 50 GDAA COc1cc(CN2CC[C@H](NC(=O)CNC(=O)c3ccccc3)C2)cc(OC)c1 363617042 KBVIJRVOQVKGQG-SFHVURJKSA-N 397.475 1.824 0 50 GDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1[nH]c3ccccc3c1Cl)C2 1704336371 GZRNQOQJZYHWPW-RYUDHWBXSA-N 377.828 1.679 0 50 GDAA O=C(Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@H]1CCCS(=O)(=O)C1 922758592 XSMGEWKRCORQRV-INIZCTEOSA-N 388.493 1.662 0 50 GDAA CCN1C(=O)CC[C@H](CNC(=O)c2nnn3ccccc23)[C@H]1c1cnn(C)c1 1875284265 UKAZDEGFNSUNRY-ACJLOTCBSA-N 381.440 1.192 0 50 GDAA CCN1CC2(CCN(C(=O)[C@H](Cc3ccsc3)NC=O)CC2)[C@@H]2COC[C@@H]21 1875321286 BSGHUJPLTJLDNG-SQNIBIBYSA-N 391.537 1.365 0 50 GDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 1875370891 HSQPBMMQAAVCMH-ZWKOTPCHSA-N 383.492 1.764 0 50 GDAA Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 1875311535 DPWIJESAHQJOKV-MTFMMBMASA-N 396.491 1.752 0 50 GDAA O=C(Cc1csc(-c2cnccn2)n1)N1CCc2nc[nH]c2[C@]12CCNC2 2325768804 QDXXJRPSAJTCGT-GOSISDBHSA-N 381.465 1.139 0 50 GDAA CC[C@H](Oc1ccc(CO)cc1)c1cn(CC(=O)N[C@@H]2CCSC2)nn1 2325793423 UCCAGCSSWQLPNA-PBHICJAKSA-N 376.482 1.922 0 50 GDAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1OC 804403 DSSBZDRSBRHOPJ-OAHLLOKOSA-N 377.418 1.904 0 50 GDAA Cc1nnc2n1CCN(C[C@]1(O)CCCN(CCC3CCCCC3)C1=O)CC2 67803231 BNBDTMIWQIBWST-OAQYLSRUSA-N 389.544 1.769 0 50 GDAA O[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC[C@H]1c1ccc2c(c1)OCO2 67713526 JRRJWOJLLITXBF-JKSUJKDBSA-N 384.436 1.397 0 50 GDAA C[C@H](C(N)=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67490777 REGWFGJAVNDXFG-GFCCVEGCSA-N 385.424 1.375 0 50 GDAA Cc1ccc2oc(=O)n(CCC(=O)N3CCCn4nc(C(=O)O)cc4C3)c2c1 65382905 DPAADDBZENPYDQ-UHFFFAOYSA-N 384.392 1.620 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(c3ncccn3)CC2)C1 71760305 IZOJHOFKYRHDJQ-QGZVFWFLSA-N 380.496 1.869 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)N=C(O)CO3)C[C@@H]1c1ncc[nH]1 328628705 NYMRCIGIXBPJLL-CYBMUJFWSA-N 377.426 1.068 0 50 GDAA CCN(Cc1nc(COC)no1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 215563047 PGAMQZVLXKBMFV-UHFFFAOYSA-N 382.442 1.129 0 50 GDAA CC[C@@H](C(=O)N1CCc2c(ncnc2N(C)C)C1)N1Cc2ccccc2C1=O 71752583 LEDCEYWRWUFXKN-SFHVURJKSA-N 379.464 1.862 0 50 GDAA O=C(Nc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)ccn1)C1CC1 285315159 XFILBSGWLFCUEO-UHFFFAOYSA-N 392.459 1.957 0 50 GDAA CNC(=O)c1cccnc1N1CCC(Oc2ccccc2OC)(C(=O)O)CC1 82137159 CZNUMHYZBIYUPP-UHFFFAOYSA-N 385.420 1.952 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(O)c3cccc(F)c3n1)C2 426691365 XKMXAJBABYHGMG-UHFFFAOYSA-N 397.410 1.958 0 50 GDAA CN(CC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1)C1CCCC1 95372315 OXQFEYVKWWCNBS-INIZCTEOSA-N 385.516 1.640 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)o1 95368837 AKKKQQMQYRCILU-UHFFFAOYSA-N 389.496 1.745 0 50 GDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C3)c1 96133068 OWGZMJOOSFIMEA-CQSZACIVSA-N 389.477 1.795 0 50 GDAA O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc2[C@H]1O 291182778 HLTPLARGNQUOBS-UYAOXDASSA-N 382.464 1.840 0 50 GDAA CCc1nc(C)c(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)s1 23337771 YBKZHRVXKLJVOG-AWEZNQCLSA-N 391.497 1.133 0 50 GDAA Cc1noc(C)c1CCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 96132549 GCLKAPRFFAWIIW-UHFFFAOYSA-N 398.471 1.399 0 50 GDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)nc2c1CCC2 95358821 CPJCHNNTKBTKKP-INIZCTEOSA-N 379.464 1.376 0 50 GDAA O=C(O)[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)CCO1 299747870 FLAXRZSCEKSZCM-CQSZACIVSA-N 398.253 1.809 0 50 GDAA O=C(Cc1cccnc1)N1CCOC2(CCN(C(=O)c3cncc(O)c3)CC2)C1 828930782 ACZQBZIPCHFFJW-UHFFFAOYSA-N 396.447 1.259 0 50 GDAA Cc1cc(=O)cc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)o1 828407781 UMFLRNHNEAAOHQ-BRFBUHTJSA-N 379.460 1.246 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnc(CN3CCCC3)s1)C2 1565511012 QUEAUKLUBGBWSR-HOTGVXAUSA-N 378.542 1.922 0 50 GDAA COc1ncc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1C(N)=O 268589750 UXUXBRGTTRPSLQ-GFCCVEGCSA-N 387.415 1.976 0 50 GDAA CC(C)(C)n1cc(CNc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)nn1 276627379 NHHZBAQCFNOQNC-UHFFFAOYSA-N 393.513 1.791 0 50 GDAA C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1nnc(C3CC3)o1)C2=O 170607726 CFWQWCGURCEDNN-NSPYISDASA-N 389.456 1.700 0 50 GDAA Cc1ccc(-c2ccc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc2)o1 1529120600 FNBNKJPQWIACAP-ZWKOTPCHSA-N 378.494 1.939 0 50 GDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCCC(=O)O 214945734 LIAJGFRNCJSOJQ-UHFFFAOYSA-N 379.450 1.442 0 50 GDAA in-vitro COc1cccc([C@H]2CN(C(=O)c3ccc(CO)o3)C[C@@H]2C(=O)O)c1OC 220165233 HSAMYNWXEOTNSI-KGLIPLIRSA-N 375.377 1.730 0 50 GDAA O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCCN(CCCc2ccccc2)C1 12076296 GIXUAIZYSVJXIQ-SFHVURJKSA-N 384.480 1.140 0 50 GDAA CC(C)CCn1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13152766 YFZFLBIXWMOELA-ZIAGYGMSSA-N 377.489 1.089 0 50 GDAA O=C1CN(C(=O)c2cnc3ccccc3n2)CCN1Cc1ccc2c(c1)OCO2 19850180 OIEPOTRNDOQVIL-UHFFFAOYSA-N 390.399 1.843 0 50 GDAA COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC 2830372 JTQMSIFNXJYRIN-UHFFFAOYSA-N 392.477 1.683 0 50 GDAA Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@H]3COCCO3)C2)c(Cl)c1 1857530424 LWTSESWPTOHIIC-WMLDXEAASA-N 380.872 1.984 0 50 GDAA CN(CCn1cc(Br)cn1)C(=O)c1cc2c(cc1F)OCC(=O)N2 1857531084 BINZRUFEDISVQB-UHFFFAOYSA-N 397.204 1.888 0 50 GDAA COc1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccncc2)CC[C@H]3O)ccn1 1857681303 IEXPJRHEALUKGA-WIYYLYMNSA-N 382.464 1.979 0 50 GDAA CCc1noc(CN2CCOC3(CCN(Cc4nccs4)CC3)CC2=O)n1 1857681490 LBGFOBXVEAIBFV-UHFFFAOYSA-N 391.497 1.872 0 50 GDAA Cn1ncc2c(N)nc(N3CCC[C@@]4(CCc5c(O)nc(C6CC6)nc54)C3)nc21 1857696915 QKLFFFDHCSKIGI-HXUWFJFHSA-N 392.467 1.803 0 50 GDAA CCCC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3cccs3)C[C@]23CC[C@H]1O3 1857721431 OLJDJWLMZVKODP-ZOMKSWQUSA-N 384.523 1.833 0 50 GDAA CCCn1nccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 212709418 PTQFUHWJUOIVRY-WBVHZDCISA-N 384.484 1.712 0 50 GDAA C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](N)C1 158509444 JJTJPQGWAHQSKU-WCQYABFASA-N 389.315 1.809 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O 265332506 UFZJLJDDMZRPIO-IRXDYDNUSA-N 387.480 1.815 0 50 GDAA C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)C(=O)Nc2cccc(F)c2F)C1 874226009 DUNCNLZPANLDAR-AWEZNQCLSA-N 379.285 1.573 0 50 GDAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cc1cnnn1C 952893066 HDUSMZUCYAFZCK-LJQANCHMSA-N 394.479 1.819 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H](C4CC4)C3)CC2=O)cc1OC 1875296633 GSFKCTWBNQYBGP-CVEARBPZSA-N 388.464 1.942 0 50 GDAA CN1CC[C@H](CNC(=O)[C@]2(O)CCc3cc(Br)ccc3C2)CC1=O 888100390 GOHVZZRZPJWOHI-SGTLLEGYSA-N 395.297 1.654 0 50 GDAA O=C(c1nc2ncc(CCO)cn2n1)N1CCNC[C@H]1c1cccc(Cl)c1 2325795172 LQEANCFOFATGRL-HNNXBMFYSA-N 386.843 1.099 0 50 GDAA COC(=O)[C@H]1CC12CCS(=O)(=NC(=O)C1=CNC3=NCCCC3=C1)CC2 2325811032 YVEWXZMQKUFRLG-QIQINQEMSA-N 377.466 1.560 0 50 GDAA O=C(N[C@@H]1CN(C(=O)C2(OCc3ccccc3)CC2)C[C@H]1O)C12CC(F)(C1)C2 2325838900 CEWINQRVHCYGID-JZFKGDSASA-N 388.439 1.316 0 50 GDAA COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCCC1 1360725 XBHJFLGWTUFMFJ-UHFFFAOYSA-N 375.450 1.805 0 50 GDAA CC1=C(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)[C@@H](c2ccoc2)NC(=O)N1 67975687 OEXPVFMSRZIVMO-MRXNPFEDSA-N 393.407 1.447 0 50 GDAA COCc1noc(Cc2nc3c([nH]2)C[C@H](c2ccccc2OC)CNC3=O)n1 65488262 UYCSYDCLWKGUOP-NSHDSACASA-N 383.408 1.608 0 50 GDAA Cc1nc(C)c(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)nc1C 11816346 MAXGBOVPJNELHT-NHCUHLMSSA-N 396.539 1.554 0 50 GDAA COc1cccc(CN2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72430396 AFMYWQNMLRACGL-RBUKOAKNSA-N 390.509 1.210 0 50 GDAA Cc1nc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)nc2c1CCC2 219477006 AQTCXEWLJFAFKU-SFHVURJKSA-N 377.452 1.403 0 50 GDAA COc1nc2c(cc1CNC(=O)C[C@@H]1CCC(=O)N1)C(=O)N(C1CCCC1)C2 71751372 KVRBXRKGXDVRRC-ZDUSSCGKSA-N 386.452 1.274 0 50 GDAA CCCc1nn(-c2ccccc2)c(=O)n1CC(=O)N(C)Cc1cnn(C)c1C 77503587 BEGLODUHILXGFG-UHFFFAOYSA-N 382.468 1.687 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@H](C)N)CC2 77470193 XYTRPIPONDCCTR-AWEZNQCLSA-N 379.526 1.729 0 50 GDAA CC[C@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1ccccc1 72437471 YIOKKNRNWPJXAF-INIZCTEOSA-N 381.542 1.890 0 50 GDAA CN(Cc1ccccc1)Cc1cc2n(n1)CCN(C(=O)CCn1cncn1)C2 72425993 AVCZPNHGJMGYLM-UHFFFAOYSA-N 379.468 1.539 0 50 GDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2n1 426515823 ZNMSDLYFPARTTD-UHFFFAOYSA-N 392.341 1.615 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 220079936 SXGKYJYBOGYITG-INIZCTEOSA-N 389.481 1.637 0 50 GDAA COc1ccc(N2CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2=O)cc1 82160952 MATVVJYZHSBFBE-UHFFFAOYSA-N 377.404 1.969 0 50 GDAA CC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)s1 82108320 NWPJHFATYNNFGQ-ZDUSSCGKSA-N 378.450 1.879 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 95384921 OLCHTKICEPWUDN-INIZCTEOSA-N 382.472 1.443 0 50 GDAA CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 95370455 XMSDERFLTMMHMU-UONOGXRCSA-N 383.477 1.970 0 50 GDAA O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@@H]1C(=O)O 290895992 DMVABXJGRPSDKY-RQJHMYQMSA-N 387.357 1.563 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 518976265 ZKBXZOQPRACUGD-HNNXBMFYSA-N 379.482 1.069 0 50 GDAA O=C1N[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)Cc2ccccc21 95374745 LVJRHONMUCZHSA-FQEVSTJZSA-N 379.460 1.564 0 50 GDAA CCc1cnc(C)nc1N1CCN(C)[C@]2(CCC(=O)N(CCOC)CC2)C1 91364847 XRJOPZBDBFROIE-FQEVSTJZSA-N 375.517 1.497 0 50 GDAA Cc1nn(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(=O)c2ccccc12 91416937 CDVJAJVKFIXYBO-SFHVURJKSA-N 376.416 1.144 0 50 GDAA COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1Br 237208243 JHPSEOGQWRTART-MWLCHTKSSA-N 393.303 1.872 0 50 GDAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCN(c2ccnc3nncn23)CC1 299766716 GVTXLWXUNYCJMH-CYBMUJFWSA-N 384.465 2.000 0 50 GDAA CCc1nc(CN2CCC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)C2)n[nH]1 952872782 BYSSWSVHLTUTLM-OAHLLOKOSA-N 385.468 1.667 0 50 GDAA Cc1ncsc1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565529770 JQENQGAQFLDTKK-CABCVRRESA-N 385.493 1.937 0 50 GDAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 1565516324 PQYBOMSTLPYCDP-XOBRGWDASA-N 383.452 1.749 0 50 GDAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1c[nH]c2cc(N3CCOCC3)c(F)cc2c1=O 1565515670 FGYISSRKVZRPSP-SDDDUWNISA-N 387.411 1.411 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c(C)nn(C)c3Cl)O2)n1 275395436 ZYIFKFYCYYDZOA-ZJUUUORDSA-N 375.838 1.272 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 275710054 OANFHZXFHNPUQH-LLVKDONJSA-N 389.221 1.446 0 50 GDAA Cc1nn(C)c(-n2cccn2)c1C(=O)NCC(=O)N1CCCc2ccccc21 170601019 BFXZGDOPTICROS-UHFFFAOYSA-N 378.436 1.623 0 50 GDAA COc1ccc([C@@H](CNC(=O)N2CCS(=O)(=O)CC2)N2CCCCC2)cc1 279120939 QDXXWLADQMMDGX-GOSISDBHSA-N 395.525 1.662 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1 622901 XGZZXULYTSLCPX-QMJOVRGKSA-N 391.452 1.803 0 50 GDAA COc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2cncc(=O)[nH]2)CC1 1529117915 DUOMRCKTDLCHJP-UHFFFAOYSA-N 390.827 1.420 0 50 GDAA CN(C)Cc1cccc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)c1 1529191832 FRFDFSWVVDOUQK-RTWAWAEBSA-N 381.476 1.963 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3nc(N)c4cnn(C)c4n3)C1)CC2 1704326492 FZVZDGYFRHSMSJ-IBGZPJMESA-N 379.472 1.286 0 50 GDAA O=C(CN1C[C@H]2CN(Cc3ccccn3)C[C@]2(CO)C1)N1CCc2ccccc21 1772710684 QXWAZGGBQPVCOH-AUSIDOKSSA-N 392.503 1.397 0 50 GDAA CN(C)[C@@H]1CCN(C(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)C1 11934736 QMHKYCMPURBMNC-OAHLLOKOSA-N 395.525 1.266 0 50 GDAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12002020 FDPDOXKCKUUNAC-AWEZNQCLSA-N 386.495 1.011 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOC(C)C)c(F)c1 12373617 YPWWRORKCOZRNO-QGZVFWFLSA-N 381.448 1.066 0 50 GDAA CCOC(=O)c1cccnc1NCc1cccnc1N1CCN(C(C)=O)CC1 12613176 XOIXLGFIAFLAMB-UHFFFAOYSA-N 383.452 1.934 0 50 GDAA CCc1ccc(-n2c(C)cn3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1 13815117 FLFPIKFNDAMTMF-UHFFFAOYSA-N 381.436 1.656 0 50 GDAA CO[C@@H]1CN(CCCN2CCCC2=O)C(=O)CN(C(=O)c2cccs2)C1 14530965 SAHMZJTWEOCOKP-CQSZACIVSA-N 379.482 1.060 0 50 GDAA O=C1[C@H]2CN(Cc3cnn(-c4ccc(F)cc4)c3)CCN2C(=O)[C@H]2CCCN12 14749415 ONQBDEXFGZFTPP-QZTJIDSGSA-N 383.427 1.029 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cnccn2)cc1 14975932 DOMKYVREQJQKGG-LJQANCHMSA-N 397.479 1.224 0 50 GDAA Cc1ccn2cc(CNC(=O)CCC(=O)N3CCC4(CC3)OCCO4)nc2c1 19146778 MEVHRGPIPVPWND-UHFFFAOYSA-N 386.452 1.405 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c(=O)n1 1857678140 BZZKDZYHMIWRBR-OAQYLSRUSA-N 396.447 1.136 0 50 GDAA CC(C)(N)C(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCCCCC3)C2)C1 1857694202 DVNLCKCLUPKMBY-UTKZUKDTSA-N 379.545 1.896 0 50 GDAA Cc1ncc(C)c(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CN(C)C(C)C)C3)C2)n1 1857694292 JSNPLPCQHKQFKU-NQIIRXRSSA-N 389.544 1.613 0 50 GDAA COc1nccnc1N1C[C@@H]2[C@H](CNC(=O)c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857734046 BKINOLVLVZWNLZ-BIZBXSGISA-N 380.448 1.899 0 50 GDAA O=C(COc1ccccc1)NC[C@H]1[C@H]2CN(C(=O)C3CCC3)C[C@]23CC[C@H]1O3 1857735677 GNGQGJYRPNOMIJ-JZJXAQOMSA-N 384.476 1.988 0 50 GDAA O=C1Nc2ccc(S(=O)(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c3cccc1c23 1857739968 BGAPGPJUECHHDR-BEFAXECRSA-N 399.428 1.127 0 50 GDAA COCCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 411262542 COTKXKNONPOAOK-GDBMZVCRSA-N 381.494 1.993 0 50 GDAA COC[C@]1(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)OCCc2ccccc21 263087716 AAFJPPWCPFTPII-UVFQYZLESA-N 376.453 1.853 0 50 GDAA Cc1nnc(CNC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)s1 1875350156 CUERXUQRDXRTDB-UHFFFAOYSA-N 393.432 1.585 0 50 GDAA COC(=O)C1(CN)C[C@@H]2CN(C(=O)[C@H](CN)Cc3ccc(Cl)cc3)C[C@H]2C1 1875304200 DAEIVWTXQFZHLD-ARFHVFGLSA-N 393.915 1.444 0 50 GDAA NCCc1ccc2c(c1)CCCN2C(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775961805 BBDSOUWNERKLMQ-UHFFFAOYSA-N 395.507 1.630 0 50 GDAA COc1ccc([C@H]2NC(=O)[C@@H]3COC4(CCC4)CN3C2=O)cc1Br 2325809003 QRQJWDILCZRHPS-GXTWGEPZSA-N 395.253 1.779 0 50 GDAA CC1(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)CCCC1 2325878564 UOOATNRFJHKMOK-ZIAGYGMSSA-N 378.473 1.052 0 50 GDAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356157442 LDYJSHUHKRUHLW-WIYYLYMNSA-N 383.400 1.936 0 50 GDAA Cc1cnccc1N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCNC(=O)C1 2356160265 KOJLKOXXTDDBKP-KPUOSGPGSA-N 392.503 1.403 0 50 GDAA CO[C@H](CNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1)C1CC1 414342953 PYBXMEMYCQJKGE-GFCCVEGCSA-N 378.244 1.851 0 50 GDAA O=C1CCC(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)=NN1 65507960 NHLFFOLCXLFKHY-UHFFFAOYSA-N 380.408 1.134 0 50 GDAA CN(Cc1cc(-c2cccnc2)no1)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 20535800 STXCOPRVSRCDHL-LJQANCHMSA-N 397.479 1.828 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)cc1C 12386062 TXUGSFSSDHRSCZ-KRWDZBQOSA-N 386.452 1.341 0 50 GDAA O=C(N[C@@H](O)C(Br)(Br)Br)C(F)(F)F 31350541 YPRWUHITXSFUFV-SFOWXEAESA-N 393.779 1.822 0 50 GDAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1C 328654157 XGUNIGPYEBVGEA-DOTOQJQBSA-N 396.557 1.583 0 50 GDAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 72117418 LYGQOROMFHXOMD-GOSISDBHSA-N 395.525 1.707 0 50 GDAA O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CC2(CCNCC2)CN1 72151502 LLSXQGWUOCTOOG-SFHVURJKSA-N 375.488 1.722 0 50 GDAA Cc1cccc(=O)n1CCCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 219973929 IYVJPEAJEACUGF-FQEVSTJZSA-N 383.492 1.954 0 50 GDAA CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1 262187332 QTZMUDCJIYCYJS-UHFFFAOYSA-N 378.450 1.718 0 50 GDAA CN(Cc1cc[nH]n1)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 77556450 IKHYGDWBCKKYQJ-UHFFFAOYSA-N 395.419 1.389 0 50 GDAA COC[C@@H]1[C@@H](NC(=O)CCc2nc(-c3ccccc3F)no2)[C@@H]2CCO[C@@H]21 222328344 LIXDTVVAPARUIZ-GGNLRSJOSA-N 375.400 1.974 0 50 GDAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 241884813 SXZYGMGLYKLEQG-ZDUSSCGKSA-N 399.479 1.868 0 50 GDAA COc1cc(C(=O)O)ccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1 263365254 VVKJXLNBFBOUTP-UHFFFAOYSA-N 377.441 1.446 0 50 GDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)c2n1 426691354 WBSWJLJXFSAAPK-JTQLQIEISA-N 382.302 1.205 0 50 GDAA Cc1cccc(CN2CCN(C(=O)NCCc3nc(C)cc(O)n3)CC2=O)c1 426438625 KMSHENQCZVXFME-UHFFFAOYSA-N 383.452 1.396 0 50 GDAA CCOC(=O)N1CCC(S(=O)(=O)N2CC(COc3ccccc3)C2)CC1 288670619 SQKZZWRYYYEAQC-UHFFFAOYSA-N 382.482 1.948 0 50 GDAA COc1ccc(N2CCN(C(=O)NCCSc3nc[nH]n3)[C@@H](C)C2=O)cc1 426387251 JKOWBBVKJSXLKX-LBPRGKRZSA-N 390.469 1.352 0 50 GDAA CCC(C)(C)NC(=O)CN1C[C@@H]2c3ccc(OC)cc3OC[C@]2(C(=O)O)C1 95505405 LAHNVGWSNIMDLH-FOIQADDNSA-N 376.453 1.863 0 50 GDAA COc1ccc2[nH]cc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c(=O)c2c1 95392047 IWQBCBVLTNWNTM-XIKOKIGWSA-N 383.404 1.821 0 50 GDAA CC[C@H]1CN(C(=O)c2ccccc2N2CCS(=O)(=O)CC2)CCN1C(C)C 92004216 SLMYEJVLODVYDQ-KRWDZBQOSA-N 393.553 1.866 0 50 GDAA O=C(CCc1nnc(O)nc1O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253623926 TVDACWUDMVFIPL-KRWDZBQOSA-N 390.403 1.998 0 50 GDAA CS(=O)(=O)N1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 252502169 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O=C(O)C1(CNS(=O)(=O)c2cccc(Br)c2)CCOCC1 165946107 VMNSGMZOHLQROP-UHFFFAOYSA-N 378.244 1.609 0 50 GDAA O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@@H](O)C1 170609885 KSAJPSLYKWLECN-HUUCEWRRSA-N 393.509 1.563 0 50 GDAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)c1 1529172855 QMPYOLSZLLBDOH-INIZCTEOSA-N 380.452 1.645 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1 814518 CQHQPQWQKKGVNL-UHFFFAOYSA-N 376.434 1.493 0 50 GDAA CC(C)c1noc(CN2C[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@]3(CO)C2)n1 1772816082 HAGYVUYJPITGIM-VFNWGFHPSA-N 396.495 1.996 0 50 GDAA Cc1cnc(C(=O)N2C[C@@H]3CN(c4ncccc4F)C[C@]3(CN(C)C)C2)cn1 1772804168 IGDKMLIEJSPGIG-MGPUTAFESA-N 384.459 1.459 0 50 GDAA CCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 11791169 WUCLNOXVALDFRQ-UHFFFAOYSA-N 378.432 1.936 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)NCCCN2CCCc3ccccc32)nn1 12435427 IAHQPBGRFZZMQI-UHFFFAOYSA-N 398.511 1.719 0 50 GDAA O=C(CCn1cncn1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 15065161 ZNLUXLNVALFYOV-LJQANCHMSA-N 386.475 1.621 0 50 GDAA CCOC(=O)CN(C)Cc1ccccc1OC[C@H](O)CN1CCSCC1 15072300 ACNBYHBMYNYSLE-QGZVFWFLSA-N 382.526 1.470 0 50 GDAA CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 15074965 QMSOOWMUMBIBHT-INIZCTEOSA-N 385.867 1.712 0 50 GDAA COCCN(CCOC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1802314 XWLDKQHXBWVZHJ-QGZVFWFLSA-N 398.525 1.517 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3c(c2)CCCC3)ncn1 1857527359 RHWQOLUGOGILNS-RTBURBONSA-N 395.507 1.791 0 50 GDAA O=C(CCn1cnnn1)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2 1857682007 FSCHLVAZTXHLCF-PBKGOJFUSA-N 390.394 1.008 0 50 GDAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCN(c2nc[nH]n2)CC1 1857737584 TZDRREHAVPXCKQ-GFCCVEGCSA-N 397.464 1.116 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cnc3ccccn3c2=O)[C@H]1c1ccccc1 1875244727 RDYJIQABMGXJBX-ICSRJNTNSA-N 392.459 1.838 0 50 GDAA O=C(CCc1cccnc1)N[C@H]1CC[C@H](C(=O)NCCCc2ncc[nH]2)C[C@@H]1O 1875248432 PTKCXKOXWHSSHA-BZSNNMDCSA-N 399.495 1.132 0 50 GDAA CCCn1cc(CN2CCCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)cn1 153267003 CGPNGFLAKSATEA-KRWDZBQOSA-N 383.562 1.778 0 50 GDAA C[C@H](C(=O)N=[S@@](C)(=O)C1CCNCC1)N1CCN(c2ccc(F)cc2)CC1 1875276553 ARIBTIUXFRNNEL-RXAIFQJESA-N 396.532 1.713 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CS(=O)(=O)C23CCCCC3)c1 1875371452 BHHUQHGSZKYLEB-OAHLLOKOSA-N 378.450 1.746 0 50 GDAA c1ccc(CN2CCN3C[C@@H](NCCc4nnc5ccccn45)C[C@H]3C2)cc1 1875311383 XHCZSDSYJPLSJO-PMACEKPBSA-N 376.508 1.820 0 50 GDAA Cn1cc([C@@H]2CN(Cc3ncccn3)C[C@H]2C(=O)N2CCOCC2(C)C)cn1 888103174 MNRRTUHEMJQIJQ-DLBZAZTESA-N 384.484 1.063 0 50 GDAA Cn1ncc(Cl)c1C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962736 BFDOTXBHBOZLES-UHFFFAOYSA-N 380.876 1.707 0 50 GDAA Cn1cc(C(=O)N2NC(=O)C[C@@]23CCCN(Cc2cccc(Cl)c2)C3)cn1 1775960454 MMOVLWIGJKYSAP-LJQANCHMSA-N 387.871 1.985 0 50 GDAA COC(=O)N[C@H]1CSC[C@@H]1OC(=O)CCCN1C(=O)c2ccccc2C1=O 1070845 OKODJPFVRVYCFG-KBPBESRZSA-N 392.433 1.446 0 50 GDAA Cc1cc(Br)cc2cc(CNC(=O)[C@@H](O)C3(O)CCOCC3)[nH]c12 2325781219 YFJMUKQUXBJMRF-OAHLLOKOSA-N 397.269 1.757 0 50 GDAA CC(=O)N[C@@H]1CN(C(=O)c2ccc(N3CCC(C)=N3)cc2)C[C@H]1c1nccn1C 2325782509 BXWMNCMQFNUEQE-RTBURBONSA-N 394.479 1.750 0 50 GDAA CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc3cnnc(O)c3c2)C1 2325820808 DRIGFSMPRPLATO-IBGZPJMESA-N 391.475 1.881 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCc2nc(C3CC3)nn2CC1 2356134648 WJVCFNLZUCFYSZ-UHFFFAOYSA-N 377.448 1.864 0 50 GDAA O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)o3)C[C@@H]12 2356148358 SJUCVVBOGSXREA-HTQZYQBOSA-N 392.311 1.747 0 50 GDAA O=C(NCCCn1cccn1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356155179 AHVVRLKSSMWOGL-KUDFPVQQSA-N 379.464 1.721 0 50 GDAA CNC(=O)Cc1nc(-c2ccc3cccc(F)c3n2)n(C[C@@H]2COCCO2)n1 2356166090 OAVZLVRWSXNVOP-CYBMUJFWSA-N 385.399 1.336 0 50 GDAA Cc1cc2nc(CN(C)C(=O)Cn3nnnc3CN3CCCC3)[nH]c2cc1C 23505746 AWNPUBXAJHKSJQ-UHFFFAOYSA-N 382.472 1.421 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3cnn(C)c3C)C2=O)c1 67967215 BHLDWMFIARNNSX-OAQYLSRUSA-N 386.496 1.723 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2C[C@@H]2C)c1C 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CN(CC(F)(F)F)C(=O)CN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 375802726 VXHAJSRVTFWIFN-STQMWFEESA-N 381.395 1.377 0 50 GDAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC(=O)N(Cc2ccco2)C1 237962743 WLIUYHIHYFKJSY-KSSFIOAISA-N 395.415 1.922 0 50 GDAA CN(Cc1ccccc1)C1(CNC(=O)[C@@H]2CNC(=O)C2)Cc2ccccc2C1 14959772 NKNLPZBUWZZLPM-FQEVSTJZSA-N 377.488 1.908 0 50 GDAA O=C1NC(=O)[C@H]2CN(C(=O)NCc3cc(Oc4ccc(F)cc4)ccn3)C[C@@H]12 458360631 HOWHAHJNHCJGMC-IYBDPMFKSA-N 384.367 1.427 0 50 GDAA CN(CCN1CCOCC1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 20271152 RFHVZVWYPQNIMO-UHFFFAOYSA-N 381.379 1.936 0 50 GDAA Cc1cc(O)nc(NCCNC(=O)c2cnn3c(C(F)(F)F)cc(C)nc23)n1 426500349 XHBZHSQIPWPZQD-UHFFFAOYSA-N 395.345 1.702 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccc(F)cc3)cc2C1 91914944 DEVWZPSULYBNKH-UHFFFAOYSA-N 380.445 1.046 0 50 GDAA Cc1nc(N(C)C)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 95378745 XTDHRGYEDMVITK-UHFFFAOYSA-N 383.452 1.538 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(c3nc4ccccc4s3)C[C@@H]2C1 95359216 QRVXPGWKCXEXDB-CXAGYDPISA-N 396.538 1.366 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cc1 95360303 BMTZJJPOTPXRJJ-DLBZAZTESA-N 383.514 1.253 0 50 GDAA COc1cc2c(cc1C(=O)N1CCC3(CC1)[C@@H](C(=O)O)CC(=O)N3C)CCC2 95384038 FDMSWDWMRTYZJD-MRXNPFEDSA-N 386.448 1.722 0 50 GDAA CN1CC2(CCC1=O)CCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)CC2 95518077 GXKKCGXGCJSUJS-SFHVURJKSA-N 383.492 1.864 0 50 GDAA CN(Cc1cccc2cnccc12)C(=O)c1cnc(Cn2cncn2)nc1O 91603050 YDEJPZFEMDVGAP-UHFFFAOYSA-N 375.392 1.642 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c(C)c1 95379238 PZGBUNRAIVAVKE-CQSZACIVSA-N 380.466 1.390 0 50 GDAA C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCCC3)C2)cc1 91794054 OVHNFZZXXSWFBR-AWEZNQCLSA-N 382.482 1.131 0 50 GDAA Cc1cccc(C(C)C)c1NC(=O)CN1CCCN([C@H]2COC[C@@H]2O)CC1 244723521 MDBWXLPCYQCJSF-OALUTQOASA-N 375.513 1.824 0 50 GDAA O=C(CCc1nc2ccccc2s1)N[C@@H]1CCN(c2cnccn2)C[C@H]1O 244858488 VMCONDIKUGFLPU-UKRRQHHQSA-N 383.477 1.775 0 50 GDAA Cc1cccc(N(CC(=O)N[C@@H](c2ncnn2C)C(C)C)S(C)(=O)=O)c1 244882872 YATZWAFEAXFNAT-MRXNPFEDSA-N 379.486 1.403 0 50 GDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc2c(c1)OCCO2 298783989 MRYVLBFLYXHDKM-UHFFFAOYSA-N 387.436 1.371 0 50 GDAA Nc1ccnc(-c2cccc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)c2)n1 534662767 PGKYGHFEHQHLBK-MRXNPFEDSA-N 375.436 1.915 0 50 GDAA O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccccc2)CC1 263617625 OTUBLZJEMINSPH-UHFFFAOYSA-N 391.475 1.724 0 50 GDAA COC[C@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccnn1C 534592028 UOXHKIYZQSHPKV-AWEZNQCLSA-N 378.864 1.688 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCC(=O)OC)CC[C@@H]1NC(=O)c1cc(CC)no1 1940198389 MMPCPIPMXLEPRR-QEJZJMRPSA-N 395.456 1.220 0 50 GDAA Cc1cccc(N2C[C@@H](NC(=O)N3CCN(C4CCOCC4)CC3)CC2=O)c1 584899524 AUMNMGKGCOWAAE-KRWDZBQOSA-N 386.496 1.607 0 50 GDAA Cn1cc(Cl)cc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670450063 JSODNSNQNUIPQM-QOSBUDKSSA-N 384.911 1.976 0 50 GDAA CN1C(=O)[C@@]2(CCCN(C(=O)COc3ccc4nncn4n3)C2)c2ccccc21 1506399743 QAJBXHPOPZDTBE-HXUWFJFHSA-N 392.419 1.040 0 50 GDAA CN1CCN(C(=O)c2cncc(N(C)C[C@@H]3CCN(c4ccccc4)C3)n2)CC1 1529113440 YZGHNEISNLHSDZ-SFHVURJKSA-N 394.523 1.827 0 50 GDAA CN(C)Cc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)cc1 1529174744 XLROOEUUWJTMIX-RTWAWAEBSA-N 381.476 1.963 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)CC2)c1 1704280238 XQTHSSLJESSCHY-WIYYLYMNSA-N 397.523 1.211 0 50 GDAA COc1ccc(CNS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1 1109592 RQIARRVMLHVZPW-UHFFFAOYSA-N 398.868 2.000 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 783905 LPAHLFHVAQZRGU-MRXNPFEDSA-N 382.482 1.391 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](CNc2noc(-c3ccccc3)c2C(=O)O)C1 1772700530 CGGPWQVROPVWOQ-LBPRGKRZSA-N 381.410 1.112 0 50 GDAA C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 11867216 KEJLIXOIQLDOLK-SJCJKPOMSA-N 393.399 1.289 0 50 GDAA CN1CCN(c2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2)CC1 15074516 WFWLUTNSIUJTJS-QGZVFWFLSA-N 382.464 1.793 0 50 GDAA O=C(c1ccc[nH]1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857682291 IIPPFKSEKHEGEB-HXUWFJFHSA-N 383.452 1.467 0 50 GDAA CN=c1ncc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)c[nH]1 1857713806 OSFBKPWGDBSCIN-QZTJIDSGSA-N 382.464 1.828 0 50 GDAA CCCNC(=O)N[C@H]1CC[C@H](C(=O)NCCc2ncc[nH]2)C[C@@H]1OCCC 1857721466 QDOFQHBHDXISRE-JYJNAYRXSA-N 379.505 1.742 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)CCN2CCCCCC2=O)[C@H]1c1cnn(C)c1 1857733008 QPDRCWCBWSKWPI-PXNSSMCTSA-N 391.516 1.043 0 50 GDAA O=C(COC[C@H]1CCOC1)N1CCN(CCOc2ccccc2Cl)CC1 117587487 VIMOOWSZOYPNBP-INIZCTEOSA-N 382.888 1.916 0 50 GDAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)cn1 328635106 ULQLAGONIGZODX-DOTOQJQBSA-N 380.470 1.895 0 50 GDAA CN1C(=O)[C@@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)CCN2C1=O 1875264202 JBHBNOYIBDTHJB-INIZCTEOSA-N 399.451 1.035 0 50 GDAA COc1ncc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1C(F)(F)F 1875402804 LXJPZVIBZIAGHK-ZLKJLUDKSA-N 384.358 1.875 0 50 GDAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1CN(Cc3ccncc3)C[C@H]1C(F)(F)F)C2 888103225 QVLOFVSBPLYWIX-HUUCEWRRSA-N 394.401 1.634 0 50 GDAA C[C@]1(C[C@@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)NC(=O)NC1=O 1322538422 NHKWFDDLYMABII-FKIZINRSSA-N 397.435 1.247 0 50 GDAA COC(=O)c1cc(COC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)nn1C 2325792480 ICUCCEBBPMVYQO-CQSZACIVSA-N 375.356 1.442 0 50 GDAA COc1ccc2ccnc([C@@H](C)N=c3ccc(C(=O)N4CCNCC4)n[nH]3)c2c1 2325793303 PDEXEJQLRZMXAD-CQSZACIVSA-N 392.463 1.674 0 50 GDAA Cc1nc(C2CC2)[nH]c1C(=O)N1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H](C(N)=O)C3)[C@H]1C2 2325872924 RSMFYLTWGIQQFC-DPZJBDQQSA-N 399.495 1.216 0 50 GDAA Cc1cnc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(=O)N(C)C)c2ccccc23)cn1 2356136014 CVAMOOLQPOSKFV-OAQYLSRUSA-N 393.447 1.004 0 50 GDAA Nc1cncc(-c2ccc(C(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)cc2)n1 2356155587 JCKZVEAWYKTDOL-SFHVURJKSA-N 387.443 1.909 0 50 GDAA COCCN=c1[nH]c2cc(C(=O)N3CCC[C@]34CCCN(C)C4=O)ccc2n1C 2356164899 LFARRDZDCDZIDP-NRFANRHFSA-N 399.495 1.281 0 50 GDAA CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(=O)O 4899702 JSYIEDVTWHTFDX-RYUDHWBXSA-N 386.474 1.168 0 50 GDAA 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CS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1 91646118 YIVWAFRMJVBTAL-IAGOWNOFSA-N 380.510 1.257 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)c(O)c1 91548436 ALDRMENLSASWEB-UHFFFAOYSA-N 384.436 1.660 0 50 GDAA CCN(Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1)C1CC1 95523383 RUCOPOVWGCGLSR-LJQANCHMSA-N 378.513 1.876 0 50 GDAA CN1CCN([C@H]2CCN(Cc3ccc(N(C)C)nc3)C[C@H]2CCCO)CC1 95389245 SHXWJGUFIUZUNT-UXHICEINSA-N 375.561 1.358 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnc(C(C)C)nc1)CC2 95528915 AXQRQMUFASRZBE-UHFFFAOYSA-N 398.511 1.846 0 50 GDAA COCCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1cn(C)cn1)CC2 95517973 KZHDZFCRMSXIRB-UHFFFAOYSA-N 378.454 1.142 0 50 GDAA CC[C@H](C)[C@@H](NC(=O)[C@H](C(C)C)n1c(O)nc2ccccc2c1=O)C(=O)O 248240363 OGVIIIBTINXGHG-GLQYFDAESA-N 375.425 1.915 0 50 GDAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)O)cc1 299751648 RCYPUEXOKNKANY-MRXNPFEDSA-N 398.481 1.361 0 50 GDAA CCOC(=O)N1CC[C@H](N2CCn3nc(CNC(=O)C4CCC4)cc3C2)C1 534667763 BZELYBXJSHHHJT-INIZCTEOSA-N 375.473 1.346 0 50 GDAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)NCCS(=O)(=O)N(C)C)cc1 534576696 NEALUXOZHNDXLF-KRWDZBQOSA-N 382.530 1.486 0 50 GDAA Cc1nnc(CN(C)C(=O)c2cccc(-c3c(C)nn(CC(N)=O)c3C)c2)o1 299757244 JZOVFMJMOICQGV-UHFFFAOYSA-N 382.424 1.616 0 50 GDAA CO[C@H]1COC[C@@H]1NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1 824506467 FMLQIQKOWVHJIR-IRXDYDNUSA-N 381.494 1.822 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)CN1C[C@H](c2ccccc2)CC1=O 824595821 COXCXYJBMBDMNZ-OAHLLOKOSA-N 392.419 1.626 0 50 GDAA COc1cccc(CN2CCN(S(=O)(=O)c3ccnn3C(C)C)CC2)c1 670440204 NWMLQYWYDBVREU-UHFFFAOYSA-N 378.498 1.979 0 50 GDAA CN(C)C(=O)N1CCN(CCCOCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073290002 YBCKDLWZIYJZGU-MSOLQXFVSA-N 395.525 1.058 0 50 GDAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCCS(=O)(=O)N1CCCC1 584899635 AHQCNSHPODWVPK-CQSZACIVSA-N 397.497 1.586 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 670443375 IGQVEUAMMOBTPR-GFCCVEGCSA-N 397.497 1.929 0 50 GDAA O=C(c1ccc(Cl)s1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 670450037 YOQCQOHQUUGHHC-UHFFFAOYSA-N 377.919 1.890 0 50 GDAA O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1ccccc1-c1ncc[nH]1 1565514249 NZZQCPBONHGBHP-OALUTQOASA-N 377.448 1.837 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 770163221 LYPSLTCLPHFVIO-KRWDZBQOSA-N 392.415 1.492 0 50 GDAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2noc([C@@H]3CCCO3)n2)CC1 1506396377 DVWVNLRIAYFXKZ-HNNXBMFYSA-N 399.517 1.160 0 50 GDAA COc1cccc(CN2CCOC[C@@H](C(=O)O)C2)c1OCCCn1ccnc1 1772812596 LOLQBOSBNXMJRR-KRWDZBQOSA-N 389.452 1.894 0 50 GDAA Cn1nccc1CCNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772814912 UZIXRGRYDVNJSV-CYBMUJFWSA-N 375.498 1.177 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N[C@H](Cn1cccn1)c1ccccc1 12050682 VLEYWXOBOCBHTF-QGZVFWFLSA-N 380.456 1.023 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)c1 19798962 GCHGCCYDTFCROQ-UHFFFAOYSA-N 392.415 1.530 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cn(-c3ccccc3)nn2)[C@H]1c1cnn(C)c1 1857690386 AFHFGHVUZMIWAV-OALUTQOASA-N 395.467 1.145 0 50 GDAA Cn1cncc1C(=O)NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3 1857713588 RFONJJKIODZXHB-XHYAQGIWSA-N 380.492 1.872 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4CC[C@@]5(CN(C)C(=O)O5)C4)CC3)nc2n1 1875244024 IZJGMKNSTVGVDT-HXUWFJFHSA-N 399.451 1.801 0 50 GDAA CCn1cnc2c(c1=O)CCN(CC(=O)NCc1cc(Cl)ccc1OC)C2 375724914 YMHVFDWXWVEBES-UHFFFAOYSA-N 390.871 1.600 0 50 GDAA C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccnc(-c2ccco2)c1 932116012 KKFSPPUFCLLRTI-FUHWJXTLSA-N 384.480 1.819 0 50 GDAA O=C([C@H]1CN2CCCN1CC2)N1CCC(c2nccc(N3CCCC3)n2)CC1 952891877 JVKJTCMRKVFYQY-GOSISDBHSA-N 384.528 1.173 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3nn(C)cc3Cl)C2)c1C 1875397734 LTBLRDFEIOEGJI-CYBMUJFWSA-N 391.907 1.551 0 50 GDAA CCN1C(=O)c2ccc(C(=O)OC[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)cc2S1(=O)=O 2325780814 RDCYHKDPWKIXOM-UKTSDXOISA-N 377.418 1.431 0 50 GDAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NC(=O)c3cccc(-c4cnco4)c3)C2)c1 2325786159 JGZPMDXFNMFPOY-CSMYWGQOSA-N 396.403 1.806 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)cn1 2356135932 ZBBNLMSUQGSGDC-GOSISDBHSA-N 389.481 1.161 0 50 GDAA O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)N1 2356135975 BBZXCICHNGHSCL-INIZCTEOSA-N 396.447 1.547 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(OC)c2OC)C1=O 2356149360 WOKLWSQEKIMFDY-HXUWFJFHSA-N 376.453 1.947 0 50 GDAA O=C1C[C@H](NCCCN2CCOCC2)C(=O)N1c1ccc(Br)cc1 2952798 BCRREGSZYKFEBW-HNNXBMFYSA-N 396.285 1.393 0 50 GDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O[C@H](C)C(=O)O)c(OC)c1 4196358 JUQKGIKRKGDJLN-BMIGLBTASA-N 378.381 1.738 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 246901562 XUOMLFICRHCUQK-QEEYODRMSA-N 386.496 1.129 0 50 GDAA COc1ccc(CNCCN2CCOCC2)cc1OC[C@H](O)CN(C)C(C)C 23374790 YUUXBMAZGHPVOD-LJQANCHMSA-N 395.544 1.197 0 50 GDAA COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 67622733 LSCLKZXNXVENCI-UHFFFAOYSA-N 383.514 1.262 0 50 GDAA CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cccc(F)c3)nn2)CN1 67678429 SCHOEJZZLMPWSH-SJORKVTESA-N 388.447 1.117 0 50 GDAA CCN(CCN1CCCC1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67816996 LCPTZXNANBXZPM-UHFFFAOYSA-N 387.527 1.198 0 50 GDAA CCCCS(=O)(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 67460343 CDKIYWCHABAMRG-UHFFFAOYSA-N 378.498 1.880 0 50 GDAA COc1ccccc1[C@H]1CN(C(=O)CCn2cncn2)[C@@H]2C3CCN(CC3)[C@H]12 72142958 AMTKJXUUXUDYPR-DUXKGJEZSA-N 381.480 1.766 0 50 GDAA CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 252510614 AREDJGAOBZFJHG-TWMKSMIVSA-N 397.468 1.800 0 50 GDAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cnn(C(C)(C)C)c3)cn2)C[C@H](C)O1 363128357 PCXOYSSNFRBSJI-KBPBESRZSA-N 388.472 1.723 0 50 GDAA Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1cccc2c1CCN2S(C)(=O)=O 367229325 DOVDSHGDAQDZDR-OAHLLOKOSA-N 389.481 1.941 0 50 GDAA COc1c(F)ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)c1F 71753092 LLIQDIKCMPYUGX-UHFFFAOYSA-N 390.390 1.799 0 50 GDAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(c1noc(-c3ccccc3)n1)C2 220174465 MQHZZOHESMSAOY-INIZCTEOSA-N 377.408 1.769 0 50 GDAA COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 227062895 DFLKDMMYWUGNSE-YGTYGHESSA-N 389.839 1.213 0 50 GDAA CN1CC[C@H](NC(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3F)cc2)C1 426477524 GZXCTRZXECLUDT-AWEZNQCLSA-N 377.441 1.574 0 50 GDAA Cc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)c2)cn1 426409270 HGZHMEBFKCPLSM-SFTDATJTSA-N 380.492 1.490 0 50 GDAA CCCc1cnc(C)nc1-c1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1 426674292 OMDYBJLOCWUTTK-GOSISDBHSA-N 382.464 1.728 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C 91988362 YYFONCRVOXORSX-QGZVFWFLSA-N 382.464 1.893 0 50 GDAA O=C(c1ccco1)N1CCN(C(=O)c2cnc(-c3cccnc3)[nH]c2=O)CC1 91907052 YVGDTBMLZCIFTA-UHFFFAOYSA-N 379.376 1.023 0 50 GDAA Cc1ccccc1CC1(NC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)CC1 96137059 YAWHVLOSLHKZRX-MOPGFXCFSA-N 385.508 1.271 0 50 GDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]2CC[C@H]1O2 239173936 OYNBLHHNRRTGQJ-KLHDSHLOSA-N 394.449 1.288 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)CCn1c(C)ccc1C)[C@H](C(N)=O)C2 253401703 FUHSAMXZUDMWFA-KRWDZBQOSA-N 385.464 1.951 0 50 GDAA biogenic Cc1cnccc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 64103445 AYEVTLIVOWEESH-LJQANCHMSA-N 384.455 1.878 0 50 GDAA CN(C)S(=O)(=O)N1CCC2(CC1)CN(C/C=C/c1ccccc1)CCO2 823724789 NLRHCEIELHTTJF-RMKNXTFCSA-N 379.526 1.673 0 50 GDAA Cc1c[nH]c(CN2CCOC3(CCN(C[C@H]4CCOC4)CC3)C2)c(C)c1=O 825243048 YANRQPZPNYIJQU-GOSISDBHSA-N 375.513 1.695 0 50 GDAA COCCc1noc([C@@H]2CCCN2C(=O)NCCn2nc(C)c(C)c2C)n1 584898663 YCIGFEQKKCLLMU-HNNXBMFYSA-N 376.461 1.927 0 50 GDAA O=C(NCC1CCN(CCS(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 952964053 AYSQYZJMHKDZBL-SFHVURJKSA-N 380.510 1.468 0 50 GDAA CCn1ccc(CN2CCC(CNC(=O)[C@H]3CCCCN3C(=O)OC)CC2)n1 952980597 REVOBUUYTAUVQK-GOSISDBHSA-N 391.516 1.852 0 50 GDAA NC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H](O)c3cccs3)CC2)cc1 952970854 PWCCNTHGVMRRFP-MRXNPFEDSA-N 380.491 1.981 0 50 GDAA Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)c(=O)c2ccccc21 1565514205 BTRFUYPJRHTEOY-WMZOPIPTSA-N 379.416 1.900 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(=O)(=O)[C@H]3CCOC3)C2)cc1 408386064 NNHYBGXVRAWKJO-CVEARBPZSA-N 380.466 1.082 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)CCO1 275602666 ICXHPSDGPHTGHE-AWEZNQCLSA-N 390.358 1.328 0 50 GDAA O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CCc2ccnc(O)c2C1 277164567 XUMFQUIILSUODH-LBPRGKRZSA-N 388.374 1.939 0 50 GDAA Cc1c(S(N)(=O)=O)sc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1Cl 279189974 LGPWKORSSONESL-WCBMZHEXSA-N 377.919 1.666 0 50 GDAA CC[C@H](O)CN1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 187712666 ZAKAKTASBSPPCF-INIZCTEOSA-N 376.482 1.221 0 50 GDAA O=C(CCc1nc2ccccc2[nH]1)NCC1CCN(CCn2cnnc2)CC1 1506397008 NYUHNENLSBGNFB-UHFFFAOYSA-N 381.484 1.615 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cnc(N(C)C)nc2)cc1OC 1529139344 PVFVBYUINSPQPB-RTBURBONSA-N 388.468 1.494 0 50 GDAA O=C1CO[C@H](C(=O)NCc2noc(-c3cccs3)n2)[C@@H](c2ccccc2)N1 1529173497 WXUXIXNDRYKKCZ-CVEARBPZSA-N 384.417 1.671 0 50 GDAA Cc1[nH]nc(CCC(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1C 1704302776 SQEYZHKDVJKWAX-WIYYLYMNSA-N 385.464 1.866 0 50 GDAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCN(c2nc[nH]n2)CC1 1772815003 BUUDHUQNQMZUBT-AWEZNQCLSA-N 395.492 1.777 0 50 GDAA CN(Cc1cnn(C)c1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 11817820 QAPCRNUEDOQWJW-IBGZPJMESA-N 378.423 1.684 0 50 GDAA COCCC(=O)N[C@H]1CC[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2C)C1 1857681320 IZRRIQDSAVPGEE-JKSUJKDBSA-N 383.452 1.651 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cnc(C)n3C)CC(=O)N2[C@H]1c1ccccc1 1857728434 BDESGEMGZPBXBL-QRFRQXIXSA-N 382.464 1.676 0 50 GDAA Cn1ncc(Cl)c1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328603461 GCEVLUDWAAMXOS-AWEZNQCLSA-N 392.891 1.304 0 50 GDAA CN1CC[C@@H](C(=O)N[C@@H](CC(=O)O)c2cccc(Br)c2)CC1=O 138025547 WJIXNTVBILEHET-YPMHNXCESA-N 383.242 1.950 0 50 GDAA CN1CCc2nc(O)c(CNC(=O)c3ccc4c(c3)CCS4(=O)=O)cc2C1 1875297030 ZWHISVFKFLYTGE-UHFFFAOYSA-N 387.461 1.035 0 50 GDAA O=C1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@@H]2COCCN12 1875299184 BXGSHCREYMJCOA-CYBMUJFWSA-N 382.342 1.798 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N=[S@]2(=O)CCC[C@]3(CCCN3)C2)c(C)o1 1875392998 CPNRWLIKILPQHQ-MYYSRTQBSA-N 389.499 1.020 0 50 GDAA COc1cc(C)cnc1C(=O)N[C@H](C)[C@H]1CCN(c2cc(C)nc(CO)n2)C1 1875333804 MDBIJVSQDYNKPN-CABCVRRESA-N 385.468 1.634 0 50 GDAA CCc1nc([C@@H]2CN(C(=O)N[C@H](C3CCC3)[C@H]3CCOC3)Cc3c[nH]nc32)n[nH]1 1875395873 OEOCDTCXVJAKJX-YSVLISHTSA-N 399.499 1.953 0 50 GDAA COC(=O)[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1cc(O)cc(C(F)(F)F)c1 1875310887 GDHKEKOAZGXQQE-PWSUYJOCSA-N 383.344 1.362 0 50 GDAA CC(=O)N1CC2(CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)[C@H]2COC[C@H]21 1775960930 FKXFJOUPVLDZOC-ZWKOTPCHSA-N 382.464 1.591 0 50 GDAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 3097395 ZGEXEVBQKDUMOJ-UHFFFAOYSA-N 388.401 1.927 0 50 GDAA CCn1nnc(C)c1CN1CC2(C[C@H](NC(=O)C[C@@H]3CCOC3)c3nccn32)C1 2332237983 SSYIKXQABXQDIQ-HOTGVXAUSA-N 399.499 1.002 0 50 GDAA CCn1ncc(S(=O)(=O)N2CCC[C@]23CCCN(CCOC)C3=O)c1C 2356146934 APCXMTFQTZOSGM-KRWDZBQOSA-N 384.502 1.004 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)ccc21 2356167711 ZFNLUUCLYKDPMB-CFVMTHIKSA-N 386.452 1.518 0 50 GDAA CCn1nc(NC(=O)c2cc(C(=O)Nc3cc(C)n(CC)n3)n(C)n2)cc1C 20616829 BMHHVTUTSHFZQQ-UHFFFAOYSA-N 384.444 1.974 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 4868134 QOQDWUCVIHMEHK-OAHLLOKOSA-N 382.482 1.345 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc21 4969040 ZHDVIOLMPIITDD-HNNXBMFYSA-N 379.526 1.996 0 50 GDAA COc1cccc(C2=NO[C@H](C(=O)N3CCC4(CC3)OCCO4)C2)c1OC 6738522 DQYAOORDCVJTRQ-INIZCTEOSA-N 376.409 1.562 0 50 GDAA Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 412328241 BIPAJVQFKMHDHA-MRXNPFEDSA-N 394.472 1.816 0 50 GDAA CCc1ccccc1N(CC(=O)N1CCC(C(=O)OC)CC1)S(C)(=O)=O 10541975 NZNSPZZFUBPFMW-UHFFFAOYSA-N 382.482 1.427 0 50 GDAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)n1 67614310 BGBUVEYIYMNGTF-UHFFFAOYSA-N 391.497 1.736 0 50 GDAA COc1cccc(CN(C)Cc2nncn2C)c1OCCN1CCOCC1 63857578 BRGCFHZMNGIQEN-UHFFFAOYSA-N 375.473 1.167 0 50 GDAA CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)C1 20110105 KEQHLCHOGIOENX-QGZVFWFLSA-N 398.573 1.629 0 50 GDAA COc1cc(C)ccc1S(=O)(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C 67758952 ATRSJYOOUMMHJT-KRWDZBQOSA-N 393.513 1.416 0 50 GDAA CCN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1=O 483289661 FJGVPMGMXFWEMU-CYBMUJFWSA-N 398.385 1.684 0 50 GDAA C[C@@H]1CN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCN1 155150186 JXSKJMZALZLCQK-GFCCVEGCSA-N 389.315 1.823 0 50 GDAA CCOC(=O)CCN(Cc1cccnc1)Cc1nnnn1CC1CCOCC1 365627545 OXZLDWTUDVBYKE-UHFFFAOYSA-N 388.472 1.450 0 50 GDAA Cn1c(=O)nc(O)c2cc(C(=O)N3CC[C@]4(CCc5ccccc5O4)C3)cnc21 366451525 LAPLGWQQVDBVNK-OAQYLSRUSA-N 392.415 1.644 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)c2)CC1 215591904 XDEYUEUBQUIUHA-QGZVFWFLSA-N 377.510 1.803 0 50 GDAA Cc1nc(N)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 220036934 ZLEFSXDPJOIIJI-CHWSQXEVSA-N 377.422 1.698 0 50 GDAA CCO[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@@H]1O 223585994 WJTYQCWTGWKXFR-IRXDYDNUSA-N 380.872 1.800 0 50 GDAA COc1cccc(N2CCN(C(=O)NC3(C(=O)O)CCOCC3)[C@H](C)C2=O)c1 426490269 VNUPCYPJPAHSSP-CYBMUJFWSA-N 391.424 1.076 0 50 GDAA Cc1ccccc1CN1CCN(C(=O)c2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 82097455 XXYGVEAECXJSAO-MOPGFXCFSA-N 385.489 1.514 0 50 GDAA Cc1ccn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nnc2n1 426445181 XARHQYSMHFTMLO-UHFFFAOYSA-N 380.408 1.119 0 50 GDAA O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@@H](n2cncn2)C1 289831790 AQXLNKVHILTVJG-QGZVFWFLSA-N 399.476 1.573 0 50 GDAA COc1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cc1Cn1cncn1 97514412 IHFOYITWQWTYMD-MRXNPFEDSA-N 378.498 1.592 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)Cc3cc(F)cc(F)c3)C[C@@H]2CO)CC1 91270336 JCKKXXCJJVGFCO-IAGOWNOFSA-N 381.467 1.212 0 50 GDAA O=C(NCCc1ccncc1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95376564 KDILJEFIVMDCDE-MRXNPFEDSA-N 375.450 1.121 0 50 GDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@@H]1CO 91915302 RKQOGNMTJZBZTP-WOJBJXKFSA-N 389.540 1.672 0 50 GDAA CN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCCCC3)CC2)n1C 96153111 VLKPJUXCKWYMSW-UHFFFAOYSA-N 377.533 1.916 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1=O 91651399 LRBCAUXPCLOGJC-CQSZACIVSA-N 397.397 1.745 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)CCC(=O)c3ccccc3)C[C@]2(C(=O)O)C1 96132669 OAFZEMYRSBKHPH-YWZLYKJASA-N 387.436 1.176 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C(=O)CSC 96160597 PXALRVVXBPAWCZ-CABCVRRESA-N 378.498 1.012 0 50 GDAA Cc1ccc(CN2CCC(CN(C)C(=O)c3ccnc(-n4cnnn4)c3)CC2)o1 95501083 MQHCEKUSPRTKAX-UHFFFAOYSA-N 395.467 1.943 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)c1c(C)cc(C)nc1O)[C@H](C(N)=O)C2 253623601 AQHCWPNCQLSXLO-AWEZNQCLSA-N 385.420 1.474 0 50 GDAA biogenic COC(=O)[C@@H]1N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 526056109 VWOBFJMDKYIOJN-VSZNYVQBSA-N 380.400 1.687 0 50 GDAA COc1ccc(F)cc1[C@H](NC(=O)Cc1cnc(O)nc1O)[C@H]1C[C@@H](O)C1 253534864 MFRDNZCKAIFQHP-RCAYSMOQSA-N 377.372 1.206 0 50 GDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1Sc2ccccc2NC1=O 299752570 UPSDGLFZCNEMJL-IUODEOHRSA-N 378.450 1.972 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)C(C)(C)C)C[C@@H]1N(C(=O)Cn1ccccc1=O)CC2 534575948 BJUGKVHEKLSCLO-VWKPWSFCSA-N 389.496 1.549 0 50 GDAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)NC[C@H]1CCCCO1 534587812 SEAGVZUNGXUDBT-QGZVFWFLSA-N 375.473 1.394 0 50 GDAA O=C1CO[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H](c2ccccc2)N1 1940196506 PAACMLOIZJRYFS-UXHICEINSA-N 383.423 1.731 0 50 GDAA CC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cs1 299800897 WDGFUYXJYSNWDD-HZPDHXFCSA-N 377.466 1.921 0 50 GDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 584892679 YERLVKIYLUIDBM-CYBMUJFWSA-N 383.518 1.102 0 50 GDAA O=C(O)COc1ccc(Cl)cc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076109067 SHZOZWLLUFIRRF-ZBFHGGJFSA-N 378.816 1.741 0 50 GDAA COc1cc(OC)c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC 169918636 QYLFJYZUYYFILY-LLVKDONJSA-N 394.449 1.851 0 50 GDAA CN(C)CCN1Cc2cccc(NC(=O)CNC(=O)COc3ccccc3)c2C1 170686233 HWRAECZJUPIITG-UHFFFAOYSA-N 396.491 1.698 0 50 GDAA CC[C@]1(CO)CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 187518271 DYFCCEFNUAQIFQ-KRWDZBQOSA-N 379.486 1.050 0 50 GDAA Cc1csc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1I 191724988 GVEYCLCJFKQAED-QMMMGPOBSA-N 399.275 1.920 0 50 GDAA CCC[C@H]1COC[C@H]2CN(C(=O)CCn3nc(C)c(C(C)=O)c3C)CCN12 1529111932 BDTNIIJGNLXEAC-ZWKOTPCHSA-N 376.501 1.804 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(Cl)s1)C2 220235084 LHPSFULKKNAHGD-MNOVXSKESA-N 377.919 1.744 0 50 GDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1c[nH]nc1C1CCCCC1)C2 1704306582 PBYHYERCANOEAW-ZFWWWQNUSA-N 376.457 1.315 0 50 GDAA CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N(CCO)Cc1cncn1C 1704326200 XNKCQJQBZGVBPA-HNNXBMFYSA-N 378.498 1.647 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)n(C)n2)CC1 12433017 XYXHMPQTBWEFCT-GOSISDBHSA-N 389.544 1.961 0 50 GDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)CN2C1=O 14748557 ULPKLPSSWHNBLJ-BPNCWPANSA-N 384.263 1.991 0 50 GDAA CCN1CCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)CC1 19607176 XOCLFRNDBGNORU-UHFFFAOYSA-N 388.468 1.774 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3cc4n(n3)CCN(C)C4=O)[C@@H](C)C2=O)cc1 1857669888 ASVOESRPWMXEKU-HNNXBMFYSA-N 395.463 1.150 0 50 GDAA O=C(CN1CCOc2ccccc2C1)N1CCC([C@@H](O)CN2CCCC2)CC1 1857729345 XBEYDJVSQFDPLN-FQEVSTJZSA-N 387.524 1.576 0 50 GDAA C[C@H]1CN2C[C@@H](NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)C[C@H]2CO1 1857740458 OOLZJDGIVXQIGB-AVGNSLFASA-N 387.461 1.545 0 50 GDAA O[C@@H]1CN(Cc2cnc(=NCc3ccccc3)[nH]c2)C[C@H]1Cc1cnccn1 1875249650 MZJRIFDUDSQZHB-UYAOXDASSA-N 376.464 1.336 0 50 GDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[C@H]1O 1704328380 NIWWSHVYAMWDDG-ZBFHGGJFSA-N 375.393 1.591 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H]2Cc3n[nH]cc3[C@H](C(F)(F)F)C2)cn1 1875298028 MIODKDFETBGVDX-LDYMZIIASA-N 376.360 1.753 0 50 GDAA CN(C[C@H]1CCCN1C(=O)Cc1nc[nH]n1)C(=O)c1c[nH]nc1C1CCCCC1 1875303406 UMRIMFPDHJBGQS-OAHLLOKOSA-N 399.499 1.881 0 50 GDAA Cc1cnn(C)c1[C@@H](C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397808 OSFQIDJGPHGNEZ-HZPDHXFCSA-N 385.516 1.767 0 50 GDAA O=C(NC1CC2(C1)CN(C(=O)Cc1ccnnc1O)C2)c1ccnc(C2CC2)c1 1875329994 NSHAJQHQLWMGTF-UHFFFAOYSA-N 393.447 1.418 0 50 GDAA CCc1cc(C(=O)N2CC[C@@H](N=c3nc(O)c4cnn(C)c4[nH]3)C[C@H]2C)no1 1875303838 PQBMGZYWCDSJTQ-GHMZBOCLSA-N 385.428 1.146 0 50 GDAA COCC1(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC(F)(F)C1 1875403748 AIFXXMKKHQWZMA-CQSZACIVSA-N 397.470 1.778 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cncc(N3CCOCC3)c2)C1 1772506190 VVSBTNHBLWTLJO-OAHLLOKOSA-N 398.467 1.620 0 50 GDAA CC1(C)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2cnccc2NC1=O 1775961475 CWIBZFQXKLSUKP-UHFFFAOYSA-N 385.424 1.258 0 50 GDAA O=C(c1n[nH]c2ccc(C(F)(F)F)cc12)N1C[C@@]23CCC[C@@]2(C1)C(=O)NC3=O 2325805135 RCFAAIJIISFIPW-IAGOWNOFSA-N 392.337 1.851 0 50 GDAA CC1(C)CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H](C(=O)O)O1 2325812967 YCDAAOIJTYJBKR-JTQLQIEISA-N 384.230 1.821 0 50 GDAA Cc1nc(CN2CC3(C[C@@H](NC(=O)c4cncc(F)c4)c4nccn43)C2)co1 2332237837 OCCQCUGNLIGHAE-MRXNPFEDSA-N 382.399 1.800 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C[C@@H]3CNCCOC3)CC1)OCC2 2356161908 OZNFQVNNPQGGMP-INIZCTEOSA-N 376.497 1.804 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)COCc4nc5ccccc5[nH]4)C[C@@H]13)O2 2356164474 UNPVWQKRSTXVNJ-DQTJMLIDSA-N 384.480 1.647 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 245729028 SPJHKNWWLXLHTB-GUDVDZBRSA-N 381.411 1.679 0 50 GDAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 178599311 YRUXAPPTKMGQKH-LJQANCHMSA-N 384.480 1.843 0 50 GDAA C[C@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1 23129398 SWFFTPOWRPFQCI-DYVFJYSZSA-N 386.427 1.423 0 50 GDAA O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 247795833 RCRPUMKCTQRJKC-JSGCOSHPSA-N 379.507 1.737 0 50 GDAA CC1=C(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)[C@H](c2ccoc2)NC(=O)N1 67975686 OEXPVFMSRZIVMO-INIZCTEOSA-N 393.407 1.447 0 50 GDAA CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C)C)nc2)C1 279460970 LWMURMWUHIYELW-CQSZACIVSA-N 378.502 1.888 0 50 GDAA Cc1nc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1C 328643247 YRIYHJJVGYYLPV-JTQLQIEISA-N 377.392 1.485 0 50 GDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)CC1 328645162 SAXGVPCXNIQDDF-CQSZACIVSA-N 376.409 1.386 0 50 GDAA COc1nc2c(cc1CN1CCC[C@@](O)(CN(C)C)C1)C(=O)N(C(C)C)C2 72412414 XCPAACNAFCBHHW-HXUWFJFHSA-N 376.501 1.343 0 50 GDAA CN(Cc1cccc(-n2cccn2)c1)C(=O)Cn1nnnc1CN1CCCC1 12581738 SHESOIJOCALGGF-UHFFFAOYSA-N 380.456 1.113 0 50 GDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1cn(C(C)(C)C)nn1 329968931 WYVXZEJKGRWIKV-GJZGRUSLSA-N 377.468 1.451 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c[nH]1 447171938 MTVHMSZGJQJQHK-JTQLQIEISA-N 385.392 1.637 0 50 GDAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc3c(nc2O)CCCCC3)cn1 282318072 MDKMUUVPMQVUJQ-XGCWNURASA-N 388.493 1.735 0 50 GDAA Cc1ccn(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 241810038 SCPNUWLXSSYWKJ-HNNXBMFYSA-N 377.466 1.731 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)c1ccccc1NCc1cccnc1)CC2 176209288 KDHCFHZQPYZORP-UHFFFAOYSA-N 375.432 1.986 0 50 GDAA CN(Cc1ccc2c(c1)OCO2)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 223505171 LURHZLOFOWKNSZ-IBGZPJMESA-N 376.409 1.668 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cnn3cc(C)cnc23)cc1 97288736 GPKKBCYQGQNKLK-UHFFFAOYSA-N 387.465 1.445 0 50 GDAA CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(Nc3ccc(OC)cc3)n2)C1 95399211 ACRDDHHXWMDOHG-ZDUSSCGKSA-N 386.456 1.981 0 50 GDAA Cc1cccnc1CNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 95384761 BLNVEFWXXJYFCI-HNNXBMFYSA-N 375.450 1.387 0 50 GDAA O=C(N[C@H](CCn1cncn1)c1ccccc1)N1CCN(c2nc[nH]n2)CC1 426361316 YEZVBYZZSDDYEI-MRXNPFEDSA-N 381.444 1.059 0 50 GDAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCC(CN3CCOCC3)CC2)c1 95355160 VAQCJACPUJZNMA-IBGZPJMESA-N 378.469 1.874 0 50 GDAA CN1CCN(C[C@@H]2CN(Cc3ccccc3OC(F)(F)F)C[C@@H]2CO)CC1 95378508 NBCASMYZADVVOK-IAGOWNOFSA-N 387.446 1.873 0 50 GDAA O[C@H](COc1cccc(CN2CC(c3ccccn3)C2)c1)CN1CCOCC1 95497874 RUQZFCCIFMDFKY-FQEVSTJZSA-N 383.492 1.753 0 50 GDAA C[C@@H]1Cc2ccccc2N1C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O 95512774 MMFHNRKSVDMZHY-MRXNPFEDSA-N 381.480 1.363 0 50 GDAA COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1 95370213 CMYSAOSLKHKVJJ-INIZCTEOSA-N 384.436 1.641 0 50 GDAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cc(=O)[nH]c2ccccc12 92097743 OZMNUWMHFLKCKY-LJQANCHMSA-N 378.432 1.726 0 50 GDAA CN(CCOc1cccc(Cl)c1)C(=O)CN1CC2(CCNCC2)OC1=O 96139784 LNXQOPCIABUMHL-UHFFFAOYSA-N 381.860 1.752 0 50 GDAA Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cs1 95384397 XPNFFTJITMECKE-GXTWGEPZSA-N 386.481 1.211 0 50 GDAA O=C1C[C@H](NC(=O)Cn2nnnc2CN2CCCCCC2)c2ccccc2N1 95522273 BSXQUKLWSNLMCT-INIZCTEOSA-N 383.456 1.249 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)C5CC5)CC4)c3CO2)cc1 263616256 HTWRVVZREIRQOO-FQEVSTJZSA-N 397.479 1.612 0 50 GDAA O=C(NCCN1CCNC1=O)c1cccc(-c2cc(N3CCCC3)cnn2)c1 299773235 BCOINPPBBKGVBN-UHFFFAOYSA-N 380.452 1.499 0 50 GDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2c(c1)CCO2 670453942 AJTYJSKVYBXGCM-HWDGFJGFSA-N 389.499 1.919 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC[C@H](CNC(=O)Cn2ncc3ccccc32)C1 952967987 DRTQDYLEWPWIGE-CQSZACIVSA-N 381.440 1.131 0 50 GDAA CN(CCC(=O)NCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 952969455 JKRFDKSJIBIFFG-ZDUSSCGKSA-N 385.555 1.190 0 50 GDAA Nc1ccc(C(=O)N2CCC(CNC(=O)c3ccn(C(F)F)n3)CC2)cn1 952970668 ARNMLRAULWOXNN-UHFFFAOYSA-N 378.383 1.538 0 50 GDAA Cn1nc2c(c1C(=O)N[C@H]1CCN(Cc3cscn3)C[C@@H]1O)CCCC2 1565505699 JIFLNNDNLINOGW-HOTGVXAUSA-N 375.498 1.121 0 50 GDAA CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)CC2CCCCC2)c2ccccn12 746453949 WBBAHQAZPQIGMD-UHFFFAOYSA-N 399.494 1.378 0 50 GDAA CN1CCN(Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCC1=O 1506421825 WCSFRKIHJNUUDM-QGZVFWFLSA-N 375.469 1.025 0 50 GDAA COCC1(C(=O)N2C[C@@H]3CN(C(=O)CCC(F)(F)F)C[C@@]3(CO)C2)CCC1 1772705715 PEKXQSRFCKNHLB-GUYCJALGSA-N 392.418 1.425 0 50 GDAA COCCCn1cnnc1CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12707027 YPMGKDCJRUMOBY-KRWDZBQOSA-N 391.516 1.750 0 50 GDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCCC3)c2)CC1 12713514 BPPQHMPAZGNWPQ-IBGZPJMESA-N 376.497 1.907 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NC1Cc2ccccc2C1 15078253 IGQIITUMXPCPBZ-HXUWFJFHSA-N 399.441 1.939 0 50 GDAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2 18249804 REUAVQCOHSRIGS-SFHVURJKSA-N 393.443 1.912 0 50 GDAA Cc1ncc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)c(O)n1 1857672209 CAYMPVBTRLVDRG-HXUWFJFHSA-N 381.436 1.984 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857698180 GXGMZUDVQGNREP-GOSISDBHSA-N 389.481 1.330 0 50 GDAA O=C(NCC[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccncc1F 1857709662 KVJAYWWXRVJBOI-LBPRGKRZSA-N 387.415 1.094 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857730521 VNIXKUNEBYTVIK-NRFANRHFSA-N 391.431 1.619 0 50 GDAA CN1CC[C@H](N2CCC(NC(=O)c3n[nH]c4ccc(Cl)cc34)CC2)C1=O 333384299 BWKUBRQSOLXMBD-HNNXBMFYSA-N 375.860 1.641 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1cnc(-c2ncccn2)s1)N1CCOCC1 263854479 ORHZUAIANRMBPZ-CYBMUJFWSA-N 387.465 1.454 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C1)CC2 1704312555 FFIPLRWPHQWVEV-LLGFUMIMSA-N 395.511 1.939 0 50 GDAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@@]1(CO)COCCN1 913183417 QNZMSJZKNGIZDZ-QGZVFWFLSA-N 399.369 1.750 0 50 GDAA O=C(Nc1ccc(CC2CCN(C(=O)[C@H]3CCOC3)CC2)cn1)[C@H]1CCOC1 952852432 UPZODOAOGJWPKQ-ROUUACIJSA-N 387.480 1.874 0 50 GDAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cc(O)n3nccc3n2)cc1 1875302505 SWHQJUBVWVRYER-INIZCTEOSA-N 379.420 1.551 0 50 GDAA C[C@@H](CF)C(=O)N1C[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@@H]2C1 1875330072 LMEMYNNOTOBBMI-FPMFFAJLSA-N 396.488 1.258 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)NCc1cc(CNC(=O)[C@@H](C)O)ccn1 2356156316 VVPLSHQDYVTSLT-CYBMUJFWSA-N 394.431 1.972 0 50 GDAA O=CN[C@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl 3200448 LVUIFVWYJDJTSK-LLVKDONJSA-N 379.635 1.278 0 50 GDAA biogenic COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCC1 6539766 UNECMJLCUVZCPK-UHFFFAOYSA-N 382.482 1.779 0 50 GDAA CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 67601943 HZKLMIISUHFHOB-UHFFFAOYSA-N 385.917 1.949 0 50 GDAA NCCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71760218 BTUCUONFCRETNP-SFHVURJKSA-N 387.528 1.140 0 50 GDAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 67872156 RJKODZSISJTVMV-YWZLYKJASA-N 389.459 1.893 0 50 GDAA CCn1cc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1 67740950 TZWVFTYJYOMGRU-GOSISDBHSA-N 377.533 1.342 0 50 GDAA COC(=O)CC1CCN(C(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)CC1 71376133 PCJZWECGAILZCN-UHFFFAOYSA-N 399.447 1.721 0 50 GDAA CCCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 71769342 HOMMFAHLBLWUGE-HLLBOEOZSA-N 393.509 1.134 0 50 GDAA CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 363294972 UZIGZQFQBWIJCE-KRWDZBQOSA-N 395.525 1.486 0 50 GDAA CCCCN1CCN([C@H](C(=O)N2CCSCC2)c2ccccc2)C(=O)C1=O 77343089 YEEFZEUBOIBOLZ-KRWDZBQOSA-N 389.521 1.774 0 50 GDAA CSc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)NCCn2cnnc2)cc1 72131932 ZVUKZXHIFIXNLX-HNNXBMFYSA-N 389.481 1.048 0 50 GDAA Cc1cc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 72423662 QJZZXJXLQRXYGN-ZWKOTPCHSA-N 382.501 1.990 0 50 GDAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 369384196 QRTZJSOJANXLKJ-LHHMISFZSA-N 388.530 1.376 0 50 GDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Cc3cccc(O)c3)CC2)C1 71614333 RFARLLLJMOCVDH-KRWDZBQOSA-N 385.508 1.916 0 50 GDAA N[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 238058594 UMBVMZPGSMEADR-TVQRCGJNSA-N 385.251 1.758 0 50 GDAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4snnc4C)CC3)nn2)n1 48985129 HRSKVODISKQMJY-UHFFFAOYSA-N 384.469 1.401 0 50 GDAA O=C(NCCc1ccc(Cl)cc1Cl)c1cc2n(n1)C[C@H](O)CNC2=O 426746099 MQLVBBSPVFLSJG-LLVKDONJSA-N 383.235 1.267 0 50 GDAA CCc1cccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c1 426643089 YGBLGDUGZBBKEJ-OAHLLOKOSA-N 386.452 1.091 0 50 GDAA O=C1CCCCN1CCc1nc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1 96133049 PTCMMWXGJVSBGY-CYBMUJFWSA-N 378.454 1.453 0 50 GDAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cn2cccnc2=O)C1 95517781 WXHMTOOKVMRIIR-IBGZPJMESA-N 382.508 1.965 0 50 GDAA NCCCOC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 162197889 YEFDXMILDCXREW-CYBMUJFWSA-N 381.423 1.674 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(Cc1ccc(S(C)(=O)=O)cc1)CCN2C 91461970 LNVVACRRSWCHKB-IBGZPJMESA-N 379.526 1.219 0 50 GDAA COc1cc2c(cc1-c1cn(C[C@@H]3CN(S(C)(=O)=O)CCO3)nn1)CCC2 91486813 PMWODTMANTUNIL-OAHLLOKOSA-N 392.481 1.103 0 50 GDAA CNc1nc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)cs1 91445134 VFYQVNBPQJZSOM-SFHVURJKSA-N 378.498 1.819 0 50 GDAA COCCn1c(CN2CCN(c3ccccc3C)CC2)nnc1[C@H]1C[C@H](N)C1 244626534 FNNGAHRLUVQVJI-IYARVYRRSA-N 384.528 1.760 0 50 GDAA CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C(N)=O)c2ccccc2)cc1 181099952 ZZMHWKRIAOCNDJ-HXUWFJFHSA-N 388.489 1.928 0 50 GDAA COc1cccc(-n2cc(C(=O)N3CCC([C@@H]4NC(=O)C4(C)C)CC3)nn2)c1 295726552 ZVEVWDXOWKMBGC-KRWDZBQOSA-N 383.452 1.653 0 50 GDAA COC(=O)CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1cn[nH]c1 1940195765 KZXVXXTZSFPRRX-HOTGVXAUSA-N 376.457 1.278 0 50 GDAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N1CCCN(c2ncccn2)CC1 584889495 MVTQFPMZAGCJOM-SFHVURJKSA-N 388.516 1.342 0 50 GDAA Cn1ccnc1[C@@](O)(CCNC(=O)Cc1c[nH]c2cnccc12)C(F)(F)F 1343873746 ZRKDLECHBJYYRG-INIZCTEOSA-N 381.358 1.795 0 50 GDAA CCn1cc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)c(=O)c2cc(F)c(F)c(F)c21 1565528612 VNZVUGKBKVJOID-XIKOKIGWSA-N 384.354 1.397 0 50 GDAA O=C(N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O)c1nnc2n1CCCCC2 1565515108 KZWNLBKNRKJHJN-HOTGVXAUSA-N 383.452 1.010 0 50 GDAA C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)N1CCOCC1 170622974 AJHGUWRAWKREIV-SNVBAGLBSA-N 398.341 1.733 0 50 GDAA O=C(COC(=O)c1nnc(O)c2ccccc12)Nc1ccc2nc(O)[nH]c2c1 745883384 AVTNGPNXNSQBHS-UHFFFAOYSA-N 379.332 1.713 0 50 GDAA O=C(Nc1nccs1)C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210358241 FRHOXGXKQCDWDQ-NEPJUHHUSA-N 375.406 1.187 0 50 GDAA CN(C)Cc1cccc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)c1 1529103379 AFUZPBBDZRHAQQ-UXHICEINSA-N 382.464 1.358 0 50 GDAA C[C@H]1C(=O)N2CCC[C@H]2CN1S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 1772704233 PVMDGQQDEQCPDQ-RYUDHWBXSA-N 385.445 1.789 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1)c1ccc(F)cc1 11838996 ZPBGRFCUCUEGEE-OAHLLOKOSA-N 375.444 1.807 0 50 GDAA COc1cc(C(=O)N2CCN(C)[C@@H](C)C2)ccc1OC1CCN(C(C)=O)CC1 14978020 LSEBCDUEDDCOJO-HNNXBMFYSA-N 389.496 1.861 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCCC1 16625119 MBBFKOXVEQREEO-WMLDXEAASA-N 387.523 1.475 0 50 GDAA COCCn1c(CN(C)CCN2CCCCC2)cnc1S(=O)(=O)CC1CC1 19536388 MQABAUMTHGVWEG-UHFFFAOYSA-N 398.573 1.631 0 50 GDAA Cc1nc2sccc2c(=O)n1CC(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 19743021 WUALAHIPILWPLN-CYBMUJFWSA-N 399.476 1.621 0 50 GDAA COCC(=O)N1CCC2(CCC[C@H]2NC(=O)c2ccc3c(c2)OCCO3)CC1 1857674894 CACGHHIKYWJCHG-GOSISDBHSA-N 388.464 1.995 0 50 GDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C3CCN(c4ccc(F)c(F)c4)CC3)C[C@@H]12 1857687690 AARJSQQPUZGBGY-SNRMKQJTSA-N 399.507 1.593 0 50 GDAA Cc1ncc(CN2CCC3(CC2)CC(=O)N(CC[C@@H]2CCOC2)CCO3)cn1 1857690757 RJQCLVHICDCEKT-GOSISDBHSA-N 388.512 1.795 0 50 GDAA CC(C)[C@@H]1CN2C[C@@H](NS(=O)(=O)c3cccc4c3OCCO4)C[C@H]2CO1 1857720654 DJZYMBKKRMCJTP-DZKIICNBSA-N 382.482 1.234 0 50 GDAA Cn1nc2c(c1C(=O)N1CCc3ncc(CNC(=O)C4CC4)cc3C1)CCCC2 1875246242 CBUARJYEJZMHHV-UHFFFAOYSA-N 393.491 1.919 0 50 GDAA C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCN1 333901952 ZZQKMWGFLMIBNE-GIVPXCGWSA-N 385.556 1.729 0 50 GDAA O=C(CN1CCC[C@@H]1C(=O)O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 238094425 XTKLPLPDMDEDME-CYBMUJFWSA-N 383.330 1.774 0 50 GDAA O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CCO[C@@H](C2(O)CC2)C1 1875298235 SLAXBNSYWLYSNB-CYBMUJFWSA-N 385.342 1.670 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3cc[nH]c4ccncc34)C2)c1C 1875397838 PYEHJRPGYWRQTH-OAHLLOKOSA-N 391.479 1.851 0 50 GDAA CCCC[C@@H](CNC(=O)CN1CSCC1=O)NC(=O)c1cc(C)c(C)o1 1875347012 HPALNBAOPRCWLY-AWEZNQCLSA-N 381.498 1.834 0 50 GDAA COCCc1nsc(N2CCC[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)n1 1875312247 JJAQZKUSGMTLSK-DZGCQCFKSA-N 375.498 1.807 0 50 GDAA C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1)c1ccccc1 1775990433 XIYDPNQZXIHFND-NVXWUHKLSA-N 385.464 1.389 0 50 GDAA Cc1cc(CC(=O)N[C@H]2CC3(CN(C(=O)C4(C)CC=CC4)C3)n3ccnc32)no1 2332237667 GUVPQXNWCSVFFT-INIZCTEOSA-N 395.463 1.877 0 50 GDAA Cc1nccc(C(=O)N2CC3(C[C@H](NC(=O)C[C@@H]4C=CCC4)c4nccn43)C2)n1 2332238124 ZVDUPAFRUPRJTO-WBVHZDCISA-N 392.463 1.750 0 50 GDAA CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 1108693 CMICVHVOUWOATN-UHFFFAOYSA-N 377.466 1.854 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 1146924 LRQGUYXXTUGBTF-UHFFFAOYSA-N 392.433 1.741 0 50 GDAA Cc1nnc2n1C[C@H](CNC(=O)c1cc3c(s1)CCOC31CCNCC1)C2 2356146820 WVRYZWKFUWYGCT-ZDUSSCGKSA-N 387.509 1.402 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCc4nc(C5CC5)nn4CC3)cn12 2356163766 QEYDPBJRSZZJDC-QGZVFWFLSA-N 395.467 1.586 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC[C@]2(CNC(=O)O2)C1 2356164638 AXEKLVKKSNCSPJ-NRFANRHFSA-N 397.431 1.679 0 50 GDAA COc1ccccc1CNC(=O)CN1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 2356166212 XISIBUINDIEOQV-FXAWDEMLSA-N 376.453 1.249 0 50 GDAA O=C(NC1CCCC1)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)OCCO2 222022912 VXGAVWPNVFNYQE-BFUOFWGJSA-N 392.477 1.670 0 50 GDAA CC1CCC(O)(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 225662627 ZUHHTVUAEXCWLV-UHFFFAOYSA-N 398.500 1.990 0 50 GDAA Cc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)ccc1N1CCCC1=O 25907722 WVMIFAHJCLCGML-AWEZNQCLSA-N 379.482 1.732 0 50 GDAA NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)c1ccc2ccccc2c1 118602553 WWOWWMVKAITWSR-IBGZPJMESA-N 375.428 1.782 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNCc3ccon3)C2=O)c1OC 67974188 ZXEBMCKJWWRNTN-LJQANCHMSA-N 375.425 1.335 0 50 GDAA O=C(CCc1cc(O)no1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67605387 CXYYVPXLGDOOTN-UHFFFAOYSA-N 383.408 1.593 0 50 GDAA CN(c1ncccc1C(=O)N1CCO[C@]2(CNCCOC2)C1)C1CCCCC1 72127278 JQWYSLJUDAXSAJ-OAQYLSRUSA-N 388.512 1.682 0 50 GDAA O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC(O)(C(=O)O)CC2)C1 262476952 KAOYKFDGPFVSPV-AWEZNQCLSA-N 375.425 1.369 0 50 GDAA CC(C)N1CCC(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 368346744 FHJKUMKLFMJTBC-FXAWDEMLSA-N 387.528 1.851 0 50 GDAA O=C(NCCF)c1cccc(S(=O)(=O)N2CCC(c3ccn[nH]3)CC2)c1 215074703 ILFZYKXONHGJFR-UHFFFAOYSA-N 380.445 1.677 0 50 GDAA Cc1ccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c(-c2nc(C3CC3)no2)c1 173867818 MWWLAGADUVPNMT-UHFFFAOYSA-N 395.423 1.854 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N(C)Cc2nnc[nH]2)cc1 284053355 LNSDMFYBHUOEJI-UHFFFAOYSA-N 380.474 1.177 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N1CCC[C@H]1c1nc(C2CC2)no1 220387976 ZEDPVKVYXMXHEJ-HNNXBMFYSA-N 381.396 1.665 0 50 GDAA CC(=O)N1CC2(CCN(Cc3ccccc3OCCO)CC2)C[C@H]1C(=O)O 82109416 VDIOHUYZWUYIOK-KRWDZBQOSA-N 376.453 1.345 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 95379154 CFIMERNJMTVQPU-JKSUJKDBSA-N 381.498 1.185 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1 426580751 LAJAGEWULFDCLQ-KRWDZBQOSA-N 379.420 1.990 0 50 GDAA COc1ccc(N2C[C@H](NC(=O)c3cc(C(C)C)n4ncnc4n3)CC2=O)cc1 91770727 QPOHTKNAFAUYMS-CYBMUJFWSA-N 394.435 1.792 0 50 GDAA CCN1CC[C@]2(CCC1=O)CN(C(=O)CCc1csc(N)n1)CCN2C 95377344 YGHSHUFVCLSOJL-GOSISDBHSA-N 379.530 1.203 0 50 GDAA CN1C[C@@H](NC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CCC1=O 91452427 VDEBMGMTCMMNMH-BPQCLDNESA-N 384.480 1.588 0 50 GDAA O=C(Nc1cccc(Cn2cncn2)c1)N[C@@H]1CCCN(c2cnccn2)C1 95527544 QTGQLLYEISMRBN-QGZVFWFLSA-N 378.440 1.907 0 50 GDAA CC(C)CN1CC2(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)CC1=O 91270008 WRLWEZHCOOEMJU-KRWDZBQOSA-N 387.528 1.913 0 50 GDAA COCCN1CC[C@@]2(CCC1=O)CN(C(=O)NC1CCCCC1)CCN2C 91526867 LEOBTFNREMCSTF-FQEVSTJZSA-N 380.533 1.674 0 50 GDAA COCCn1cncc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 244831562 UGBTXTUGNLZPRT-UHFFFAOYSA-N 376.408 1.722 0 50 GDAA COc1ccc([C@H](NC(=O)c2cccc(-n3cnnc3)c2)[C@H]2C[C@H](O)C2)cn1 244898938 ZEGLGYJXZNPASQ-IEZWGBDMSA-N 379.420 1.913 0 50 GDAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCC(F)(F)F)nn1 182036575 FFPKFQHBJMJTIP-GFCCVEGCSA-N 388.390 1.648 0 50 GDAA CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)nc1 297075658 ZGNUHFWWMPVAHG-JTQLQIEISA-N 396.391 1.563 0 50 GDAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cnc2nc(O)nc(O)c2c1 298782041 XYMXXHBMEXSVEG-HNNXBMFYSA-N 379.420 1.830 0 50 GDAA COCCN1C(=O)C[C@](CC(=O)N(C)CC(C)C)(c2ccccc2OC)C1=O 299770381 SRRZFVSZXWHRFD-OAQYLSRUSA-N 390.480 1.843 0 50 GDAA CNC(=O)CN1CCOC2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1 952973654 HKXNYZSADFBJCR-UHFFFAOYSA-N 383.496 1.285 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCO2)o1 275329121 QFBKFQLVWYTEJK-LBPRGKRZSA-N 381.410 1.165 0 50 GDAA CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](C)c2ncnn2C)c1 276607592 KZDRTKQIPALRGU-VXGBXAGGSA-N 380.474 1.775 0 50 GDAA CC(=O)N1CCc2cnc(N3CCNCC3)nc2-c2cn(-c3ccccc3)nc21 169676092 APSRYHFYKJVQBX-UHFFFAOYSA-N 389.463 1.648 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3CCS(=O)(=O)CC3)c(C)s2)n[nH]1 1506425699 MSWIMGQAFQKZCR-UHFFFAOYSA-N 375.497 1.174 0 50 GDAA Cc1cc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc(-c2ccccc2O)n1 1704316327 YDAMSFQFMQWEPI-DZGCQCFKSA-N 392.481 1.476 0 50 GDAA Cc1ccc2c(c1)cc(C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C)n2C 1704299560 QUIGVQWKGSMGHZ-LSDHHAIUSA-N 379.482 1.123 0 50 GDAA COCCS(=O)(=O)c1ncc(CN2CCC[C@H]2CO)n1Cc1ccccc1 15073940 BHAHOKQZAQYHJC-KRWDZBQOSA-N 393.509 1.308 0 50 GDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 169497532 VIJOFSNJFFTTLZ-SUMWQHHRSA-N 380.400 1.572 0 50 GDAA CN1CC[C@]2(C(=O)NCCc3ccncc3)CCCN(Cc3cnn(C)c3)[C@H]2C1 1857678463 ZBDFUEHITCWDCU-RBBKRZOGSA-N 396.539 1.460 0 50 GDAA Cc1c(-n2ccnc2-c2cnc(N3CCOCC3)nc2)c(N2CCCC2)nn1C 1857686784 HNPYPXZSQFWWLL-UHFFFAOYSA-N 394.483 1.808 0 50 GDAA N=c1ccnc(N2CCO[C@]3(CCN(Cc4ccc5c(c4)OCCO5)C3)C2)[nH]1 1857688690 WTOCVIJCAPHPML-FQEVSTJZSA-N 383.452 1.142 0 50 GDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857701115 MNGDLKBXXMXOMW-XHSDSOJGSA-N 388.493 1.184 0 50 GDAA O=C1NCC2(CN(C(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)C2)N1 1857710285 PAQDMLLANFLJSG-LLVKDONJSA-N 389.843 1.591 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)o1 1857711473 BQPMOXXWPXZKCO-FQEVSTJZSA-N 384.436 1.630 0 50 GDAA N=c1nc(CNC(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)[nH][nH]1 1857712513 CCJQHRHTZRTQBS-SNVBAGLBSA-N 389.847 1.935 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857738181 VTXAXUIKIBZGKZ-IXDOHACOSA-N 376.482 1.519 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2c[nH]c3ccc(OC)cc3c2=O)C[C@@H]1O 1704299410 PJMCEWZEVVFJJW-JXFKEZNVSA-N 388.420 1.615 0 50 GDAA Cc1ncc(CO)c(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1O 1704304421 DYXNZMUKTWWANI-GHTZIAJQSA-N 386.448 1.468 0 50 GDAA COc1cccc(CCNC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)c1OC 929436032 PEPJGAXJHMMQNF-JUJQQSPASA-N 376.453 1.436 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cn1cnnc1O 952887869 WLOGOOJBMHQEMJ-INIZCTEOSA-N 382.424 1.386 0 50 GDAA CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 1875341941 PTOUPHCCGACNEH-VIQHNZTISA-N 378.517 1.390 0 50 GDAA O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC(=O)N(Cc2c(F)cccc2F)C1 1875310716 ZPLWCGBFTHJUCI-FZKQIMNGSA-N 399.397 1.993 0 50 GDAA CN(CC(=O)N1CCO[C@H](CNC(=O)[C@@H](O)C2CCCC2)C1)c1ccccc1 1875344438 KTHKIJAGNJXIMJ-QUCCMNQESA-N 389.496 1.018 0 50 GDAA Cn1nnc2c1C[C@@H](c1nc(-c3ccc(Cn4cnnc4)c(F)c3)no1)CC2 888102450 BVABPUAMDBHNEP-LBPRGKRZSA-N 380.387 1.917 0 50 GDAA CN1CCCC[C@H](CNC(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)C1 897557758 AGAMMAAQSJNOSQ-OAHLLOKOSA-N 391.516 1.978 0 50 GDAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2cc3ncccc3[nH]2)C1 2325779472 HIBAWMHAASVSBB-GOSISDBHSA-N 391.475 1.912 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2cncc(F)c2)C1 2325810487 NCZIODNXECUVDV-BZNIZROVSA-N 376.413 1.267 0 50 GDAA O=C(N=c1ccn(Cc2ccccc2)[nH]1)C(=O)Nc1cccc2c1CNCC2 2325857082 OOIISJVHSHRNPP-UHFFFAOYSA-N 375.432 1.576 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1=O 2356163621 LASOLTLVTOYDDA-HXUWFJFHSA-N 383.452 1.511 0 50 GDAA COc1ccc(C(=O)N2CCc3nc(C4CCOCC4)nn3CC2)cc1OC 2356164355 PVVMJFVMZCPYNL-UHFFFAOYSA-N 386.452 1.888 0 50 GDAA Cc1cccc(CNC(=O)[C@H]2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)c1C 2356168074 OJCUUJLGHBMQFZ-CGTJXYLNSA-N 380.510 1.749 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1 4076542 FPUPXAQLZGFPBZ-UHFFFAOYSA-N 384.498 1.424 0 50 GDAA biogenic Cc1cncc2cccc(S(=O)(=O)N3CCCN(C(=O)CN)C[C@@H]3C)c12 16052817 CMKMGFAUKPAOMG-AWEZNQCLSA-N 376.482 1.113 0 50 GDAA in-vitro COc1ccc(F)c(CN2CCC[C@@](O)(CNCC3(CO)CCC3)C2=O)c1 67774891 KSGQCHOOUDNRCO-HXUWFJFHSA-N 380.460 1.440 0 50 GDAA CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(S(C)(=O)=O)CC1 65363756 JMYUFAASYNMFCS-UHFFFAOYSA-N 398.510 1.818 0 50 GDAA C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C 252508445 XNLRMZIVIJXLQZ-NSHDSACASA-N 383.378 1.822 0 50 GDAA Cc1ccc(C(=O)N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)cc1 121390487 FSYQECJMFGSDRB-UHFFFAOYSA-N 393.491 1.986 0 50 GDAA CN(C)C(=O)N1CCN(Cc2ccc3ccccc3c2)[C@H]2CS(=O)(=O)C[C@H]21 77303953 ISCYAQMSKQNNRG-RBUKOAKNSA-N 387.505 1.805 0 50 GDAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1C 72149070 HZQVHFKUZILFKD-ZDUSSCGKSA-N 385.420 1.424 0 50 GDAA COc1cccc(CC[C@H]2CCCN(C(=O)c3c[nH]nc3-n3cnnn3)C2)c1 72149663 FNLGJRPUFYPEBP-OAHLLOKOSA-N 381.440 1.879 0 50 GDAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCO[C@@]2(CNCCOC2)C1 72168912 WRUZQLGZCAKRTB-SFHVURJKSA-N 376.844 1.357 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccco2)c(F)c1 72125671 OTMMWQWMQXHIEH-QGZVFWFLSA-N 375.400 1.434 0 50 GDAA O=C(C[C@@H]1COCCN1S(=O)(=O)c1ccccc1)NCc1ccccn1 72477205 GGARWNUTUJPFHY-MRXNPFEDSA-N 375.450 1.178 0 50 GDAA CCN(CCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(C)cc1 72437778 SHGFVRBYGVYZIX-UHFFFAOYSA-N 396.557 1.456 0 50 GDAA CCCc1csc(NC(=O)C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 376953914 QGQPYYVXLGCXGR-KRWDZBQOSA-N 392.485 1.327 0 50 GDAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N3CCC[C@H](C(=O)NC)C3)c2)N=C1C 223384635 OVGKREPBQKEUPP-MGPUTAFESA-N 386.452 1.148 0 50 GDAA CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1[C@@H]1C(=O)Nc2ccccc21 221530192 PGMVUICBNVHMIX-HIFRSBDPSA-N 381.388 1.629 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1nc2ccccn2c1F 426535421 ICFCNSJQSAPMQN-CHWSQXEVSA-N 375.429 1.295 0 50 GDAA CC(C)[C@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1nncn1C 286071514 PSEYRZLZSQCTON-KRWDZBQOSA-N 387.488 1.588 0 50 GDAA CCC(=O)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82121842 SUXQUJOYAPNDJO-MRXNPFEDSA-N 386.496 1.380 0 50 GDAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 177158360 CYRWHNZPSYISOG-NRFANRHFSA-N 391.431 1.900 0 50 GDAA COc1ccc(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)cc1OCCN 426674436 ZODRCFCCNNSYDZ-HNNXBMFYSA-N 386.452 1.501 0 50 GDAA CN1CCCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95519749 RHJFVFPJHCOPBZ-GOSISDBHSA-N 399.539 1.897 0 50 GDAA COc1cccc(CN2CC=C(C)CC2)c1OC[C@H](O)CN1CCOCC1 95521727 MVNYEDJLSUXEAC-LJQANCHMSA-N 376.497 1.919 0 50 GDAA O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 95529323 MJPNHJQYUGWDFZ-MRXNPFEDSA-N 377.441 1.396 0 50 GDAA CC1(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)CCNCC1 92066570 SBHOZAMDWNUDAZ-OAQYLSRUSA-N 387.528 1.573 0 50 GDAA COc1ccc(/C=C/CN2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cc1 91364655 WBRTYHJLWFFKHB-JFZXIXNHSA-N 380.510 1.427 0 50 GDAA CCCCS(=O)(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1 95382111 SUNZELZDMXWQCD-UHFFFAOYSA-N 381.502 1.242 0 50 GDAA Cc1sc2ncc(C(=O)NCc3ccnc(-n4ccnc4)c3)c(=O)n2c1C 180050277 PWZDCHIMKSAVQK-UHFFFAOYSA-N 380.433 1.884 0 50 GDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)CC1 248085039 RGPVJNHIMSQFEG-FQMQPWHVSA-N 383.533 1.898 0 50 GDAA biogenic COCCn1c(CN2Cc3ccc(Cl)cc3C2=O)nnc1[C@H]1C[C@@H](N)C1 252537370 KZOPCRXAKGCPPZ-XBXGTLAGSA-N 375.860 1.939 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)NC(=O)CO2 253414892 YYWKJRAJRCGCPF-CQSZACIVSA-N 380.360 1.097 0 50 GDAA biogenic Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)n2ncnc2n1 363093699 ITVHHLIVGIWALB-MRXNPFEDSA-N 378.436 1.333 0 50 GDAA COc1ccc(CN2CCC(NS(C)(=O)=O)CC2)cc1Cn1cccn1 637883983 TWMBOQINJJJBJV-UHFFFAOYSA-N 378.498 1.454 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(c3ccncc3)CC2)OCC(=O)N1C 1940197000 KTUOOMFTYLHXBZ-RTWAWAEBSA-N 394.475 1.637 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1csc2ccccc12 1940197075 QBFKEDAKOIBIBV-JQFCIGGWSA-N 398.488 1.784 0 50 GDAA O=C(Nc1ccccc1)C(=O)N1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1 827608933 MGHFJWUXJQXCCT-UHFFFAOYSA-N 383.452 1.242 0 50 GDAA CN1CCC(O)(C(=O)N2CCC[C@@H](CNC(=O)C3C(C)(C)C3(C)C)C2)CC1 952982537 YZZGCHLBXQPIAP-HNNXBMFYSA-N 379.545 1.480 0 50 GDAA Cc1cc(CC(=O)N2CCC(CNC(=O)c3cn4ccsc4n3)CC2)on1 952872698 BLUMQWJFRMIXSD-UHFFFAOYSA-N 387.465 1.903 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H](C)Cn2cncn2)C3)cc1 952968933 ACKZICIAMHYTME-AWEZNQCLSA-N 378.436 1.846 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1cc(C)nc2c1c(C)nn2C 952982477 ABHUTRNJOGZSGO-UHFFFAOYSA-N 378.396 1.822 0 50 GDAA CC(C)C1=NO[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C1 952873147 VYIQLJKFNSKRJE-KRWDZBQOSA-N 375.425 1.664 0 50 GDAA C[C@]1(c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cc2)NC(=O)NC1=O 268894423 BIKNRUXEIUPPGN-CPJALAGPSA-N 385.420 1.599 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CN1Cc1ccc(Cl)cc1 91655923 RVNMERGFIYGEPX-CVEARBPZSA-N 379.888 1.572 0 50 GDAA O=S1(=O)CCCN1[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 278753910 BAFQHOBTTPAIRX-INIZCTEOSA-N 376.482 1.779 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCCCC2=O)[C@H]1c1ccccc1 1529162231 YGSCXXAYLJEEGY-UXHICEINSA-N 387.480 1.492 0 50 GDAA CCc1nc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)no1 1529168226 ZUZZFAKTBSKWKT-CVEARBPZSA-N 378.816 1.500 0 50 GDAA O=S(=O)(c1cccc(OC(F)(F)F)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772704970 JMFZFDFKKNFUJQ-BXUZGUMPSA-N 381.372 1.605 0 50 GDAA O=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 5613018 OYSBYVQDVFHRGD-UHFFFAOYSA-N 384.454 1.799 0 50 GDAA O=C(NCCCn1nnc2ccccc21)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 12308970 ITAFZMGCQDVVFA-MRXNPFEDSA-N 392.463 1.771 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(F)(F)F)cc1OC 12597136 QTGXUPKWZHIDBT-GFCCVEGCSA-N 389.374 1.073 0 50 GDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN2C1=O 14742288 MUZFVLQQFZYLQC-RBUKOAKNSA-N 399.470 1.569 0 50 GDAA O=S(=O)(N1CCCC1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857670839 FPASTHCUSJNPOI-SFHVURJKSA-N 378.498 1.680 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cn1 1857679062 VZYVNUVFBCNYLP-SFHVURJKSA-N 393.451 1.209 0 50 GDAA Cc1ccc2nc(N3C[C@H](C(=O)NC4(C(N)=O)CCCC4)CC3=O)sc2c1 1857710700 KWARLLKTEHBLOE-GFCCVEGCSA-N 386.477 1.872 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CCNC(=O)CC4)C3)nc2c1 1857728661 LDEMSPQPYCCVPN-CQSZACIVSA-N 386.452 1.791 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)N3CCN(c4ccccc4C)CC3)CC2=O)s1 1857732771 FWQQWVSAUHZAKK-OAHLLOKOSA-N 385.493 1.857 0 50 GDAA O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 225543810 IDSJUMNSHHNQLI-PWSUYJOCSA-N 378.372 1.515 0 50 GDAA COc1ccc(Br)c(F)c1C(=O)N1CCc2c(O)nc(O)nc2C1 1875306882 FPSUHRUJNZEXEA-UHFFFAOYSA-N 398.188 1.997 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)Cc2ccc3c(cnn3C)c2)C1 1875389057 AFWSLIPUQQSEIU-UHFFFAOYSA-N 379.420 1.532 0 50 GDAA O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCC[C@H]1COCCN1 1875315036 FTKUDMHHGMIBGI-AZUAARDMSA-N 397.475 1.748 0 50 GDAA COc1ccc(F)cc1C(=O)N1C[C@H](CNC(=O)C[C@H]2CCNC2=O)C[C@H]1C 1875334870 ITYNZYQFFWNSCB-HZSPNIEDSA-N 391.443 1.327 0 50 GDAA CC[C@H]1CN(C(=O)c2cnn3ccncc23)CC[C@H]1NC(=O)c1c[nH]nc1C 1875333535 AGGSALPHQBHSGD-XJKSGUPXSA-N 381.440 1.432 0 50 GDAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2coc3ccccc23)CC1 886041127 ZJZJOBXOZYGSDP-UHFFFAOYSA-N 380.422 1.384 0 50 GDAA COc1ccc(-c2cc(=NC(=O)[C@H]3Cc4ccccc4C(=O)N3)[nH][nH]2)c(OC)c1 2100482284 NTWDWHXXGQDTHE-QGZVFWFLSA-N 392.415 1.809 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)c1 2100539734 WBWDMXAOVFZXRW-HAGHYFMRSA-N 385.508 1.447 0 50 GDAA Cc1cccc(OCC(=O)N[C@H]2C[C@H](C(=O)N3CCC(F)CC3)C[C@@H]2O)c1C 2100556357 KGBVVJYJOREUDZ-SZMVWBNQSA-N 392.471 1.898 0 50 GDAA Cc1nn2cc(CNC(=O)c3ccc4nnc([C@@H](O)C(C)C)n4c3)nc2s1 2100556512 CXJZDKDWWACQIP-AWEZNQCLSA-N 385.453 1.761 0 50 GDAA Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325897058 NKTJNAGCUPIXBM-MRXNPFEDSA-N 378.388 1.282 0 50 GDAA CC[C@@H](OC)C(=O)N1CC2(C[C@H](NC(=O)c3ccc(C)nc3C)c3nccn32)C1 2332238049 WVQGAOYLOWLCLS-DLBZAZTESA-N 397.479 1.732 0 50 GDAA CCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(C)cc2)cc1 1859118 DUDBBGUWBGKHEE-UHFFFAOYSA-N 396.443 1.830 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]4COC[C@@]4(CO)C3)c2)o1 2356147752 NCYILKACKGUIQX-YJBOKZPZSA-N 378.450 1.588 0 50 GDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC(OC(F)(F)F)CC2)cc1 2356162442 CHVHLFSMYQYUNI-UHFFFAOYSA-N 382.360 1.240 0 50 GDAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H]3OCC(=O)N(C(C)C)[C@@H]3c3ccccc3)C[C@H]21 2356170112 VLVXWUCLDMPKKT-QDSNELGPSA-N 386.448 1.241 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)N1CCOCC1 3612698 SAEDSVXDOJRWQN-UHFFFAOYSA-N 386.473 1.906 0 50 GDAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCC1 4999244 VZEABGDVDYRMBG-UHFFFAOYSA-N 375.450 1.805 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](Cn3cc(CCO)nn3)C2)c1 63846367 AEIUAIUURMAJQH-MRXNPFEDSA-N 378.498 1.531 0 50 GDAA NCCc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c2ccccc2n1 65489048 QFDBYJWNKFNYLA-UHFFFAOYSA-N 382.512 1.441 0 50 GDAA Cn1nc(C2CCN(C(=O)[C@H]3CCCNCC3)CC2)n(-c2ccccc2)c1=O 67688399 MINVKUWDHCYJBL-KRWDZBQOSA-N 383.496 1.667 0 50 GDAA Cc1ccc(F)c(CNC(=O)Cn2nnnc2CN2C[C@H](C)O[C@H](C)C2)c1F 20909110 AUZLKJXUJMUXPD-BETUJISGSA-N 394.426 1.185 0 50 GDAA COc1ccc2nc(S(=O)(=O)Cc3c(C)c(OC)c(C)c[n+]3[O-])[nH]c2c1 22065482 ZBGMHRIYIGAEGJ-UHFFFAOYSA-N 377.422 1.804 0 50 GDAA in-vitro COc1ccccc1N1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1 61721986 MQVCIUBNFLFPRU-UHFFFAOYSA-N 382.464 1.480 0 50 GDAA Cc1[nH]c2c(c1C(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)CCC2 67872227 VLFWXUDMAMFWFG-UHFFFAOYSA-N 381.480 1.919 0 50 GDAA COC(=O)c1nn(CC(=O)c2ccc3c(c2)OCCO3)c(=O)c2ccccc12 6667976 JZIDIEMCXDVALU-UHFFFAOYSA-N 380.356 1.837 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N(C1CCCC1)C2 71763035 XJIPBFWGYNUTCS-CYBMUJFWSA-N 386.452 1.083 0 50 GDAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 328607928 XOCCEZRDHBVQPL-GFCCVEGCSA-N 397.526 1.753 0 50 GDAA C[C@H](O)C(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2 72470666 ORUPYYVCRJYOGL-INIZCTEOSA-N 381.517 1.835 0 50 GDAA CCCSCC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 440014212 QDIYCCDLEDXPTC-UHFFFAOYSA-N 377.454 1.107 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCSCC3)[C@H]4C2=O)c1 77319609 PQOVAQNMBIPDBW-NTLWEQJWSA-N 384.501 1.852 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nc3ccccc3[nH]2)o1 217422021 PZQBYSSCRJXXTA-KRWDZBQOSA-N 381.436 1.471 0 50 GDAA O=S(=O)(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)N1CCOCC1 223310160 DSDWBCQFQOMGLG-PVARCSIZSA-N 377.466 1.213 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1c1nccs1 95527018 SZVKXGLIJKOJQH-CQSZACIVSA-N 391.501 1.106 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)c2cnn3ccccc23)CC[C@@H]1N1CCOCC1 95390346 AJRSERDPNCVJJU-WBVHZDCISA-N 386.452 1.362 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(O)cc(C(=O)OC)c1)C2 426475470 QHTBVPFUZPZVSK-UHFFFAOYSA-N 386.408 1.058 0 50 GDAA CCCCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2cnc(O)[nH]c2=O)C1 95522332 AIGVSVWVXGUGGU-LBPRGKRZSA-N 381.458 1.040 0 50 GDAA COc1ccc([C@@H]2CN(CC(C)(C)N3CCOCC3)C[C@H]2NC(C)=O)cc1 91656804 BTWSKJTZIRFBCB-VQTJNVASSA-N 375.513 1.710 0 50 GDAA Cc1nn(CCO)cc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 91474498 SUYVSEQILRPWKK-UHFFFAOYSA-N 386.500 1.203 0 50 GDAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(CC(=O)NCc1ccco1)CC2 91781981 URLAPWNPZNRKQZ-CQSZACIVSA-N 377.441 1.074 0 50 GDAA CC[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)CC)c1)c1ncnn1CC 95513335 YAOVYPGWDVWWKL-HNNXBMFYSA-N 379.486 1.820 0 50 GDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 95368870 ZYFKDKAOCBMKPM-GOEBONIOSA-N 382.530 1.598 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(Cc3cccc(OCCO)c3)C2)CCC1=O 91425067 QXWYQAJFPCTOPN-JOCHJYFZSA-N 389.540 1.824 0 50 GDAA CN(Cc1ccccc1N1CCOCC1)C(=O)c1cn(C2CCNCC2)nn1 237166281 CJUGFBKZTJKBAL-UHFFFAOYSA-N 384.484 1.311 0 50 GDAA Cc1cc(CNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)no1 95512377 ONRXRKDVZVDMRF-UHFFFAOYSA-N 393.465 1.716 0 50 GDAA C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 180677028 VQYZYTHTMVLTGD-ACJLOTCBSA-N 377.460 1.182 0 50 GDAA COc1cc2ncn(CC(=O)NCCn3nc(C)cc3C)c(=O)c2cc1OC 253412150 QAKNWCFOKANCQZ-UHFFFAOYSA-N 385.424 1.043 0 50 GDAA COc1cccc(C[C@@H](CNS(=O)(=O)c2cncc(OC)c2)C(=O)O)c1 297186593 LOJHMQYYAQBCIF-ZDUSSCGKSA-N 380.422 1.321 0 50 GDAA CCN1C(=O)COc2cc(NC(=O)NCCN3CCCC[C@@H]3CO)ccc21 299762111 RIBUDJSMUPZGNX-OAHLLOKOSA-N 376.457 1.400 0 50 GDAA O=C(C1CCOCC1)N1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)CCO2 827921448 ZNTWSSMPVYOHED-KRWDZBQOSA-N 376.497 1.989 0 50 GDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)N1CCN(c2cccnc2)CC1 584899386 DTVALOXOYZYHCZ-MRXNPFEDSA-N 395.529 1.117 0 50 GDAA COc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc(-n2cnnn2)c1 952983198 IVJLRBBYIGSQMN-MRXNPFEDSA-N 378.392 1.760 0 50 GDAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2 952965741 CKYKTCBPUHSQRJ-OPOADAIRSA-N 383.448 1.484 0 50 GDAA CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(=O)c3ccccc3o2)CC1 952870087 UOUVECLNXASYEH-UHFFFAOYSA-N 392.477 1.975 0 50 GDAA CN1C(=O)CC[C@H](c2nc(CN3C(=O)NC(C)(C)C3=O)no2)[C@@H]1c1ccccc1 274088885 VTNBCRJPPXRRPM-BBRMVZONSA-N 397.435 1.977 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)N1 1529181118 KFGCADQXGNETFU-KRWDZBQOSA-N 385.443 1.529 0 50 GDAA COCC(=O)N[C@]1(C)CCOC2(CCN(c3ccc(F)c(C)n3)CC2)[C@H]1O 1772712789 YYFYXVFJJIVMCS-ZWKOTPCHSA-N 381.448 1.171 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCn1ccnc1 12651098 RUFAIVMFTLYQOJ-UHFFFAOYSA-N 376.482 1.796 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CN2C1=O 14754235 PHDIYMHECYKVPR-HJPIBITLSA-N 378.860 1.976 0 50 GDAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc[nH]4)ccn3n2)c1 169777079 CXWNEXCPVXUIGU-UHFFFAOYSA-N 377.404 1.930 0 50 GDAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@@H](CO)C[C@@H](CO)C1 1857737804 DJRVAYBOIUYARP-HZSPNIEDSA-N 389.477 1.099 0 50 GDAA NC(=O)c1ccccc1OCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857738790 YKZJLQGUGUQITK-FUHIMQAGSA-N 395.459 1.495 0 50 GDAA Cc1cccnc1N1C[C@@H]2[C@H](CNC(=O)c3c(C)ncn3C)[C@H]3CC[C@]2(C1)O3 1875247507 NBPGYRYHUSIHJG-BIZBXSGISA-N 381.480 1.846 0 50 GDAA COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1OCC(=O)NC(C)C 266727079 WCRSDHVQGGQRMQ-SJORKVTESA-N 389.496 1.907 0 50 GDAA Cc1ccc(NC(=O)[C@@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 266967107 YKCSTTVXHKLLAP-MRXNPFEDSA-N 399.495 1.905 0 50 GDAA Cn1cc(Cl)c(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)n1 1704339204 DYGZKUAWEJBFIC-KBXCAEBGSA-N 377.828 1.594 0 50 GDAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1nn(-c2ccc(F)cc2)cc1O 1299446164 NGFFZSCTMSQSKX-UHFFFAOYSA-N 379.355 1.827 0 50 GDAA CC[C@H](NC(=O)c1n[nH]c2c1CCSC2)c1cn(CCCC(=O)O)nn1 1875357063 ZISUDWGGJJOSIL-NSHDSACASA-N 378.458 1.536 0 50 GDAA C[C@H]1CC2(CO1)CC(NC(=O)C(=O)NC[C@@]1(c3ccccc3)COCCO1)C2 1875329649 BHOVWQGPLQVMJD-GFTRJPJWSA-N 388.464 1.119 0 50 GDAA CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C(C)(C)C)c2)C1 2325772280 PGYKQCFXHWRPFS-HNNXBMFYSA-N 376.482 1.894 0 50 GDAA CCC[C@](C)(CC)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 2325793203 KNRHFWNJBOPAPW-QAPCUYQASA-N 399.557 1.346 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CCc4nc(-c5ccccc5)nn4CC3)c(=O)n2n1 2356138274 KNXCUVHCKVPUNL-UHFFFAOYSA-N 389.419 1.288 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccn4cnnc34)C1)CC2 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Cc1ncsc1CN1CCc2nc(C(=O)N[C@@H]3CCSC3)cn2CC1 1940197677 HYFGRVQVUMYKDI-CYBMUJFWSA-N 377.539 1.942 0 50 GDAA O=C(Cc1ccccc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299764119 STOXKQVITDBHAP-OAQYLSRUSA-N 399.535 1.695 0 50 GDAA O=C([C@@H](O)c1ccccc1F)N1CCC2(CC1)CN(Cc1cnc[nH]1)CCO2 827654478 SWSRHIWEBPGTCB-SFHVURJKSA-N 388.443 1.476 0 50 GDAA Cc1nc(N)nc(-c2cccc(C(=O)NC[C@@H]3CN(C)CCO3)c2)c1Cl 584893599 WGSDJUKILFZERA-CQSZACIVSA-N 375.860 1.748 0 50 GDAA CCc1nccn1CCC(=O)NC[C@@H]1CCCN(c2nccnc2C(=O)O)C1 952979774 PMNMWTJGZLZWAT-AWEZNQCLSA-N 386.456 1.357 0 50 GDAA O=C(CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1)NCc1ccccc1 1565514884 JSOIMTVGHQYURX-UGKGYDQZSA-N 385.508 1.388 0 50 GDAA CCN(CCNC(=O)[C@@H](Cc1ccccc1)n1nnnc1C)CC(F)(F)F 170605846 UVDZXLYRSHNXMV-OAHLLOKOSA-N 384.406 1.766 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1 1506397435 RQSOGCNETMIOKZ-HNNXBMFYSA-N 381.436 1.443 0 50 GDAA CCOc1ccccc1C(=O)N1CCCN(CC(=O)Nc2cn(C)nc2C)CC1 1529090341 GWXGIBLJHNTACO-UHFFFAOYSA-N 399.495 1.914 0 50 GDAA CCCn1nc(C)cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1529151600 KKSNSGVTYDWNJA-UHFFFAOYSA-N 376.438 1.775 0 50 GDAA COc1ccc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 1132516 UJRMBLMOEIDOGH-UXBLZVDNSA-N 390.461 1.723 0 50 GDAA O=C(c1ccc(Cl)o1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@@]2(CO)C1 1772703772 DRJUXDYRUPUVNH-ACJLOTCBSA-N 382.844 1.253 0 50 GDAA COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCC(C)C)n(C)c1=O 12231657 WBJMHXHNKPPVSG-UHFFFAOYSA-N 388.472 1.392 0 50 GDAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009221 YZKOQROYILNGEY-UHFFFAOYSA-N 388.428 1.312 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCN2C1=O 14745743 LIIYDRCUYFUQPG-LXZKKBNFSA-N 393.509 1.049 0 50 GDAA CN(CC(=O)N1CCSCC1)S(=O)(=O)c1ccc(Br)cc1 16606361 GXRFMJZBUYJOQV-UHFFFAOYSA-N 393.328 1.645 0 50 GDAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 16626374 RPUQRSHAEQDGBF-RTBURBONSA-N 381.476 1.672 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)N=C1C 169771886 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378.406 1.538 0 50 GDAA O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 862379 XIENEDQJYWXVME-UHFFFAOYSA-N 389.429 1.747 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)[C@@H](c2ccccc2Cl)N1 2356143814 XKGZSWVJSPAHPA-CVEARBPZSA-N 389.843 1.420 0 50 GDAA Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC1CCCC1 4511450 OVZSZEXLABXFAY-UHFFFAOYSA-N 382.482 1.454 0 50 GDAA CCOc1ccc(C(=O)CCC(=O)NCCS(=O)(=O)N2CCCC2)cc1C 55568731 FVSJPEGOVRPAJN-UHFFFAOYSA-N 396.509 1.898 0 50 GDAA C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CCS1(=O)=O 134727592 HAPPVAKKJKOMBC-XFBWCDHKSA-N 387.452 1.539 0 50 GDAA NS(=O)(=O)c1ccc(CCNCCC(=O)N2CCc3ccccc3C2)cc1 65491455 WAYRSIIIQKTWRP-UHFFFAOYSA-N 387.505 1.441 0 50 GDAA Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)n1 64799845 FPZNFOIDXJVFTM-UHFFFAOYSA-N 385.443 1.723 0 50 GDAA CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)cc1 32093821 ALSWCZUQZSHVAP-AWEZNQCLSA-N 379.424 1.938 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)cn1 328631093 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CCCCOc1ccccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704315690 BLQPVJCEKLRZMH-HOCLYGCPSA-N 384.498 1.502 0 50 GDAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772819162 PXFGOWLTMJWWNE-GOSISDBHSA-N 382.482 1.272 0 50 GDAA CC1(C)CNC(=O)C2(CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)NC1 1775977389 GJFOJCROGJRINT-UHFFFAOYSA-N 387.528 1.328 0 50 GDAA C/C=C/CN1CCC2(CC1)OCC[C@@](C)(NC(=O)c1cncc(O)c1)[C@@H]2O 1772703140 VWVDAYCNOWZXLM-CZHQAMEJSA-N 375.469 1.468 0 50 GDAA O=C(c1nnc(O)c2ccccc12)N1C[C@H]2CN(C(=O)C3CCC3)C[C@]2(CO)C1 1772708725 BJSOGHUQXXSSAX-SPLOXXLWSA-N 396.447 1.028 0 50 GDAA CCOC(=O)CCNC(=O)CCc1nnc(CCc2ccccc2OC)o1 11813787 YRMKCZHTKUIQNT-UHFFFAOYSA-N 375.425 1.865 0 50 GDAA O=C(c1cccc(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)c1)N1CCOCC1 12718701 HTXZHDSAVXYGLY-QGZVFWFLSA-N 388.464 1.565 0 50 GDAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3c(Cl)cccc3Cl)CN2C1=O 14530461 RJWFITUSUBGONG-UWJYBYFXSA-N 385.251 1.993 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCCn1cccn1 15065457 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NC(=O)c1ccc(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1 486055361 RNCCMUQVDHDLJT-UHFFFAOYSA-N 391.424 1.646 0 50 GDAA CN(CC(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1)Cc1cccnc1 1704325080 CYSGFJNYOZSOOT-JOCHJYFZSA-N 394.523 1.876 0 50 GDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H]3C[C@@H](C)CN3C1)CCO2 1875396037 TVGMNKNLRDCJHF-OTCCCMFWSA-N 397.585 1.986 0 50 GDAA C=CC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)[C@@H](C)C1 1875380833 BMYFGQDIQTXEDP-ZDUSSCGKSA-N 375.494 1.602 0 50 GDAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1Nc1ncnc2ccc(N3CCOCC3)cc12 1875398907 IQJJLTLPRKIBRI-CWFSZBLJSA-N 394.479 1.915 0 50 GDAA Cc1noc(C(=O)N2CCC([C@@H](C)NC(=O)CNC(=O)C(C)(C)C)CC2)c1C 1775991223 JQAISENRNJBJCB-CQSZACIVSA-N 392.500 1.811 0 50 GDAA O=C(c1cn2ccsc2n1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 2100541263 YHKISLFRJMVUOG-LPHOPBHVSA-N 389.452 1.963 0 50 GDAA Cc1[nH]nc(CN2C[C@H](CC(=O)N[C@]3(C)CCN(C)C3)OCC23CCC3)c1C 2325785346 QYGLLGXSTQMCAZ-FXAWDEMLSA-N 389.544 1.751 0 50 GDAA CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 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MTGSTLZYBXCIMT-UHFFFAOYSA-N 380.448 1.815 0 50 GDAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 95503960 IJBJMCNUNYPHOA-QGZVFWFLSA-N 375.517 1.553 0 50 GDAA C[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccccn2)c1 95362230 AGJKFLGCEOPDJT-CQSZACIVSA-N 377.466 1.103 0 50 GDAA CCn1c(=O)n(CC)c2cc(NC(=O)N3CCS(=O)(=O)CC3)c(C)cc21 96164674 GQXDCAUGHJJCMN-UHFFFAOYSA-N 380.470 1.414 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 96133224 YRWSNIBIDBYPGM-UHFFFAOYSA-N 384.484 1.309 0 50 GDAA O=C(NCCn1nc(O)c2ccccc2c1=O)C1CCN(Cc2ccco2)CC1 95379368 ABRSIAHXPQDLPI-UHFFFAOYSA-N 396.447 1.724 0 50 GDAA Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)n1 91321367 XAZLUJFCXPAKMF-OAHLLOKOSA-N 386.427 1.315 0 50 GDAA COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cn1 252507633 WQBQGHOLROTALZ-UHFFFAOYSA-N 392.463 1.974 0 50 GDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCN(C4CCSCC4)CC3)nn2)CC1 252666578 BZASCDRZZUTSRK-FZNQNYSPSA-N 378.546 1.374 0 50 GDAA Cc1nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nc2c1CCCC2 534635636 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CC(C)Cc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)nc(O)n1 1506424532 KJHNZPXPHAMPQG-HNNXBMFYSA-N 383.452 1.697 0 50 GDAA Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)c2)n1 1704356974 ABWTWMFFCREJHD-BGYRXZFFSA-N 383.404 1.550 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14732876 LLQITWZSALLSNM-HUUCEWRRSA-N 379.844 1.896 0 50 GDAA CCOCCCN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14755835 XFANYMSLBKCGTI-QGZVFWFLSA-N 392.544 1.885 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(OC)cc1C 1857669492 XULSMDZBNGSWPF-YVEFUNNKSA-N 385.438 1.124 0 50 GDAA COc1nc2ccccc2nc1CCC(=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857683554 JJDLNECZEQMBJA-DYESRHJHSA-N 398.463 1.061 0 50 GDAA C[C@H]1CN(c2nc(N(C)C)nc3c2CCC32CCN(CCO)CC2)CCO1 1857684221 DPJWRRSMXNVCOB-HNNXBMFYSA-N 375.517 1.040 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnn(C)c3C)CC(=O)N2[C@H]1c1ccccc1 1857720461 VTVOSFQSSGYYNS-BXWFABGCSA-N 396.447 1.316 0 50 GDAA Cc1nc(N2CC3(CNC(=O)N3C)C2)c2c(n1)[C@@]1(CCCN(CC3CC3)C1)CC2 1875240617 FIGFOUFBEPGMGT-NRFANRHFSA-N 396.539 1.689 0 50 GDAA CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 36289479 DXEFROABUWBLJD-UHFFFAOYSA-N 395.312 1.356 0 50 GDAA O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1CCc2[nH]ncc2C1 164452014 OQMBEKHZFCDJDO-SFHVURJKSA-N 399.495 1.477 0 50 GDAA CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@](C)(CC(C)C)C(=O)O 1875345602 CYJRVRWCGBRMJX-RHSMWYFYSA-N 376.519 1.834 0 50 GDAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(C3CC3)c1)C2 1875395304 AELCMZMLEZKCNK-INIZCTEOSA-N 376.478 1.282 0 50 GDAA Cn1cc(N2C[C@@H](C(=O)N3CC(C)(C)[C@H]3c3nccn3CC3CC3)CC2=O)cn1 888100615 ULYUHODGZCHPPS-MAUKXSAKSA-N 396.495 1.989 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCCN(c2nc3ccccc3o2)CC1 2100555279 OZOWAKGMGBNMRN-UHFFFAOYSA-N 380.452 1.523 0 50 GDAA CCC(=O)NCc1ccnc(CNC(=O)[C@H]2COc3c(cccc3OC)C2)c1 2100556171 GXYCUUHUBLEGJO-MRXNPFEDSA-N 383.448 1.984 0 50 GDAA CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC3(CCOCC3)C[C@@H]2CC(=O)O)C1 2325812859 MXVVDASBADCKSX-GJZGRUSLSA-N 396.484 1.132 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 2325888613 KJWNFGXACOLRNZ-ZFWWWQNUSA-N 375.856 1.986 0 50 GDAA O=C(NCc1ccnc(CNS(=O)(=O)Cc2ccccc2)c1)[C@H]1CCCO1 2356157596 MMTZMPJPNJWVBG-GOSISDBHSA-N 389.477 1.496 0 50 GDAA Cc1nc(CN2CCC(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)oc1C 111659276 IKTQEMSNHMFCPM-UHFFFAOYSA-N 396.447 1.817 0 50 GDAA CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 67612379 XOUOQFGLWYKKAN-INIZCTEOSA-N 382.530 1.148 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCN(C)CC3)cc2)CC1 20637273 JPDIMAIPPPOAFR-UHFFFAOYSA-N 389.496 1.481 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCCC1 35416842 IHRRYJGZUDEXAX-UHFFFAOYSA-N 379.526 1.994 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 35889468 WMMRDPXCJKJVCO-UHFFFAOYSA-N 398.554 1.482 0 50 GDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)[C@@H](N)Cc1c[nH]c3ccccc13)C2 71614007 IIZOVDFHFWCZRY-KRWDZBQOSA-N 378.480 1.787 0 50 GDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnc3)cc1)C2 72407309 PFTGHFOTKZPRJB-UHFFFAOYSA-N 380.408 1.527 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)cc1C(N)=O 370294090 LLDFTTVEGACEDK-CYBMUJFWSA-N 381.429 1.495 0 50 GDAA Cc1cc(N2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)cc(C)n1 15071847 HTBRVZSBSLCVPG-UHFFFAOYSA-N 396.455 1.188 0 50 GDAA O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CC[C@H](C(=O)O)O1 262277819 IIWUMEKMJQPKBW-DTWKUNHWSA-N 392.721 1.650 0 50 GDAA Cc1nnc(CN2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)o1 71708026 MCOZACJXQSSYHU-GOSISDBHSA-N 398.511 1.766 0 50 GDAA CC(C)OCCCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712119 OEQUJDVTEBGPBT-INIZCTEOSA-N 377.485 1.907 0 50 GDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)C1 239722585 CDOHUWBDVJRZSD-CABCVRRESA-N 398.481 1.278 0 50 GDAA O=C(N[C@@H]1CCCc2cn[nH]c21)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 287479103 ICGKGXFAGVILCC-UONOGXRCSA-N 383.456 1.305 0 50 GDAA Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c2c(O)nc(=O)n(C)c2n1 426597396 KUOQNGYYGQJGNE-ZDUSSCGKSA-N 384.440 1.384 0 50 GDAA CC(C)[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1NS(C)(=O)=O 82083424 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CCn1cnnc1CN(C)C(=O)c1cccc(-c2cnn(CCC(N)=O)c2)c1 534637122 JYVGHNHSHMJOEK-UHFFFAOYSA-N 381.440 1.309 0 50 GDAA CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2ccc(F)cc2o1 285764744 SWJMRBIYFMEBPI-MFKMUULPSA-N 382.413 1.380 0 50 GDAA C[C@H](C(=O)N1CCOC2(CCN(C(=O)C3CCOCC3)CC2)C1)n1cccc1 820619811 LRLXQUPDYGVQSU-QGZVFWFLSA-N 389.496 1.696 0 50 GDAA CN1CCN(C)[C@H](CNC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)C1 584893189 GRKVVUOIBOOOFO-LJQANCHMSA-N 383.496 1.745 0 50 GDAA COc1cncc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 277308321 SNFDELIWLXCNKO-UHFFFAOYSA-N 378.791 1.876 0 50 GDAA CN1CCN([C@H]2CCN(Cc3cc(CN4CCCC4)cs3)C[C@@H]2O)CC1 208910568 YVGQHKBRCOQPDC-PMACEKPBSA-N 378.586 1.527 0 50 GDAA O=C(CN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1)NCc1ccccc1F 1529154923 LVADHDKBPZWOTM-RBBKRZOGSA-N 386.467 1.730 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 219779730 DKAYAVYGJBWZSQ-SJORKVTESA-N 388.445 1.583 0 50 GDAA COc1ccc2c(c1)OCCn1cc(nn1)CCC(=O)N[C@H]1CCCN(C1)C2=O 1704322835 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1940195752 KBVLVCABHPIVIQ-NRFANRHFSA-N 396.447 1.021 0 50 GDAA O=C(NC[C@H]1CCCN(CCO)C1)Nc1ccnn1Cc1cccc(F)c1 299795713 OWEFBGFUPOZFPL-MRXNPFEDSA-N 375.448 1.896 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3nsnc3c2)o1 670435465 MDDNIYZOIVKGSZ-KRWDZBQOSA-N 399.476 1.600 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3C[C@H]4CCN(Cc5nccn5C)[C@H]4C3)cc2n1 1073341014 DVTBPGWTLUPVBC-WBVHZDCISA-N 379.468 1.426 0 50 GDAA Cc1nc(CN2CCOC3(CCN(C(=O)[C@H]4CCCCCN4C)CC3)C2)no1 952873674 YFLHHXLRLOWHMS-QGZVFWFLSA-N 391.516 1.446 0 50 GDAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC(N2CCN(CCO)CC2)CC1 952868855 BGFPYJZIABATIJ-UHFFFAOYSA-N 383.496 1.087 0 50 GDAA CCc1cc(CN2CCN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)on1 1565525537 FBXOVPSEBXIARJ-RBUKOAKNSA-N 375.494 1.720 0 50 GDAA CCS(=O)(=O)c1cccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)c1 268371476 GJMWQBDWDFTNEE-UHFFFAOYSA-N 383.495 1.492 0 50 GDAA Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)C(=O)O 275077251 MMLUDIYMQBGPSO-CQSZACIVSA-N 380.451 1.751 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1 275362098 VUBJIZPIGXZOKU-CQSZACIVSA-N 394.453 1.315 0 50 GDAA C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275616073 RHZXGIZEEHUATD-IAGOWNOFSA-N 375.517 1.520 0 50 GDAA CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C 748595864 MECVTBZXTIRDQS-GOSISDBHSA-N 382.482 1.997 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(OCc3ccccn3)CC2)cc1 1506403883 UVODOMKDRHUMEH-UHFFFAOYSA-N 389.477 1.811 0 50 GDAA Nc1cc(C(=O)N2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)[nH]n1 1529197810 WVKWWUIMWLCPMG-UHFFFAOYSA-N 381.440 1.176 0 50 GDAA COc1cccc([C@@H]2CCN(c3cc(N)nc(N4CCOCC4)n3)C2)c1OC 1529098590 ISPMZROHQGMQMM-CQSZACIVSA-N 385.468 1.907 0 50 GDAA O=C1CN(c2cncc(C(=O)N3CCCC3)n2)CCN1CCc1ccccc1 1529119102 BQZKWXGUBBCGFI-UHFFFAOYSA-N 379.464 1.604 0 50 GDAA Cc1cccc(Cc2nnc(NC(=O)[C@H]3CCc4nn(C)c(=O)n4C3)s2)c1 1529099862 FOSKZJRULXMZLZ-ZDUSSCGKSA-N 384.465 1.534 0 50 GDAA CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCN(C)C)C2)cc1 11663021 VTVPTICVZMXSEA-GOSISDBHSA-N 375.513 1.933 0 50 GDAA CSc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 12157364 ZCYPJSHRYFGAIG-MRXNPFEDSA-N 389.525 1.949 0 50 GDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2ccccc2F)[nH]n1 12317371 VOFAOPXXCPCHSK-AWEZNQCLSA-N 391.399 1.922 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCN1CCCc2ccccc21 13636660 KIWQRQZBBIBGGN-LJQANCHMSA-N 386.540 1.792 0 50 GDAA COc1ccc(CCC(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OC)C2)cc1 14530959 NPYGOWYDGAVHSE-HXUWFJFHSA-N 397.475 1.909 0 50 GDAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1nnnc1CN1CCCC1 14968928 VDRSWEQPHRDJBN-UHFFFAOYSA-N 382.390 1.946 0 50 GDAA CN1CCN(C(=O)C[C@@H]2Cn3ncc(-c4ccc(Cl)cc4)c3NC2=O)CC1 16649903 YRCOJRNATLAZQM-CQSZACIVSA-N 387.871 1.936 0 50 GDAA CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 19868498 ZAQPSOZGZOXNMT-UHFFFAOYSA-N 383.489 1.142 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)Cn2ccnc2-c2ccccc2)CC[C@H]1O 1857723668 QEAVPGXIXHLKAD-NQIIRXRSSA-N 387.480 1.549 0 50 GDAA COc1nc(N2C[C@@H]3[C@H](CNC(=O)C(C)(C)C)[C@H]4CC[C@]3(C2)O4)ncc1F 1857727125 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CN1CC[C@@H](CNC(=O)[C@@]2(O)CCc3cc(Br)ccc3C2)CC1=O 888100389 GOHVZZRZPJWOHI-KZULUSFZSA-N 395.297 1.654 0 50 GDAA Cn1c(=O)cc(N2CCN(c3ccccc3)CC2)n(Cc2ccccc2)c1=O 1775988750 GBCTUUWPOXYLBW-UHFFFAOYSA-N 376.460 1.922 0 50 GDAA Cc1nc(N[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2C(F)(F)F)nc(N(C)C)n1 1775992159 JZKITFAOTTZLEJ-GHMZBOCLSA-N 398.393 1.095 0 50 GDAA O=C(c1cnn2c1CCCN2)N1CCN(Cc2ccccc2)CC(F)(F)C1 2325804708 JWTXHRYIZXOYBH-UHFFFAOYSA-N 375.423 1.966 0 50 GDAA Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1c[nH]c2c(c1=O)CNCC2 2325815712 FZJNLABKTYJAPW-CQSZACIVSA-N 377.448 1.809 0 50 GDAA CC1=NO[C@](C)(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSc3cnn(C)c3)C2)C1 2325865644 KKBABCSUYYRNCC-KEYYUXOJSA-N 397.476 1.122 0 50 GDAA COC(=O)COc1ccc(Cl)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 1131593 CZLBASIVDSRXGK-CQSZACIVSA-N 384.841 1.858 0 50 GDAA COc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(C)cc2)cc1 1864053 NPOVIUJLWPVPQN-UHFFFAOYSA-N 398.415 1.276 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)Cc2nc(-c3cccnc3)n[nH]2)C1 2356156334 WNKLOYQGECZTPR-FQEVSTJZSA-N 390.451 1.118 0 50 GDAA CC(C)c1cc(C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)nc(=N)[nH]1 2356160249 KDAJXGQWPUVOSK-UHFFFAOYSA-N 377.452 1.970 0 50 GDAA COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1NC(C)=O 7668160 NRCGTXBQFMCJMZ-UHFFFAOYSA-N 375.406 1.801 0 50 GDAA CN(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 10111530 LOMOXOVNRVIHSC-UHFFFAOYSA-N 379.457 1.699 0 50 GDAA COCCCN(C)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCOCC1 225766937 HZEFGJIQMCWMJD-MRXNPFEDSA-N 387.521 1.391 0 50 GDAA Cc1nonc1C(=O)NCC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 55341648 RVNSKUDFABMFDO-UHFFFAOYSA-N 380.788 1.965 0 50 GDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)sc1C 55308984 NGOYJIATZCSPAF-INIZCTEOSA-N 387.509 1.204 0 50 GDAA CNS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3cc(O)c(C(=O)O)cc32)cc1 65424043 VIIFNOMUDYYPGE-NSHDSACASA-N 376.390 1.473 0 50 GDAA CCCN(C[C@@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67770089 QJALLGWMWPNTFK-NSHDSACASA-N 388.511 1.672 0 50 GDAA Cc1nc2ncccc2cc1C(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C 67935201 IGSJUQYHAAZCRT-KRWDZBQOSA-N 379.468 1.803 0 50 GDAA CC(C)n1cc(C[C@@H]2N=C(O)N(CC(=O)N3CCCc4ccccc43)C2=O)nn1 328615458 YNGAKRWMXCNEMP-INIZCTEOSA-N 396.451 1.506 0 50 GDAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(CC(=O)NCc1cccs1)C2 219095164 SAHWWKDZRNULTK-KRWDZBQOSA-N 377.514 1.062 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2sccc2S(N)(=O)=O)CCCN1CC1CC1 71614513 WLKHGKGIINZBAZ-CQSZACIVSA-N 385.555 1.978 0 50 GDAA CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71415778 BMTMZKSBSGYKBX-SFHVURJKSA-N 396.491 1.969 0 50 GDAA C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCC2(CCNC2)CC1 333167936 HROSLWQGOFHOBZ-SFHVURJKSA-N 386.544 1.377 0 50 GDAA CN(C(=O)Cc1noc(C2CCC3(CC2)NC(=O)NC3=O)n1)C1CCCCC1 333221440 RXHRHMDAHPZRAR-UHFFFAOYSA-N 389.456 1.639 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cnc(NC[C@H]3CCCO3)nc1)C2 426487280 CFYJOTHSKPFWGX-GOSISDBHSA-N 399.499 1.306 0 50 GDAA Cc1cnn(CC(=O)N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)c1 91563451 NRYPIDPUOGLZLB-UHFFFAOYSA-N 398.511 1.710 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)CN3CCc4ccccc4C3)C2)CN1CCO 91460325 SWPNSGQSHBBHDR-QFIPXVFZSA-N 385.508 1.268 0 50 GDAA C[C@H]1CS(=O)(=O)CCN1Cc1cc(Br)c2c(c1)OCCO2 179770628 YJDNJARDTPRADI-JTQLQIEISA-N 376.272 1.839 0 50 GDAA O=C(NCc1ccccc1-n1cncn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 91915287 XOLCZAUMGRFZJY-MRXNPFEDSA-N 376.420 1.327 0 50 GDAA CC(C)CN1CC2(CCN(C(=O)c3ccc(-n4cnnc4)nc3)CC2)CC1=O 91382240 HDMGTTKYMRKDHF-UHFFFAOYSA-N 382.468 1.773 0 50 GDAA O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2 245240429 RVVKTLZRQQKBFW-WKRCXCSHSA-N 379.391 1.824 0 50 GDAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1=O 299746992 BTMDROSMRHQBQR-BZSNNMDCSA-N 387.480 1.131 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)NCc3nnc4n3CCC4)C[C@H]2O)cc1 1940194969 FYINEILWALABMY-GVDBMIGSSA-N 397.479 1.109 0 50 GDAA COc1ccccc1-n1cc(CNC(=O)c2nnc3nc(C)cc(C)n23)cn1 824835220 YMCUNTSUHRQFFG-UHFFFAOYSA-N 377.408 1.865 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1nc2ccc(F)cc2[nH]1 670455941 YYYJLOFRNGXNMK-UHFFFAOYSA-N 393.396 1.816 0 50 GDAA CCNc1ncc(CN2C[C@H]3c4ccc(OC)cc4OC[C@@]3(C(=O)O)C2)cn1 1565529144 VWEMAIIDTWMXQW-JXFKEZNVSA-N 384.436 1.980 0 50 GDAA CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1 268909272 FMAMYALWBURDCZ-VIFPVBQESA-N 390.255 1.789 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3nc(N)c4cnn(C)c4n3)C1)CC2 1704326495 FZVZDGYFRHSMSJ-LJQANCHMSA-N 379.472 1.286 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)CN3CCCN(C)CC3)CC1)OCC2 1704312302 IKNMZCSOGYLFHP-UHFFFAOYSA-N 387.524 1.723 0 50 GDAA Cc1ccc2cc(CN3CCC([C@H](O)CO)CC3)c(N3CCOCC3)nc2c1 1772712856 SFZXHKVSHHXZSI-OAQYLSRUSA-N 385.508 1.945 0 50 GDAA Cn1nccc1-n1nc(-c2ccc(F)cc2)nc1[C@H]1CCCN(C(=O)CO)CC1 1772819128 FMPDPMIEYFNRTQ-HNNXBMFYSA-N 398.442 1.895 0 50 GDAA CCCCS(=O)(=O)N1CCCN(C(=O)c2cnc3ccnn3c2C)CC1 1772804988 HMBDZJHMTSNWRL-UHFFFAOYSA-N 379.486 1.316 0 50 GDAA CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)/C=C/c1ccncc1)CC2)C(C)C 11785737 AWAJXSSCMCUWFK-XJDXJNMNSA-N 396.495 1.995 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(C)cc2)no1 169755137 ROCBAWUJUHQYRV-UHFFFAOYSA-N 376.394 1.623 0 50 GDAA O=C1CC2(CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)OCCN1 1857684592 UGAJLKDFEPXGSB-UHFFFAOYSA-N 380.491 1.961 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2ccccn2)C[C@H]1NC(=O)CCc1ccnn1C 1857689991 RDWQWFOEMVEFNN-KFKAGJAMSA-N 399.495 1.364 0 50 GDAA CN(C)CC(=O)N1CCC[C@@]2(CN(Cc3nc4ccccc4[nH]3)CC[C@H]2O)C1 1857692825 WCLQPCUIIXIKHA-WIYYLYMNSA-N 385.512 1.300 0 50 GDAA Cn1ccnc1CN1CCC2(CCC[C@@H]2NC(=O)CCc2cc(O)no2)CC1 1857708501 XJXRVBOSNDJTKW-INIZCTEOSA-N 387.484 1.997 0 50 GDAA COc1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)ccn1 1857718334 DRPNIADJXANWFP-ICSRJNTNSA-N 398.463 1.400 0 50 GDAA CCCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)cn1 1857718692 OJBSWMRMRICQGW-CYBMUJFWSA-N 376.486 1.937 0 50 GDAA COc1ccc2c(C)c(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)oc2c1OC 1857732373 NRNLDUKNHOGTIS-VLIAUNLRSA-N 386.404 1.932 0 50 GDAA Cc1cc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)ccc1F 1857738512 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CNC(=O)CN(C[C@H]1CCCC1(F)F)C(=O)CCCCN1C(=O)C=CC1=O 1875387282 ZCGDOPZFCULTSV-CYBMUJFWSA-N 385.411 1.092 0 50 GDAA COc1ccc(-n2nc(-c3cnn(CCO)c3)nc2-c2cnn(C)c2C)cc1 1875340728 PCZFFVQQHMKOTG-UHFFFAOYSA-N 379.424 1.841 0 50 GDAA COc1ncc([C@@H](C)N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1Cl 1875399974 OAOJMATWXFDQOF-YPMHNXCESA-N 393.875 1.071 0 50 GDAA COc1cccc(C(F)(F)CNC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)n1 888101661 NJCXJLYBPBMIES-QWRGUYRKSA-N 377.413 1.447 0 50 GDAA NC(=O)c1cc2n(n1)CC1(CCN(Cc3ccnn3CC3CCC3)CC1)OC2 1775961458 BIIAQDWQHNCBPX-UHFFFAOYSA-N 384.484 1.544 0 50 GDAA CCC[C@@H](C)C(=O)N1CC2(CCOCC2)C[C@@H]1CNC(=O)C(C)(C)C(N)=O 1775997428 HFSXDQORWLHGHW-HUUCEWRRSA-N 381.517 1.448 0 50 GDAA CN1CCN(c2ncc(C(=O)NCc3cn(-c4ccccc4)nn3)s2)CC1 2325749920 FOYRMCQWALBXBL-UHFFFAOYSA-N 383.481 1.406 0 50 GDAA O=C(C[C@@H]1CN(C(=O)c2ccoc2)C2(CCC2)CO1)N1CCN2CCC1CC2 2325785103 BSIJKGHOMCQOBE-GOSISDBHSA-N 387.480 1.740 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1CCc2nc(C3CCOCC3)nn2CC1 2356134243 FVHWHJOIVOQBPS-UHFFFAOYSA-N 393.451 1.451 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCc2nc(C3CC3)nn2CC1 2356136635 CNAYZOQGSAODLS-UHFFFAOYSA-N 388.497 1.456 0 50 GDAA CN(C)c1ccc(-c2ccnc(NCCS(=O)(=O)N3CCOCC3)n2)cc1 2356149323 UZZJHFVDMXKWEL-UHFFFAOYSA-N 391.497 1.284 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3ncc4c(n3)CCN(C)C4)cn12 2356159573 HTLNCYMYIJLLKV-GOSISDBHSA-N 395.467 1.127 0 50 GDAA CN1CCN(C(=O)Cn2ccc(NC(=O)Cn3ccc4ccccc43)n2)CC1 135276180 AVIAQIVBNMNRRX-UHFFFAOYSA-N 380.452 1.251 0 50 GDAA O=C(O)CCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 116342698 PFSPIGXXMLUVQJ-UHFFFAOYSA-N 380.388 1.877 0 50 GDAA CCn1c(CC2CCN(Cc3cc(F)c(O)c(OC)c3)CC2)nn(C)c1=O 67805871 WAFJYQDULZDBED-UHFFFAOYSA-N 378.448 1.910 0 50 GDAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 67871438 SSHZSNOPJDCGEL-HKUYNNGSSA-N 376.464 1.582 0 50 GDAA O=C(O)c1[nH]ncc1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67774515 SEHYNPKTSCLRJW-UHFFFAOYSA-N 382.424 1.421 0 50 GDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1 328653228 WUYFTUYIGODHCF-OAHLLOKOSA-N 378.473 1.874 0 50 GDAA CCOCC(C)(C)NC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71748502 PZGDOZPNYRZQEW-HNNXBMFYSA-N 377.485 1.907 0 50 GDAA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)O)c1=O 218046172 VTAMUOAUEAEYOK-LBPRGKRZSA-N 391.376 1.356 0 50 GDAA biogenic Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC2CCN(C)CC2)CC1 72436874 MPWGODRZCVNXCY-UHFFFAOYSA-N 393.553 1.747 0 50 GDAA O=C(CCc1cc2n(n1)CCNC2)NC[C@@H](c1cccnc1)N1CCCCC1 72435052 HOHREWKTSZACIL-FQEVSTJZSA-N 382.512 1.657 0 50 GDAA CCNC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 363519242 FEBNSHIANBKWBI-OALUTQOASA-N 388.512 1.970 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncn3C)CC2)c(C)c1 367972209 JRRJCHOBBHUCKT-UHFFFAOYSA-N 390.509 1.754 0 50 GDAA CCOc1ccc(CN2CCN(c3nc(C(N)=O)cs3)C[C@@H]2CCO)cc1 72426964 ALXINNDNKWDNBV-HNNXBMFYSA-N 390.509 1.714 0 50 GDAA Cn1nc(-c2ccco2)cc1NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 241707101 QMPIZMHFNSAPHA-UHFFFAOYSA-N 395.485 1.311 0 50 GDAA Cc1cnccc1NCCNC(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 72171643 SAPYQOCKLUUQMA-IBGZPJMESA-N 387.528 1.689 0 50 GDAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCCNC(=O)c1ccccc1Cl 72462623 LWYMPDQBBLHXOR-INIZCTEOSA-N 378.904 1.260 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccco2)c(OC)c1 72151134 FHSWDGDTUHUSMU-KRWDZBQOSA-N 387.436 1.304 0 50 GDAA Cc1cnccc1N1CCCN(C(=O)Cn2ccc([C@@H]3CCCNC3)n2)CC1 426685481 YFAVJDAFZYCWGH-GOSISDBHSA-N 382.512 1.792 0 50 GDAA CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cc(C)ccc3C)cc2C1 82121919 DUFFJWQEJSIPKO-UHFFFAOYSA-N 376.482 1.731 0 50 GDAA Cc1nc(-c2ncc(C(=O)N3CCC4(CC3)CNC(=O)O4)c(O)n2)cs1 96132862 PHOXPMWSTCUTTG-UHFFFAOYSA-N 375.410 1.329 0 50 GDAA COc1cc(CN2CCOCC2)ccc1OC[C@@H](O)CN1CCSCC1 95520071 XBNAQZJVXAIOKW-KRWDZBQOSA-N 382.526 1.316 0 50 GDAA CC[C@H]1CN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CCN1C 96148652 PPVZOUNASLCGNR-AWEZNQCLSA-N 377.489 1.206 0 50 GDAA CNC(=O)c1c(COC(=O)/C=C/c2ccc(O)cc2)n(O)c2ccccc2[n+]1=O 526055737 AMCRTYLDTRCDGE-UHFFFAOYSA-O 396.379 1.615 0 50 GDAA Cn1ccc(NC(=O)CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 91678481 HFUCOHRWXUTFOS-MRXNPFEDSA-N 389.500 1.242 0 50 GDAA CS(=O)(=O)Cc1cccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 299435343 JKWYPMCYLHYYCU-ZDUSSCGKSA-N 377.509 1.090 0 50 GDAA O=C(O)CN(C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CCOCC1 299747639 DNCYEYFKVWFFGO-NSHDSACASA-N 382.363 1.410 0 50 GDAA NCCOc1cccnc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1940196219 SNZQFPQHPLCZTJ-VQIMIIECSA-N 392.459 1.955 0 50 GDAA COCCOC1CCN(C(=O)c2ccccc2S[C@@H]2CC(=O)NC2=O)CC1 299773043 CBRKZZGABQFFGN-MRXNPFEDSA-N 392.477 1.461 0 50 GDAA O=C1CN(c2ccc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc2)C(=O)N1 828299202 JPVGJTVKBMXEKL-GOSISDBHSA-N 392.459 1.962 0 50 GDAA Cc1nc(CCCNC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)sc1C 584896565 YJZDJTSPEXPLFC-HNNXBMFYSA-N 376.482 1.794 0 50 GDAA CCn1ncc(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1C 952989534 SJVSTFAVJBPBJN-HNNXBMFYSA-N 377.470 1.076 0 50 GDAA CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 408117675 GGGRLQQVGFBPIN-GFCCVEGCSA-N 375.391 1.257 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@]2(C(=O)O)C1 96149375 TYXUYVODTKHANZ-LPHOPBHVSA-N 389.477 1.403 0 50 GDAA C[C@H]1CN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CCN1S(C)(=O)=O 271876601 PNLGGKJNQPIZBH-SJCJKPOMSA-N 395.506 1.108 0 50 GDAA Cn1cnnc1[C@H]1CCCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 277499875 PKZDFFRWZZJIRQ-CYBMUJFWSA-N 397.888 1.919 0 50 GDAA CCCNC(=O)c1cccc(C(=O)NCCCN2C(=O)NC3(CCC3)C2=O)c1 170595161 ATTYFCMPZMAHEM-UHFFFAOYSA-N 386.452 1.421 0 50 GDAA Cn1c(=O)nc(O)c2nc(CCC(=O)OCc3c(F)cccc3Cl)[nH]c21 749409418 JSMHSNSLTLWICF-UHFFFAOYSA-N 380.763 1.831 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616077434 RQWYAOLMWHQXRL-UWJYYQICSA-N 391.475 1.884 0 50 GDAA COc1nc2c(cc1CN1C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C1)C(=O)N(C(C)C)C2 1529099994 LITUAPCMBDXHGB-AUUYWEPGSA-N 399.495 1.521 0 50 GDAA COCC(=O)Nc1cc(C(=O)N[C@@H]2CCOC2)c2c(c1)nc(C1CCC1)n2C 11911547 IBJCIEHBNUCLTN-CYBMUJFWSA-N 386.452 1.944 0 50 GDAA Cc1nc(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)cs1 12446659 QKOADPJKLJGTQB-HNNXBMFYSA-N 384.527 1.863 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cnc(C)cn3)cc2)CC1 12580370 WQPGIUFZOXAEGG-UHFFFAOYSA-N 398.463 1.731 0 50 GDAA CNC(=O)c1nn(C)c2c1C[C@H](NC1CCN(Cc3ccccc3)CC1)CC2 14534394 UVSSHLDWRCSLRR-GOSISDBHSA-N 381.524 1.891 0 50 GDAA CCOCCCN[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CC)C1 14752666 UDQZNRFJTQVEGJ-OAHLLOKOSA-N 380.558 1.966 0 50 GDAA Cc1nonc1OCCNC(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 15068954 PRCRGPFVULEVCM-KRWDZBQOSA-N 386.452 1.744 0 50 GDAA CSCC[C@H]1NC(=O)c2cc(NC(=O)c3n[nH]c4c3CCC4)ccc2NC1=O 206238930 YWVQJDNARUEYPE-OAHLLOKOSA-N 399.476 1.954 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(c4ccnc(O)c4)CC3)CC2=O)s1 1857717144 MUAFACMRDVMOCX-AWEZNQCLSA-N 387.465 1.706 0 50 GDAA Cc1ncccc1C(=O)NC[C@H]1[C@H]2CN(c3nccnc3C)C[C@]23CC[C@H]1O3 1857735176 LKCDGUZNQGMERX-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)c1cc(F)ccc1C 1875241491 SSBPVMWZLXVECE-BMGDILEWSA-N 378.444 1.906 0 50 GDAA CCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)c2csc(-c3ncccn3)n2)[C@H](O)C1 1875249201 LKLCMUPMPWKCOR-OUCADQQQSA-N 389.481 1.338 0 50 GDAA CCn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)C[C@H]2O)n1 1875250531 JVOZCBXBOWEIQT-BMGDILEWSA-N 388.443 1.270 0 50 GDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1 408521020 FSYOYLWBSPBFFS-AWEZNQCLSA-N 379.438 1.689 0 50 GDAA CS(=O)(=O)Cc1noc([C@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 952894681 PHNSKRQFRRMYOD-ZDUSSCGKSA-N 376.360 1.720 0 50 GDAA O=C(O)C(F)(F)C1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 1875305367 BNZGGGOJBJCLNL-UHFFFAOYSA-N 389.420 1.926 0 50 GDAA CC(=O)NCC12CC(C(=O)N[C@H](C)c3cnc(C)s3)(C1)C1(CCNCC1)O2 1875393615 QPRGATVQXWMTQP-RGZNSWCXSA-N 392.525 1.436 0 50 GDAA Cc1cccnc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)F)[nH]n2)C1 2100545190 IXZLOTWLWMEUQL-FIXISWKDSA-N 393.394 1.236 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](C(=O)O)C3)CC2)cc1 2325788218 TUSZZHHWBHUQQP-GJZGRUSLSA-N 380.466 1.329 0 50 GDAA Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CNCCNC1=O 2325808733 GOJKRIMXQKRTLD-CYBMUJFWSA-N 394.884 1.502 0 50 GDAA O=C(CC[C@H]1CCOC1)N[C@H]1CC2(CN(C(=O)c3ccco3)C2)n2ccnc21 2332237647 GAFOIIGRXIMKQO-GJZGRUSLSA-N 384.436 1.705 0 50 GDAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2nc(O)c3cnn(C)c3n2)CC[C@H]1O 2356162057 VSWJSABRHSMEIE-FZKQIMNGSA-N 377.445 1.143 0 50 GDAA CN1CCN(Cc2cccc(OC[C@@H](O)CN3CCC(O)CC3)c2)CC1(C)C 108261312 WWPBCIMLLVKFDL-FQEVSTJZSA-N 391.556 1.409 0 50 GDAA CS(=O)(=O)NCCCNC(=O)N1C[C@H](n2ccnc2)Cc2ccccc21 225646758 VXBRLZCZVWRQIG-OAHLLOKOSA-N 377.470 1.136 0 50 GDAA COc1ccc(CN2CCN(Cc3ccc(CO)o3)C[C@@H]2CCO)c(F)c1 23358425 RDKQQYADWWJBCR-INIZCTEOSA-N 378.444 1.988 0 50 GDAA NCCn1cc(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nn1 67894064 OJZJQAZHRZKUMQ-UHFFFAOYSA-N 380.408 1.039 0 50 GDAA CCN1CCN(C2(C(=O)N(C)Cc3nc(C)c[nH]3)Cc3ccccc3C2)CC1 20785322 RHJVTJVDMOCOJZ-UHFFFAOYSA-N 381.524 1.852 0 50 GDAA COc1ccc(CN2CCN(Cc3cnc(N)nc3)C[C@@H]2CCO)c(C)c1C 20777002 DGCVENWIKBRBMX-IBGZPJMESA-N 385.512 1.753 0 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CN(CC(=O)O)C[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CCO1 263325997 BITQNDUOQSJOBP-LLVKDONJSA-N 391.802 1.545 0 50 GDAA Cn1ccnc1[C@@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@H]1N 1875283595 XEPQPOKNVCBKMQ-UKRRQHHQSA-N 375.839 1.720 0 50 GDAA COc1ccc(F)cc1C(=O)N1C[C@H](CNC(=O)C[C@@H]2CCNC2=O)C[C@@H]1C 1875334871 ITYNZYQFFWNSCB-IHRRRGAJSA-N 391.443 1.327 0 50 GDAA Cc1cc2c(N3CCC[C@H]3C(=O)N3CC[C@@H](c4nn[nH]n4)C3)ncnc2s1 1875340045 JEZDDUJGFVPOGG-YPMHNXCESA-N 384.469 1.498 0 50 GDAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)CNC(=O)NC2CCCCC2)C1 1875395542 DHJBVNGYEMRYFU-HFJWLAOPSA-N 384.546 1.871 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccccc1S(C)(=O)=O 1875314568 GIWAHCBCGZATRX-NEPJUHHUSA-N 377.466 1.776 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CN(Cc3cc(C4CC4)no3)S(C)(=O)=O)O2)n1 888099302 GFOXMMMJISYQDF-DOMZBBRYSA-N 382.442 1.925 0 50 GDAA CCOC(=O)N(CC(=O)OC)C[P@](=O)(O)[C@@H](Cc1ccccc1)C(=O)O 2904942 XBDCTTPHAYFNBJ-ZDUSSCGKSA-N 387.325 1.542 0 50 GDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@@H](c2ccc(F)cn2)C1 2325751212 AAHYVJWATQAKQM-GFCCVEGCSA-N 389.408 1.381 0 50 GDAA COCCN1C(=O)c2ccc(C(=O)OC[C@@H](C)C(C)(F)F)cc2S1(=O)=O 2325788868 NKERPXRBCUKLNL-SNVBAGLBSA-N 391.392 1.926 0 50 GDAA O=C(CSc1ncnc2[nH]cnc12)N1CCN[C@H](Cc2ccc(F)cc2)C1 2325815462 JEJVIMNMWFRPFI-CQSZACIVSA-N 386.456 1.627 0 50 GDAA O=C(c1cc(-c2c[nH]c3ccccc23)[nH]n1)N1CCC(N2CCNCC2=O)CC1 2325822963 ZOKVBHTXAAUELP-UHFFFAOYSA-N 392.463 1.594 0 50 GDAA O=C(CCCC1CC1)N[C@@H]1CC2(CN(C(=O)C[C@H]3CCNC3=O)C2)n2ccnc21 2332237834 OACJUTMZJXBCDB-HZPDHXFCSA-N 399.495 1.088 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC3(CC2)COC(=O)O3)[C@@H](c2ccccc2Cl)N1 2356156485 DOIDRRJTXRXTRL-CABCVRRESA-N 394.811 1.424 0 50 GDAA CC(C)C(=O)N1CCC(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 2356169532 SWKAYVNKRMVWGZ-UHFFFAOYSA-N 384.480 1.487 0 50 GDAA CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[P@@](=O)(O)OC[C@@H]2O1 4557120 PGBAADZFIQHGBW-QXEWZRGKSA-N 383.301 1.368 0 50 GDAA O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCN(C[C@H]2CCOC2)CC1 225835347 KGKYIESXLFPRDD-LLVKDONJSA-N 380.844 1.961 0 50 GDAA CC(C)CN(C)C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 67896495 POXNGRIIZKJYLE-KRWDZBQOSA-N 389.496 1.861 0 50 GDAA CC(C)Oc1cccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 65365295 MSZIXVVRZKLEEG-UHFFFAOYSA-N 383.514 1.450 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CC2 137858131 ZDFJEJSTTCFPJM-MSOLQXFVSA-N 383.496 1.768 0 50 GDAA COc1ccc(N2CCN(C(=O)CSc3nnc(N)s3)CC2=O)cc1 77300931 FPLYQVCJRMBHFO-UHFFFAOYSA-N 379.467 1.096 0 50 GDAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)cc1 72167725 IYPOTDNBVBYOQD-OAHLLOKOSA-N 380.510 1.955 0 50 GDAA CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1nnn(C2CCNCC2)c1C 150712381 CXPSCQIKRQSXJD-MRXNPFEDSA-N 385.468 1.813 0 50 GDAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1C 72117489 SIDUXBDJUOSDMQ-UHFFFAOYSA-N 394.523 1.808 0 50 GDAA CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 367401603 GOOQRADYSMXVOA-SJORKVTESA-N 387.546 1.506 0 50 GDAA CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@@H]1CCS(=O)(=O)C1 171807593 CZDNSVQKDHWEOH-OAHLLOKOSA-N 399.476 1.773 0 50 GDAA CCc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 72475211 JRJPRNJYIMQWPX-KGLIPLIRSA-N 384.523 1.417 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3csc(NC)n3)C2)CC1 72165114 SUSYKQUSIKHRRW-CYBMUJFWSA-N 381.502 1.564 0 50 GDAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71750400 OSVTVROJLIXHJZ-LJQANCHMSA-N 396.539 1.840 0 50 GDAA Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 378388898 KMWNHAPDXGSDIN-GFCCVEGCSA-N 382.342 1.831 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3c3ncc[nH]3)C2=O)n(C)n1 173570923 DOELZIRFFBVNOK-CABCVRRESA-N 385.472 1.884 0 50 GDAA CCOc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(C)c1=O 20190228 NKARPJFHHNPHSE-UHFFFAOYSA-N 382.420 1.749 0 50 GDAA O=C(c1cccnc1)N1CCN(C(=O)c2nn(-c3ccccc3)cc2O)CC1 175530731 NLGYAEHIHYBDHX-UHFFFAOYSA-N 377.404 1.571 0 50 GDAA CS(=O)(=O)C1(C(=O)NCc2cccc(-n3ccc(C(=O)O)n3)c2)CCC1 263510476 CDUFPTDVYUOIFN-UHFFFAOYSA-N 377.422 1.154 0 50 GDAA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(I)cc1 222324340 ATUOLWHTOJYDQL-FJJYHAOUSA-N 397.168 1.097 0 50 GDAA NS(=O)(=O)c1ccc(N2CCOCC2)c(-c2nc(-c3ccoc3)no2)c1 288970490 DRSFDLBVPYVWAW-UHFFFAOYSA-N 376.394 1.481 0 50 GDAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 95528948 RBVSPDIUDXATSQ-INIZCTEOSA-N 381.484 1.897 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1cc3c([nH]c1=O)CCCC3)CC2 92061740 UAPQJLUAZVVTET-UHFFFAOYSA-N 381.480 1.596 0 50 GDAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(=O)nc3sccn23)C1 95525007 SVFCHMRHDPFLEZ-ZDUSSCGKSA-N 387.465 1.619 0 50 GDAA O=C(O)Cn1nc(-c2ccccc2)nc1[C@@H]1CC(=O)N(Cc2cccnc2)C1 97288724 WUKSSRFBCMROCA-MRXNPFEDSA-N 377.404 1.941 0 50 GDAA CC(C)COC(=O)N1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 292570698 SXGIVVBVWIHSNG-INIZCTEOSA-N 377.489 1.742 0 50 GDAA CC(=O)N1C[C@H]2CN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@]2(C(=O)O)C1 97745057 QBXMZENJCMSLAG-UWJYYQICSA-N 385.464 1.682 0 50 GDAA Cn1cc([C@@H](NS(=O)(=O)c2ccc(F)c(F)c2F)[C@H]2C[C@@H](O)C2)cn1 244716206 LKOBGTGZHZUYIH-FLBPPNCPSA-N 375.372 1.628 0 50 GDAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCc2snnc2C)c1 244742036 OAVYLCLPOCYXMM-NSHDSACASA-N 375.483 1.928 0 50 GDAA COc1cn(CC(=O)N2CCC(c3nnc4ccccn34)CC2)c(C)cc1=O 253406749 JEUNSBRKEFRLOP-UHFFFAOYSA-N 381.436 1.614 0 50 GDAA COc1ccccc1[C@@H]1NC(=O)N(CC(=O)N2CCCCC2)C2=C1C(=O)OC2 263615628 DIAGRVNZSFMBRR-SFHVURJKSA-N 385.420 1.585 0 50 GDAA Cc1nc(N2CCC[C@@H](C(=O)NC3CC3)C2)nc2cc(S(C)(=O)=O)ccc12 299758484 LOCGUCICMAELLX-CYBMUJFWSA-N 388.493 1.837 0 50 GDAA Cc1sc2nc(CCNS(=O)(=O)c3cnn(C)c3C)nc(O)c2c1C 828400597 XYOUXJCWLLJLHX-UHFFFAOYSA-N 381.483 1.577 0 50 GDAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)CN(C(=O)C2CCC2)CCO3)n1 827921042 GCDAHDQJQJAHDC-UHFFFAOYSA-N 388.512 1.910 0 50 GDAA O=C(O)[C@@]12CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]1CN(CC1CCC1)C2 1565530506 LREGAECZNSRHQU-PXNSSMCTSA-N 382.468 1.485 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O)c1ccc(-n2cnnc2)cc1 1565515222 UOBFDFNMUGFCOL-OALUTQOASA-N 378.436 1.028 0 50 GDAA C[C@@H](N)[C@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 269193705 RZKXQHBMPNDFSM-UKRRQHHQSA-N 378.498 1.309 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 271312683 ZHSDYRRNFUCBBL-CYBMUJFWSA-N 395.403 1.808 0 50 GDAA Cc1ccccc1C1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 276550158 QDHAQNHXIQJEPY-SFHVURJKSA-N 385.508 1.466 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1Cn1cncn1 191538722 TYVWPHHMCLDRHM-IBGZPJMESA-N 393.422 1.996 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1cccc2ccccc12 1704337047 RIYUEVJUTWYWFW-WMZOPIPTSA-N 376.478 1.405 0 50 GDAA O=C(c1n[nH]c2c1COCC2)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704326413 CMAUYFKTQZYTAM-AUUYWEPGSA-N 378.432 1.706 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@H]1CCCN2CCC[C@@H]12 1772818994 DPWBKZDMPDFCGE-HOTGVXAUSA-N 376.482 1.786 0 50 GDAA O=C(O)CNC(=O)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(CCc2ccccc2)C1 1772814217 OGTOPENEACEUHU-PGRDOPGGSA-N 399.491 1.974 0 50 GDAA O=C(c1ccn(C(F)F)n1)N1C[C@@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772818869 MKCKIYRPSHAYSP-SCLBCKFNSA-N 377.395 1.240 0 50 GDAA Cc1ccccc1[C@@]1(CC(=O)N2CCCCC2)CC(=O)N(CCN(C)C)C1=O 12190856 FZLZRZOBJJBYOL-JOCHJYFZSA-N 385.508 1.956 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2)c1OC 12209548 FJXZHJXWIHAOSM-SFHVURJKSA-N 397.475 1.711 0 50 GDAA O=C(c1cccc2ccccc12)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14732833 DTUZGUUQLVAHNV-SJORKVTESA-N 381.457 1.408 0 50 GDAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)s1 19744552 HYBZZBOJNSWIAV-MRXNPFEDSA-N 379.526 1.634 0 50 GDAA O=C1C[C@H](C(=O)NCc2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 19818987 KNKGSZGZDGJZJP-AWEZNQCLSA-N 381.436 1.502 0 50 GDAA CN(CC(=O)NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 19842234 WTELTMMUAFNLQZ-QGZVFWFLSA-N 383.489 1.030 0 50 GDAA C[C@H](C(=O)NCCNC(=O)CCc1ccccc1)N1C(=O)c2ccccc2C1=O 169839262 ZOBUUMVMNCPWBK-OAHLLOKOSA-N 393.443 1.536 0 50 GDAA CN(C)c1nc2c(c(=N[C@H]3CCOC3)[nH]1)CCC21CCN(Cc2ncc[nH]2)CC1 1857703952 XJJHOPXTXAPWBH-HNNXBMFYSA-N 397.527 1.368 0 50 GDAA O=C(O)CN1CCC2(CC1)OCCc1sc(C(=O)N3CCOCC3)cc12 1857705224 YJTRKJBQXCSUQZ-UHFFFAOYSA-N 380.466 1.169 0 50 GDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(CCc3cccc(C)n3)C[C@]23CC[C@H]1O3 1857737205 AXRFLGVDOLHQHK-MTQWCTHYSA-N 393.553 1.741 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857739177 FFJPTALNRKUQAK-KNQAVFIVSA-N 394.475 1.981 0 50 GDAA O=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H]1O 1875244616 WADUPIFPABUABN-UFYCRDLUSA-N 379.460 1.465 0 50 GDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3c4c(nc5onc(C)c35)CCC4)[C@@H]2C1 1875251130 NIQKJMZYEIUKIN-APHBMKBZSA-N 398.463 1.776 0 50 GDAA CC1(C)CN(C(=O)CNS(=O)(=O)c2cccnc2)C[C@@](C)(C(F)(F)F)O1 452155531 UYNJYNXDQVWTEV-AWEZNQCLSA-N 395.403 1.318 0 50 GDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1csc(N2CCCC2=O)n1 363320918 KIQJBBRIISYUGQ-INIZCTEOSA-N 398.488 1.512 0 50 GDAA Cc1nc(SC(F)(F)F)sc1CC(=O)NN1C(=O)[C@H](C)N(C)C1=O 912818927 KCHRRCVQYPCRKB-LURJTMIESA-N 382.389 1.920 0 50 GDAA CC(=O)N1CC(C(=O)N2CCC3(CC2)C[C@@H](O)c2nn(C(C)C)cc2O3)C1 1875394643 QJPHLFZAPWTQBU-OAHLLOKOSA-N 376.457 1.119 0 50 GDAA 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Cc1cn(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)nn1 2356153882 YKYFGGBSZBSZJS-IIMJZQEZSA-N 380.452 1.035 0 50 GDAA COC[C@@]12COC[C@@H]1CN(C(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2 2356169026 JKRLNGSJCNQQCX-JTSKRJEESA-N 398.459 1.699 0 50 GDAA O=C1N[C@H](c2cccc(O)c2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 101884515 IKZIMWGLKBWNBI-XJKCOSOUSA-N 381.310 1.891 0 50 GDAA CC(C)Oc1ccc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)cc1 65451401 CSXBNKGLOHIZPD-UHFFFAOYSA-N 398.463 1.799 0 50 GDAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67854773 JUJMWMPLKUIATD-AWEZNQCLSA-N 387.392 1.675 0 50 GDAA O=C(Cn1nnnc1CN1CCOCC1)N(Cc1ccccc1)CC1CCC1 20911508 GGEZVFVKJDJJEK-UHFFFAOYSA-N 384.484 1.334 0 50 GDAA C[C@]1(c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2)NC(=O)NC1=O 363131178 HLORCXWGSXNMGR-HNAYVOBHSA-N 383.408 1.369 0 50 GDAA CC(C)OCCCNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712118 OEQUJDVTEBGPBT-MRXNPFEDSA-N 377.485 1.907 0 50 GDAA COc1cccc(C)c1C(=O)N1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77486059 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CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3Cl)no2)CC1 41153995 RJQUCKZPBJWMAG-UHFFFAOYSA-N 398.872 1.678 0 50 GDAA Cc1ccc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1C 82098575 HQTYQVOADQGKIJ-JOCHJYFZSA-N 377.444 1.919 0 50 GDAA COc1ccc(Cn2nccc2NC(=O)N2CCOCC2)c(OC)c1OC 95526311 VQOISMUDNJRMNJ-UHFFFAOYSA-N 376.413 1.821 0 50 GDAA COCCN(C)CC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91518762 MGWWJMNWHPYOJR-UHFFFAOYSA-N 388.512 1.391 0 50 GDAA CC(C)c1nc(CNC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)no1 426388236 XQMHTHWUYQVSQS-UHFFFAOYSA-N 386.456 1.826 0 50 GDAA Cc1cc(C)nc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)n1 95524799 HSBNAJZWRHQVKI-UHFFFAOYSA-N 378.458 1.633 0 50 GDAA CCCn1ncnc1[C@H](C)NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 96138998 OMPAYMCIJXNSEM-VIFPVBQESA-N 386.865 1.872 0 50 GDAA CCn1nc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 95380298 JOGCJHARJWDILH-CYBMUJFWSA-N 376.457 1.564 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)NCCc3cc(=O)[nH]c(C)n3)CC2)c1 95359906 QWWJSCADKXOXJO-UHFFFAOYSA-N 383.496 1.258 0 50 GDAA 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CN(C)c1nc(OC2=NN[C@@H](OCCOc3ccccc3)C=C2)nc(N(C)C)n1 4844904 LETKRCNMCSTVPZ-HNNXBMFYSA-N 399.455 1.277 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCOCC1 8560585 SQONWCGAMBHESM-UHFFFAOYSA-N 382.482 1.588 0 50 GDAA COC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 414351873 SJLAVEPMAOFYBO-NSHDSACASA-N 377.846 1.993 0 50 GDAA CN1CCC(O)(CNc2ccc(C(=O)NCCCc3ccccn3)cn2)CC1 67514557 FGNNVKRUGKPIDP-UHFFFAOYSA-N 383.496 1.708 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCC3CCOCC3)C2=O)c1 67757286 UHAPBLWUJMLCLB-HXUWFJFHSA-N 380.460 1.704 0 50 GDAA COc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)ccc1F 219383172 PXTUHWVEODBOIV-KRWDZBQOSA-N 376.432 1.672 0 50 GDAA COc1ccc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 77485515 RIDWYQFJYIJQCC-SJORKVTESA-N 396.509 1.283 0 50 GDAA CN1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncn2)CC1 72436963 DGFAVLYFHFWVQS-UHFFFAOYSA-N 384.459 1.330 0 50 GDAA O=C(NCC1(CO)CCOCC1)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 363857236 ZCTBSYNQOOTBFL-SLFFLAALSA-N 387.524 1.985 0 50 GDAA Cc1cc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)n2ncnc2n1 30591245 QMMBLTXWNCIWEE-UHFFFAOYSA-N 377.452 1.144 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccc1F 126438027 YVASOVRQIOAOGA-LJQANCHMSA-N 396.426 1.949 0 50 GDAA CCc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77407246 GDQOICFXJINLTG-SJORKVTESA-N 378.494 1.355 0 50 GDAA COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@H]3CC34CCNCC4)C2=O)c1 261951703 PXPMYLLIVWZZAI-MSOLQXFVSA-N 387.480 1.657 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccoc1)CC2 77439081 AMEVFXDLBVSQAJ-ZDUSSCGKSA-N 378.450 1.527 0 50 GDAA COc1cc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)cc(OC)c1 82134661 ZRLZBDVITOLJNX-SFHVURJKSA-N 376.453 1.991 0 50 GDAA O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1Cc2ccccc2CN1 178125831 YQZSLFLKHFULOK-HNNXBMFYSA-N 387.452 1.082 0 50 GDAA CCOc1ccccc1CN1CCn2nc([C@H](O)CS(C)(=O)=O)cc2C1 220268625 OIOGUKDUACVNKL-QGZVFWFLSA-N 379.482 1.376 0 50 GDAA CCCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cn1 20614317 ISCWBHALMCHPAD-UHFFFAOYSA-N 376.280 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399.451 1.352 0 50 GDAA C[C@@H](Cn1ccnc1)NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 298905322 BSKAUZQZDAJGKQ-INIZCTEOSA-N 394.479 1.849 0 50 GDAA COc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cn(C)nc1C 252460697 HMURRMUZKRDPMN-JLZZUVOBSA-N 381.440 1.987 0 50 GDAA CCn1ncnc1[C@@H](C)NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 534577258 NYEDJKKGXBNYIV-CQSZACIVSA-N 386.456 1.615 0 50 GDAA CN(C)c1ccnc(-c2ccc(C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)cc2)n1 534675374 YRFVSQWPTLUACW-FZDBZEDMSA-N 382.464 1.413 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 824596678 JJVPCOFTPMIANT-SFHVURJKSA-N 395.423 1.078 0 50 GDAA Cc1nc(CC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cs1 827855273 QIRGZIFIUHEKAM-UHFFFAOYSA-N 375.450 1.870 0 50 GDAA C[C@H](CN(C)C(=O)C(=O)N1CCC(O)(C(F)(F)F)CC1)C(=O)OC(C)(C)C 1326939998 XBYJDOHTAHGVTK-LLVKDONJSA-N 396.406 1.338 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1O)c1cnccn1 1565512478 XAWFLRHNMVCWIQ-HKUYNNGSSA-N 381.411 1.529 0 50 GDAA 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NZEQKBYOBCOPII-NOLJZWGESA-N 375.448 1.824 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 328635955 VFKLTNGHZKKNRJ-UONOGXRCSA-N 383.474 1.344 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccn1)CCN2CCCc1ccccc1 247289569 ANPRAXVXAHRYAM-RTWAWAEBSA-N 385.533 1.998 0 50 GDAA COC[C@]1(C(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)CCNC1 952894104 LYDZQXNYMRWIIF-FQEVSTJZSA-N 384.484 1.209 0 50 GDAA COC(=O)c1sc(N2CCN(C(=O)[C@@H]3C[C@H]4CNC[C@H]3C4)CC2)nc1C 1875292983 YXZCGMSBHQPCHK-BFHYXJOUSA-N 378.498 1.132 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](N[C@@H](C)c3ccccc3-n3ccnn3)C2)cc[nH]1 1875399985 ODPYNCHWEDCUTF-LESCRADOSA-N 394.483 1.075 0 50 GDAA CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)Nc3ccc(OCCC(C)C)nn3)C[C@H]12 888102128 DGSQXNQHDBUCAO-MGPQQGTHSA-N 398.485 1.177 0 50 GDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 645834 NPTNEWLDOSLYPI-UHFFFAOYSA-N 384.388 1.905 0 50 GDAA O=C(NCCN1CCCCC1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356135683 OMUZILUGSQZKIV-CDMIOBSGSA-N 382.508 1.920 0 50 GDAA NC(=O)c1noc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)n1 2356149042 GXKGXLPLWUGNNE-FQEVSTJZSA-N 383.452 1.368 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)cc1 2356167417 ONBXMLCVELDCST-LJQANCHMSA-N 393.509 1.602 0 50 GDAA COCCn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233481 VIRZDLWYCSUWBG-CQSZACIVSA-N 381.436 1.714 0 50 GDAA CCc1cc2c(N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)ncnc2s1 225435276 SREHYIRGHOWBFV-UHFFFAOYSA-N 378.483 1.488 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1OC 20051545 SRGPDLWHKJLMMV-GOSISDBHSA-N 388.468 1.114 0 50 GDAA CSC1(CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCN(C)CC1 460975644 BJNJSKNDOVGUBJ-UHFFFAOYSA-N 387.509 1.528 0 50 GDAA Cn1nc(C2CCN(C(=O)c3ccncn3)CC2)n(Cc2ccccc2)c1=O 67674560 RRPRLKLAKNIARC-UHFFFAOYSA-N 378.436 1.440 0 50 GDAA O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 137116000 WWKRZCOIPRZPFS-UHFFFAOYSA-N 384.371 1.489 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(CCc3ccccc3Cl)C2=O)nn1 328612782 PWDKOLMQGWWFGS-OAHLLOKOSA-N 377.832 1.488 0 50 GDAA COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 72446928 HCLIVQBSYVJGGJ-ZBFHGGJFSA-N 383.514 1.699 0 50 GDAA NC(=O)c1nccnc1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 367965601 UOFDNFNVUQUNDI-ZDUSSCGKSA-N 377.408 1.380 0 50 GDAA Cc1ccc2cccc(OCCNC(=O)c3cn(C[C@H]4CCCNC4)nn3)c2n1 216438470 FUCSPWFTSXMXEF-INIZCTEOSA-N 394.479 1.943 0 50 GDAA COc1cccc([C@H]2CN(Cc3cn[nH]c3C(=O)O)C[C@@H]2C(=O)O)c1OC 219318020 UVTCNELFTLDVPY-OLZOCXBDSA-N 375.381 1.425 0 50 GDAA Cn1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cccc1=O 157992087 GRKOHKDDGYZLRH-KRWDZBQOSA-N 375.856 1.842 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C)nc3)CC2)C1 71767537 MQNMWYGGOAKLPM-GOSISDBHSA-N 388.512 1.469 0 50 GDAA Cc1c(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)nnn1C1CCNCC1 237464454 YHDKWWJYPIGSHQ-OAHLLOKOSA-N 383.500 1.425 0 50 GDAA Cc1cccc(-n2nc(Cc3ccccc3)n(CC(=O)NC[C@H](C)O)c2=O)c1 77376005 FODHTKUHPRJVRQ-INIZCTEOSA-N 380.448 1.430 0 50 GDAA OCCNc1nc([C@H]2CCOC2)cc(N2CCCN(C3CCCC3)CC2)n1 426705693 MOAKQZMKELQNKL-INIZCTEOSA-N 375.517 1.839 0 50 GDAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20168656 WFHTYVWFTXCSCR-SFHVURJKSA-N 398.507 1.745 0 50 GDAA COc1c(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)nn1C 292913559 HLUGQCFATZXXCN-GFCCVEGCSA-N 398.510 1.382 0 50 GDAA Nc1nc(O)cc(N2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)n1 426398996 IHWVJCICZXOHKO-UHFFFAOYSA-N 381.358 1.675 0 50 GDAA CN(C)[C@H](C(=O)N1CCC(O)(c2cccnc2)CC1)c1ccc2c(c1)OCO2 426527023 SNFQIGHRNBNMPZ-IBGZPJMESA-N 383.448 1.923 0 50 GDAA O=[S@]1c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ccccc21 21992967 FXJNLPUSSHEDON-NDEPHWFRSA-N 399.516 1.872 0 50 GDAA biogenic,in-vitro COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 95358390 BKXHXRRZWWHZSM-DOTOQJQBSA-N 380.448 1.791 0 50 GDAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@H]2C(=O)O)c1 299327529 AZGFLMSQXWFSBL-NSHDSACASA-N 391.243 1.176 0 50 GDAA C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 181774277 QCCBPQYGJLNAFM-ZWNOBZJWSA-N 386.374 1.369 0 50 GDAA COc1nccnc1N1CCC[C@@H](CNC(=O)c2ccccc2-n2cncn2)C1 952962643 DZHFYJMLAMVQSK-HNNXBMFYSA-N 393.451 1.712 0 50 GDAA CCc1nccn1CCC(=O)NC[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 952969030 RCVXXSOPVILMTN-INIZCTEOSA-N 397.545 1.004 0 50 GDAA O=C(NCc1nc(-c2ccccc2Cl)no1)NC[C@@H]1CCS(=O)(=O)C1 952981967 KVTJTJBNHZRPKP-JTQLQIEISA-N 384.845 1.624 0 50 GDAA O=C1O[C@H]2CN(CCOc3ccccc3)C[C@H]2N1CCCN1CCOCC1 1565526791 ZAUZSAQECDBVKB-MOPGFXCFSA-N 375.469 1.293 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2F)CN1C1CCOCC1 97514286 WSNDEDAYHLQNEA-YJBOKZPZSA-N 377.460 1.242 0 50 GDAA Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C2=O)cc1 194599687 IETFWTDTZPWAEY-CABCVRRESA-N 399.413 1.915 0 50 GDAA NC(=O)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c(F)c1 746011143 FRIRIRJIWRNPLQ-OAHLLOKOSA-N 387.346 1.122 0 50 GDAA O=C(NC[C@@H](O)c1cccnc1)c1cc(Cn2cc(Br)cn2)on1 752130709 GDTYREJLLIEFOR-CQSZACIVSA-N 392.213 1.540 0 50 GDAA CN(C)CCc1nnc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)s1 1506400216 BUGNQNCXIYSEON-UHFFFAOYSA-N 388.497 1.528 0 50 GDAA COc1cc(Cl)c(CN2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)cc1OC 207930110 NWRZULKPDPHUOR-IRXDYDNUSA-N 383.920 1.540 0 50 GDAA COc1ccc(NC(=O)c2cccnc2N2CC[C@@H](O)[C@@H](CO)C2)c(OC)c1 1529166852 AEVMQJHNPUNZIB-CXAGYDPISA-N 387.436 1.531 0 50 GDAA O=C(c1cnccn1)N1C[C@H]2CN(CCOc3ccc(F)cc3)C[C@]2(CO)C1 1772708109 BITVUHWDIAISAH-FOIQADDNSA-N 386.427 1.061 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)c(OC)c1 11957772 OMQOGKCWFFZBRA-GOSISDBHSA-N 389.496 1.843 0 50 GDAA COc1ccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)cc1 14755453 XJBRQYIGIJGCBF-VQTJNVASSA-N 395.459 1.155 0 50 GDAA O=C(CCn1cccn1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 14969519 SOEQILVWFWLLOR-CQSZACIVSA-N 382.511 1.552 0 50 GDAA CCOC(=O)N1CCC(N2CCC[C@H](N3CCN(C(=O)OCC)CC3)C2)CC1 19228694 KPNIPIYLZSPUNF-SFHVURJKSA-N 396.532 1.846 0 50 GDAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(OCc2ccccc2F)cc1 1857666643 SOCDNQXPYNYOEP-OTWHNJEPSA-N 375.396 1.645 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1nc2ncccc2o1 1857679501 WYJLNEFHKYFJBE-INIZCTEOSA-N 393.447 1.538 0 50 GDAA CC[C@@]1(C(=O)N2CCCN(C)CC2)C[C@@H]2CC[C@H]1N2C(=O)c1nsnc1C 1857679525 XZYHBCDMPKRILI-QMTMVMCOSA-N 391.541 1.784 0 50 GDAA O=C(NCc1cn2ccccc2n1)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857685053 BCVJVZFHGLKXAQ-AVRDEDQJSA-N 397.523 1.716 0 50 GDAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCc3noc(C4CC4)n3)CC2=O)s1 1857719547 OFNLWEKADLCDOY-NSHDSACASA-N 390.469 1.634 0 50 GDAA CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(F)c(F)c3)[C@H]3CC[C@]2(C1)O3 1857725009 ITGZEJQEKGWPKV-HAELCTKSSA-N 379.407 1.904 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857736637 URJHFKVIBSJONP-ICSRJNTNSA-N 397.479 1.208 0 50 GDAA COCCOCCOCCS(=O)(=O)Nc1ccccc1Br 328590005 UVJZTLXLRLEENY-UHFFFAOYSA-N 382.276 1.870 0 50 GDAA Cc1nnc([C@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCO2)o1 328612088 NWZHJJYZGAALQP-MRXNPFEDSA-N 389.437 1.385 0 50 GDAA CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1sccc1Cl)C2 451528944 CMBQDIFRCVXTED-RYUDHWBXSA-N 391.946 1.763 0 50 GDAA O=C(CCC(=O)N1CCC[C@H]1CN1CCOCC1)N1CCC(c2ccccc2)=N1 266326889 JKOQOWXYWWMVMJ-IBGZPJMESA-N 398.507 1.726 0 50 GDAA CN(C)c1nc2cc(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)ccc2o1 952845382 GMBUUZKYPPOHDF-AWEZNQCLSA-N 386.374 1.887 0 50 GDAA COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1875256748 ABACWBQRHHUOFI-CQSZACIVSA-N 380.466 1.307 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)ccc21 1875372126 XIZZBIUPCWRUKR-GJZGRUSLSA-N 386.448 1.944 0 50 GDAA Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc4c(c3)CCC4)C2)c(=N)[nH]1 1875329554 CLLKPNMTBKZCJQ-SUMWQHHRSA-N 381.480 1.650 0 50 GDAA O=C(c1cnn2ccncc12)N1C[C@H]2CN(C(=O)C3(F)CC4(CCC4)C3)C[C@H]2C1 1875309600 DOJIRZJVOFNWQD-GASCZTMLSA-N 397.454 1.932 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccccn2)CC1 888103472 JGCXZWAVYYRIKT-RBUKOAKNSA-N 385.512 1.697 0 50 GDAA CCOCCOCC(=O)N[C@H]1[C@@H]2CN(c3ncnc4sc(C)c(C)c34)C[C@@H]21 1775998143 TUGXXFAKSIRALK-HALDLXJZSA-N 390.509 1.912 0 50 GDAA C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc2c(c1)NC(=O)CO2 2325723205 LCIUUDSIGFWEMF-LLVKDONJSA-N 386.433 1.690 0 50 GDAA CCC[C@@](C)(CC)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 2325793202 KNRHFWNJBOPAPW-MAUKXSAKSA-N 399.557 1.346 0 50 GDAA O=C(N[C@@H]1CCCNC1)c1ccc(=NCc2cc3ccccc3nc2O)[nH]n1 2325859886 OKRVLLMUIXDSLC-OAHLLOKOSA-N 378.436 1.246 0 50 GDAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1 1186016 PPEPDQUKTNLJAT-UHFFFAOYSA-N 388.489 1.779 0 50 GDAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356157416 JYNSBPKCFDGANY-FQEVSTJZSA-N 383.452 1.627 0 50 GDAA Cc1nc([C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n(CCc2cnc[nH]2)n1 2356161209 KSVVYJKJHGHOJF-MOPGFXCFSA-N 393.451 1.751 0 50 GDAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccco2)CC1 6701520 BAJNWCXLTMIVSB-UHFFFAOYSA-N 381.388 1.250 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCN(C(=O)c2ccoc2)CC1 55373168 MJSODMYCRIYFLO-UHFFFAOYSA-N 396.451 1.641 0 50 GDAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 55327634 HAGMJDABTLYMIR-INIZCTEOSA-N 383.439 1.587 0 50 GDAA C[C@H](c1cccnc1)N(C)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67540212 BLAZSXBXELIUPV-SNVBAGLBSA-N 381.479 1.869 0 50 GDAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 247988098 LDDHTCHFXZCMLD-AGIUHOORSA-N 386.543 1.504 0 50 GDAA O=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cnccn1 67833388 PIJXNAHEHNKUPP-NRFANRHFSA-N 379.464 1.900 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@H](c3nc4c5ccccc5ncn4n3)C2)cn1 2807979 JVJDJACPDXHLJU-ZDUSSCGKSA-N 397.464 1.579 0 50 GDAA O=C(O)c1cc(-c2ccccc2CO)cc(S(=O)(=O)N2CCOCC2)c1 71750138 MCOAFZRUWYQINK-UHFFFAOYSA-N 377.418 1.565 0 50 GDAA O=C(CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)NC1CCCCC1 363272819 KDEKIXVRWINBAS-KRWDZBQOSA-N 387.480 1.952 0 50 GDAA CN(C)C[C@]1(O)CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1 72120953 KSKBNFXNOHLFPD-IBGZPJMESA-N 378.448 1.524 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnccc3C)CC2)C1 71712236 XKKMASPXKXTDMZ-QGZVFWFLSA-N 388.512 1.469 0 50 GDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 366330204 NBGADVNRVSPCBN-AAEUAGOBSA-N 393.465 1.020 0 50 GDAA CCc1nc(-c2ccccc2NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n[nH]1 366739075 MPQKGQDVQDTVHS-UHFFFAOYSA-N 398.448 1.470 0 50 GDAA CCc1nc(CN(C)S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)no1 215911988 RSNZPRAUJQJKPX-UHFFFAOYSA-N 378.454 1.689 0 50 GDAA CCNC(=O)N1CCc2ccc(S(=O)(=O)NCCCn3ccnc3)cc2C1 77391269 BVLKRJYJUQJKEA-UHFFFAOYSA-N 391.497 1.339 0 50 GDAA O=C(c1n[nH]c2ccccc12)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 286133283 PAFWRRLVRYPNNA-LBPRGKRZSA-N 380.330 1.930 0 50 GDAA O=C1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)CCN1CC(F)(F)F 286697555 JWOWGOKNTTWFJP-UHFFFAOYSA-N 388.321 1.202 0 50 GDAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc2nc[nH]c2c1 426550087 UGKSRJHSLSMSMM-UHFFFAOYSA-N 384.417 1.414 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CCCn4nc(CCC(=O)O)cc4C3)cc2n1 95375271 DNKGCNLUOLFMDS-UHFFFAOYSA-N 382.424 1.606 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1ccccc1-n1cccn1)CC2 95371741 RDQKVEOOABLKQI-HNNXBMFYSA-N 382.420 1.410 0 50 GDAA Cc1cccc2[nH]c(C3CCN(C(=O)C[C@H]4C(=O)N(C)C(=O)N4C)CC3)nc12 91585959 BPXXWXVDXDZZQW-HNNXBMFYSA-N 383.452 1.860 0 50 GDAA CN1CCC(Cc2nc(-c3ccncc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 91986218 WFFAGPAGIFOGHH-MRXNPFEDSA-N 375.498 1.584 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2ccccc2-c2nnco2)C1 95509735 QAOLXQAJAPWASU-GFCCVEGCSA-N 379.442 1.530 0 50 GDAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)cn1 95513340 FWZKOEBXPWKKBQ-INIZCTEOSA-N 393.407 1.309 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(CC)c1C)CC2 95510286 CMQHMXULHZIGEQ-UHFFFAOYSA-N 384.484 1.861 0 50 GDAA Cc1c[nH]c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)n1 91593978 XWMNOWFRYDLDQM-UHFFFAOYSA-N 382.468 1.758 0 50 GDAA COc1cc2c(cc1C(=O)N1CCC3(CC1)[C@H](C(=O)O)CC(=O)N3C)CCC2 95384039 FDMSWDWMRTYZJD-INIZCTEOSA-N 386.448 1.722 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCO[C@H](C(=O)O)C3)CCCC2)c1 299742011 AQSRGIXFRRYOPB-HNNXBMFYSA-N 395.477 1.702 0 50 GDAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3cn(-c4ccccc4)nn3)C2)n1C 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O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCCNCC3)nc2)CC1 67847656 YTQUZGRYCHPYTF-UHFFFAOYSA-N 385.512 1.356 0 50 GDAA Cc1ccccc1[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)NC(N)=O 119745117 ABMNYFSLAYXMPR-KRWDZBQOSA-N 378.436 1.992 0 50 GDAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3ccnc(-n4cnnc4)c3)C2)c1 72157132 KWVXQCJFSCCKQG-HNNXBMFYSA-N 376.420 1.466 0 50 GDAA O=c1cc(N2CCC2)cnn1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 328604797 LBAMPVOTSPUCNA-CYBMUJFWSA-N 380.495 1.541 0 50 GDAA COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1N1CCCCS1(=O)=O 218431851 MTWSEENYUKPWQB-UHFFFAOYSA-N 379.438 1.310 0 50 GDAA Cc1nc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cn1C 329521238 FSCFTUZZPWUIKP-AWEZNQCLSA-N 389.437 1.541 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O 77505020 FZOBZRRQDYOVTR-UGNRZPKXSA-N 386.496 1.895 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)Cc3ccn(C)c3)CC2)C1 71747896 WXHHNPDUPQUXPG-GOSISDBHSA-N 390.528 1.033 0 50 GDAA O=C(O)CCCOc1ccc(CNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1 374174352 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391.497 1.901 0 50 GDAA Cc1cc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)c(F)cc1F 275287431 LGMJRMWZYRZZIL-INIZCTEOSA-N 385.392 1.816 0 50 GDAA Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(F)(F)F)cn1 278891913 PSKNPYDBZROSNX-GFCCVEGCSA-N 390.343 1.447 0 50 GDAA Cc1ccn(CC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c(=O)c1 194777638 PVGIDKYJVROTKI-HXUWFJFHSA-N 383.492 1.719 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)OCC(=O)N2C2CC2)cc1 1529168436 DDRADWIRBXEPDS-UXHICEINSA-N 381.432 1.838 0 50 GDAA CN1C[C@@H](C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3O)CC2)CC1=O 1529145183 CFVHBGHFTXKCSK-LBPRGKRZSA-N 379.844 1.198 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5s4)C[C@@]3(CO)C2)nn1C 1800410390 SMZYGMMBBKXUCX-VBKZILBWSA-N 397.504 1.909 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4ccncc4)no3)C[C@H]2O)on1 1704352734 ICFLSEASDSLBIK-NVXWUHKLSA-N 397.435 1.813 0 50 GDAA CN(C)C[C@]12CN(C(=O)CC3=CCCC3)C[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1772707289 XJBZKYRPJQTIHI-XMSQKQJNSA-N 398.507 1.750 0 50 GDAA 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O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1 6817810 RPVSVTXJRLQCCC-UHFFFAOYSA-N 388.858 1.465 0 50 GDAA NC(=O)[C@H]1CN(Cc2c(Br)cncc2Br)CCO1 225420238 HZWHSQKIJMNMHX-SNVBAGLBSA-N 379.052 1.293 0 50 GDAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2OC)n1CCOC 55370893 NZTRJUPRQWEXEL-UHFFFAOYSA-N 381.498 1.964 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1ccncc1 96300378 VCISRVUWCPMTQT-FHHGHWCOSA-N 394.475 1.610 0 50 GDAA Cc1ccc(-c2nc(CNC(=O)Cn3nnnc3N)[nH]c2-c2ccccn2)cc1 67773039 MMYTYUVRVDPELA-UHFFFAOYSA-N 389.423 1.332 0 50 GDAA Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c(C)c1Cl 65456751 KBUBPXSZQXOVCS-CQSZACIVSA-N 375.860 1.713 0 50 GDAA O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)N1CCc2ccccc21 328590083 UBVFMPYCUVVTLG-UHFFFAOYSA-N 379.460 1.724 0 50 GDAA Cc1csc(C(=O)N2CC[C@](C)(C(N)=O)C2)c1I 280099649 PEEVDGARFKBCOU-LBPRGKRZSA-N 378.235 1.999 0 50 GDAA CC(C)[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1nc(C2CC2)no1 153131603 CQTZHUFJJYUEDG-JSGCOSHPSA-N 381.458 1.781 0 50 GDAA Cn1ccnc1[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)C1 363166075 NGAAOJDIEVNPFH-GFCCVEGCSA-N 378.379 1.767 0 50 GDAA C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)N1CCN(C)CC1 363117970 OYHIGKAYCRJZDI-UYAOXDASSA-N 386.540 1.220 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CCN1C(=O)CN=C1O)CC2 329131537 AGRHAQZKDQYDJN-MRXNPFEDSA-N 390.509 1.707 0 50 GDAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCOC[C@@H]1c1ncnn1C 329156918 CWOUSMLOUFBIOW-QWHCGFSZSA-N 377.470 1.688 0 50 GDAA O=C(CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1)NOCc1ccccc1 367802906 QBGGZQXPFZLLEL-SFHVURJKSA-N 394.431 1.387 0 50 GDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)CC1 367889362 ZKSXBGIVBYTPJF-FQEVSTJZSA-N 389.544 1.182 0 50 GDAA CCn1ccnc1CN1CCO[C@]2(COCCN(C(=O)c3ccccc3)C2)C1 72172707 RVOXKGFTJJMQIL-OAQYLSRUSA-N 384.480 1.647 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71415862 HNKJOSONABKVKZ-CYBMUJFWSA-N 381.281 1.962 0 50 GDAA COc1c[nH]c(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1=O 71776336 HVHHRTDLARUVHJ-HNNXBMFYSA-N 388.512 1.339 0 50 GDAA CNC(=O)CN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71721420 LXIYXIRCSSXGJQ-JOCHJYFZSA-N 379.460 1.738 0 50 GDAA Cc1c(CN(C)c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)cnn1C 72426415 QOVVNFRDAMFSPH-CYBMUJFWSA-N 378.502 1.025 0 50 GDAA CCOc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1C 222925220 HLMCARVOQKORMC-LEHRNKBSSA-N 379.482 1.918 0 50 GDAA CCOC(=O)C[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 136252234 UYRRVHLYOSMYOX-SZMVWBNQSA-N 390.480 1.995 0 50 GDAA OC[C@@]1(Cc2ccc(F)cc2)CCN(Cc2nnnn2CC2CCOCC2)C1 288823508 NHKHQIYIBILOPY-HXUWFJFHSA-N 389.475 1.666 0 50 GDAA CCn1cnnc1CN(C)C(=O)c1ccc(-c2ncccc2C(=O)NC)cc1 426465037 ARDAEGZMDZFVGX-UHFFFAOYSA-N 378.436 1.992 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)CCc3cnn(C)c3)C2)CCC1=O 95508559 HUUYZSGJPIRPHY-HXUWFJFHSA-N 375.517 1.146 0 50 GDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSc1cccc(OC)c1)C2 91656552 IZOCBQOOWBVFLQ-LSDHHAIUSA-N 378.494 1.883 0 50 GDAA C[C@H]1CN(C[C@@H]2CN(C(=O)CN(C)c3ccccc3)C[C@@H]2CO)C[C@@H](C)O1 91818761 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Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)cs1 55368721 RVHMVWRGPALFKC-INIZCTEOSA-N 394.447 1.737 0 50 GDAA COc1ccc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1C(=O)O 299763290 ZPKJFIYDXVDLLU-FORWCCJISA-N 377.437 1.382 0 50 GDAA CNC(=O)CN1CCN(C(=O)c2cccc(-c3ccc(N(C)C)cc3)c2)CC1 299795451 LQFCSFKUUGWFCK-UHFFFAOYSA-N 380.492 1.923 0 50 GDAA COCCNC(=O)c1cccc(NC(=O)N(C)CCc2noc(C)n2)c1C 299785319 XXSVJTJCVZMNLG-UHFFFAOYSA-N 375.429 1.769 0 50 GDAA Fc1ccc(CN2CCOC3(CCN(CCn4cnnc4)CC3)C2)cc1F 952870266 VBFKIIVZWNXOTP-UHFFFAOYSA-N 377.439 1.923 0 50 GDAA CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 408109125 XLHJNKCZTTZYDY-GNXUOLQESA-N 384.523 1.698 0 50 GDAA O=c1oc2ccccc2n1CCN1C[C@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772811434 WCZCDWYHNQIUQH-HTAPYJJXSA-N 394.475 1.416 0 50 GDAA CCn1nc(C)c(CN2C[C@H]3CN(Cc4ccns4)C[C@@]3(CO)C2)c1C 1772701381 LUWZALMGWYREGI-APWZRJJASA-N 375.542 1.903 0 50 GDAA CN1[C@H](C(=O)N2CCc3ccccc3C2)C[C@H](c2cccs2)NS1(=O)=O 12159684 MRVHOUCVESSMKP-CVEARBPZSA-N 391.518 1.913 0 50 GDAA CCN(CC)C(=O)c1ccc([C@H]2CCCN2C(=O)CCn2cnnn2)s1 19732003 QUNSMHGSJKMOCG-CYBMUJFWSA-N 376.486 1.970 0 50 GDAA CCN(CCc1ccccc1)C(=O)[C@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1857527773 CUNMHWCIQVOUMW-GOSISDBHSA-N 390.509 1.370 0 50 GDAA COc1cc(NC2CCN(C(=O)[C@@H]3NCCc4c3cnn4C)CC2)cc(OC)c1 1857527913 FISGQAGMFPRDRT-HXUWFJFHSA-N 399.495 1.727 0 50 GDAA O=C(Cc1ccc(O)cc1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857712079 QQBJTLKFWXDASB-GJZGRUSLSA-N 388.445 1.275 0 50 GDAA Cc1cnc(C(=O)NC[C@H]2[C@H]3CN(Cc4cnsc4)C[C@]34CC[C@H]2O4)cn1 1857735023 DBGWDKHUPUQMLN-BUIAKZPTSA-N 385.493 1.651 0 50 GDAA O=C(CCn1cnnc1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 220131538 OUMMHHHNVACWAU-AEFFLSMTSA-N 382.468 1.145 0 50 GDAA COc1ccc(C(=O)NCCN2CCN([C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1 252477107 IHVYHUJNCVBIOA-XUVXKRRUSA-N 387.524 1.856 0 50 GDAA CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 363953923 RKJBNZDJSRLCNP-HKUYNNGSSA-N 389.471 1.734 0 50 GDAA C[C@@]1(C[C@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C2CC2)NC(=O)NC1=O 1875311390 XPWDGLKGHJNZKK-HWPZZCPQSA-N 399.373 1.830 0 50 GDAA CCc1cc(C(=O)N2CC[C@@H](N=c3nc(O)c4cnn(C)c4[nH]3)C[C@@H]2C)no1 1875303841 PQBMGZYWCDSJTQ-WDEREUQCSA-N 385.428 1.146 0 50 GDAA O=C(NCC[C@@H]1CCC(F)(F)C1)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 893565381 NGCDKDUOGGCRKO-YYFQZIEXSA-N 381.423 1.918 0 50 GDAA COCc1cc(N2CCC3(CC2)CN(C(=O)c2ncoc2C)CCO3)ncn1 1775990057 CGHWAIJWCUYZCX-UHFFFAOYSA-N 387.440 1.431 0 50 GDAA NC(=O)Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)n(CCc2ccccc2)n1 2100483649 GEBBGWXZFXYHBO-GOSISDBHSA-N 397.523 1.907 0 50 GDAA O=C(C[C@H]1CN(C(=O)Cc2cccs2)C2(CCC2)CO1)NCC1=NOCC1 2325785269 NCYRXUUFCMNCSI-HNNXBMFYSA-N 391.493 1.723 0 50 GDAA Cc1c(C(=O)NCCCNC(=O)c2cccs2)sc2nnc(S)n12 2325810881 MARFBAHRGLVNQS-UHFFFAOYSA-N 381.508 1.999 0 50 GDAA O=C(CCC(=O)c1cccs1)NC[C@H](O)CNC(=O)Cc1ccccc1F 2325826121 PSECJTVIPLRPEZ-AWEZNQCLSA-N 392.452 1.686 0 50 GDAA COC(=O)[C@@H](Cc1ccc(O)c(F)c1)NC(=O)c1cn([C@@H]2CCOC2)cn1 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O=C(CN1CCC(n2nccc2NC(=O)C2CC2)CC1)NC[C@H]1CCCO1 67643174 VZYLAWDSGVKYGH-MRXNPFEDSA-N 375.473 1.164 0 50 GDAA Cc1cc(C)c(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c(-n2cccn2)c1 20540272 RKWPDEYWBPPQDH-IFMALSPDSA-N 384.524 1.881 0 50 GDAA CCOC(=O)[C@H](C)NC(=O)N1CCn2nc(-c3nc4ccccc4[nH]3)cc2C1 67723929 KYEVFGFSOFJHSB-LBPRGKRZSA-N 382.424 1.903 0 50 GDAA C[C@]1(c2ccc(-c3noc([C@@]45C[C@H]6C[C@H](C(=O)N4)[C@H]5C6)n3)cc2)NC(=O)NC1=O 351407486 HTHMQTSMTVSTFR-PCUHHQMZSA-N 393.403 1.162 0 50 GDAA CCN1CCN(C(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)CC1 65365359 HJFGSYGSIDSHOF-UHFFFAOYSA-N 393.431 1.636 0 50 GDAA Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3CCCN(c4ncccn4)C3)c2c1 72158332 NRYHYOOQFHAENU-HNNXBMFYSA-N 381.436 1.868 0 50 GDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 328611114 KMDQBWGUESMARO-CQSZACIVSA-N 375.809 1.594 0 50 GDAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NC1CCN(CC(=O)NC)CC1 154089143 OOYFXIWCGDGGHJ-GOSISDBHSA-N 387.528 1.637 0 50 GDAA NC(=O)CCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77436912 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COC(=O)CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263586655 WOZFZHIBUVSPJK-HNNXBMFYSA-N 389.452 1.903 0 50 GDAA biogenic O=C(Cn1cnnn1)NC[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 827864348 JUYSJENYWKCOTM-HNNXBMFYSA-N 381.440 1.357 0 50 GDAA O=C(Cc1cccc(O)c1)N1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 828925465 XHFFAUKXDIWMGL-QGZVFWFLSA-N 388.464 1.191 0 50 GDAA CCN(CCOc1ccc(Cl)cc1)C(=O)NCCN(C)S(C)(=O)=O 584886245 HWZHJTOWNYHFGQ-UHFFFAOYSA-N 377.894 1.642 0 50 GDAA Cn1cnnc1SCCNS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 670474127 MIBLIFPGAZGKFY-UHFFFAOYSA-N 396.454 1.406 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1=O 268941324 FDGCQORAGXYMAP-YPMHNXCESA-N 396.827 1.404 0 50 GDAA COc1ccsc1S(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O 268479246 IXTHSXINKSBVCJ-LLVKDONJSA-N 384.483 1.273 0 50 GDAA COCC(=O)Nc1ccc(NC(=O)c2cn(C[C@H]3CCCNC3)nn2)cc1C 1506419737 WDWBYFRMTHPGCI-AWEZNQCLSA-N 386.456 1.423 0 50 GDAA CCC[C@H]1CN(Cc2nnc(-c3ccc(C)n3C)o2)C[C@@H]1NS(C)(=O)=O 211912276 WZUPYMLOHKTXTD-KBPBESRZSA-N 381.502 1.533 0 50 GDAA CN1CCCN(CC(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1529180075 ATKDUKLJMHAYLU-WIYYLYMNSA-N 382.508 1.234 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)cc1 1529114636 RDQGSACQVCRTDF-HXUWFJFHSA-N 393.447 1.957 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)C1 1772706775 MCBUJLMGAVWGHO-MRXNPFEDSA-N 386.456 1.148 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCN1CCOCC1)C2 1772814765 AMFOPIUGPFMOBU-CQSZACIVSA-N 390.509 1.968 0 50 GDAA O=C(c1ccc2c(c1)no[n+]2[O-])N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 11938265 YYYNJLPVMRVQCI-HNNXBMFYSA-N 396.403 1.949 0 50 GDAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 12055553 ACVHZNZNMXVYGX-HVHJFMEUSA-N 385.917 1.988 0 50 GDAA Cn1cnnc1C1CCN(C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 12073055 IMXXYKQTTGZPBP-OAQYLSRUSA-N 389.544 1.928 0 50 GDAA CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 12446837 HUYGDPGGIHWCRO-QGZVFWFLSA-N 380.456 1.872 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3c(C)noc3C)CC(=O)N2[C@@H]1CC(C)C 1857685686 PMBVTFMAOXKISH-BZUAXINKSA-N 390.484 1.515 0 50 GDAA COc1ccc(C(=O)NCCOCCO)cc1Oc1cc(F)cc(CN)c1 1857686742 FVLCWYHRABAAFL-UHFFFAOYSA-N 378.400 1.824 0 50 GDAA Cn1ccnc1CN1CCC2(CCC[C@@H]2NC(=O)C2(CO)CCOCC2)CC1 1857697960 BTEUDGQABPLOEW-KRWDZBQOSA-N 390.528 1.460 0 50 GDAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857720159 HGLNVIKNZDGQMG-BIZBXSGISA-N 379.464 1.354 0 50 GDAA CC(C)Cc1cc(C(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)nc(O)n1 1857720738 HNZFSZSNYMGWLD-KNQAVFIVSA-N 399.491 1.809 0 50 GDAA COCCN1CCC[C@@]2(CCCN(S(=O)(=O)c3c(C)noc3C)[C@@H]2C)C1=O 1875242910 HVWXOICASOHOQD-QAPCUYQASA-N 399.513 1.720 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)cc1OC 237199538 CSNILYATJHJONT-VHSXEESVSA-N 393.303 1.967 0 50 GDAA CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NCc1cocn1 864097573 WOYLMQMRYPRAPS-HZPDHXFCSA-N 395.437 1.130 0 50 GDAA O=C(Nc1ccc(CC2CCN(C(=O)[C@H]3CCOC3)CC2)cn1)[C@@H]1CCOC1 952852430 UPZODOAOGJWPKQ-MSOLQXFVSA-N 387.480 1.874 0 50 GDAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCS(=O)(=O)c2ccsc21 1875341539 WZTYEZPSOKBPKU-UHFFFAOYSA-N 392.462 1.476 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1cc(C)on1 1875312679 IWVXTAINSWBJRY-UHFFFAOYSA-N 388.829 1.709 0 50 GDAA CC(C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccccn2)CC1 888103471 JGCXZWAVYYRIKT-OALUTQOASA-N 385.512 1.697 0 50 GDAA COc1cc(-c2noc([C@@H]3CCc4nnn(C5CCN(C)CC5)c4C3)n2)ncn1 1775960329 GDCZJMLCLMUNLB-GFCCVEGCSA-N 396.455 1.666 0 50 GDAA Cc1ncsc1CCNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 2100473710 VYRYUTMHPHIELN-GVDBMIGSSA-N 387.505 1.609 0 50 GDAA O=C1CO[C@H](C(=O)NCCCn2ccc3ccccc32)[C@@H](c2cccnc2)N1 2100556800 HXBSYVGBYQLKDO-UXHICEINSA-N 378.432 1.799 0 50 GDAA CCOc1ccc2c(c1)CCN(c1cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn1)C2 2325785481 ARVYQRVFROUDRQ-RTBURBONSA-N 397.523 1.939 0 50 GDAA CCN1CC[C@H]1C(=O)N1CCC2(CC[C@H]2NC(=O)c2coc3c2COC3)CC1 2325870866 SLLQSEBICHHVAT-FUHWJXTLSA-N 387.480 1.905 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C4CC4)ccc3C2=O)C(=O)N1 2325890737 BZOOOSXNHJBAJX-ZWKOTPCHSA-N 395.459 1.852 0 50 GDAA C[C@@H]1CN2C[C@H]1CNC(=O)c1ccccc1CC=CCOC[C@]1(CCNC1)C2=O 2325894015 JWDWRUBWSYZMIK-LYHRCORUSA-N 397.519 1.620 0 50 GDAA Cn1c(=O)c2cc(N)c(-c3cc(Br)ccc3O)nc2n(C)c1=O 624169 PLIWRTDLJXQFJG-UHFFFAOYSA-N 377.198 1.350 0 50 GDAA CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 828100 QXWIOANXCUYJBF-QGZVFWFLSA-N 392.408 1.828 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C[C@@H]1O 2356135719 QMGDHBZAOGAXGY-RXVVDRJESA-N 389.496 1.516 0 50 GDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(CSc2ncn[nH]2)o1 55099091 ZQRNSDDXWSFPLT-CYBMUJFWSA-N 379.486 1.873 0 50 GDAA O=C(O)CCCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 116341953 ZKYBSUOEVQABLK-UHFFFAOYSA-N 391.287 1.620 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)cc1 20368223 HSSONONAMKJQQW-QGZVFWFLSA-N 380.510 1.639 0 50 GDAA c1ccc2c(c1)CC(N1CCN(Cc3cnc(N4CCOCC4)nc3)CC1)C2 67740814 FBVRPSLAHDEDSJ-UHFFFAOYSA-N 379.508 1.598 0 50 GDAA CC[C@H](C(=O)N1CCN(C)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 65362375 UZQYSNLYKVMKPN-OAHLLOKOSA-N 387.933 1.967 0 50 GDAA CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C1(C(N)=O)CCCC1 120111845 SRJUONOKMPLDQT-UHFFFAOYSA-N 391.472 1.837 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2C[C@@H]2C)c1C 230184510 HJIRIFGOTFVSID-IEAZIUSSSA-N 380.510 1.569 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3ccncc3)C2=O)c1 71315411 CWQBMQOTOZOPPU-NRFANRHFSA-N 387.455 1.915 0 50 GDAA Cc1ncnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1C 71767796 KVJVSNVNXZSOHU-SFHVURJKSA-N 387.528 1.633 0 50 GDAA Cc1c(C(=O)O)sc2ncnc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)c12 72410365 HPFUJGQTOBLTFD-JTQLQIEISA-N 376.438 1.731 0 50 GDAA COC(=O)CCCN1CCC(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 253370918 XZZYQMMVUVCFNT-MISYRCLQSA-N 381.561 1.883 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1c1ncc[nH]1 328623403 JBUONNNHJMINRD-LLVKDONJSA-N 375.376 1.501 0 50 GDAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)C1=O 328611329 LGRGPKAYAIRXDD-QGZVFWFLSA-N 386.477 1.822 0 50 GDAA COc1nc(N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)ncc1Br 366858154 NJNOEVJSESNRJQ-GFCCVEGCSA-N 395.261 1.682 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccoc2)c(OC)c1 72152830 GBEOCKIQVJXYQT-QGZVFWFLSA-N 387.436 1.304 0 50 GDAA Cc1noc([C@@H](C)N2CCN(C(=O)NCc3nnc4n3CCCCC4)CC2)n1 171898570 PAWXJXBEHXSLDN-CYBMUJFWSA-N 388.476 1.284 0 50 GDAA NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 173256627 KMTGRJMIOLGALC-UHFFFAOYSA-N 386.473 1.965 0 50 GDAA O=C(C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCn4cccc4C3)C2)CC1 71751212 FNAWJFAFONFXRA-SFHVURJKSA-N 384.524 1.943 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 296529793 ANWSEBZVRMAZAA-OAHLLOKOSA-N 379.526 1.682 0 50 GDAA COc1ccccc1N1C[C@H](C(=O)N2CCN(c3cccnn3)CC2)CC1=O 299691879 WKFYGGWTQPWKBB-OAHLLOKOSA-N 381.436 1.187 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@H]3C[C@@H](c4cc(O)nc(C5CC5)n4)C3)cc2)n1 253535381 NLSZQODJVDCIPE-GASCZTMLSA-N 391.435 1.926 0 50 GDAA CS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@@H](C(=O)O)C2)c1F 299744607 TVHDYHSSHFEGCC-SSDOTTSWSA-N 394.218 1.538 0 50 GDAA Cc1c(Cl)cccc1NC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940197323 HKETXJCZRBGNNJ-SMDDNHRTSA-N 375.878 1.676 0 50 GDAA NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65460898 PFCPVKROKMRAQU-CVEARBPZSA-N 377.872 1.777 0 50 GDAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NC[C@@H]3CCCO3)CC2)cc1 299776160 KMLSFTOXPULICM-SFHVURJKSA-N 382.530 1.642 0 50 GDAA CN(CC1(CO)CCOCC1)C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 584895890 IFDIPCMNWAMDJR-HNNXBMFYSA-N 379.432 1.362 0 50 GDAA COc1ccc(CC(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)cc1 1565510026 ZDPIKXXQTKGKAE-ROUUACIJSA-N 375.494 1.754 0 50 GDAA COCC(=O)N1CCN(CCC2=C(C)CCCC2(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1565510098 VYOANGGKDWPVSH-MSOLQXFVSA-N 398.569 1.859 0 50 GDAA CC(C)(C)NC(=O)CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 170618629 ZJQFKUIVUTZAIU-IYBDPMFKSA-N 398.463 1.609 0 50 GDAA CC(C)(O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 170610119 HIJJQEGJXDUMAY-UHFFFAOYSA-N 382.214 1.165 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 189715316 UUDPINHCTRSVPW-LJQANCHMSA-N 394.479 1.595 0 50 GDAA O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 1506430536 ZYYMOXPRTDZWJT-ZDUSSCGKSA-N 391.439 1.130 0 50 GDAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)s1 1506408689 ZCHZTMDFVCRGNG-NSHDSACASA-N 376.438 1.970 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](CNC(=O)Cc2cccnc2)C1 1506406899 HELQHDMJCGENAA-MRXNPFEDSA-N 392.481 1.446 0 50 GDAA CCCCn1ncc(C)c1NC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1529155633 XDVRJQPRLTUFMH-INIZCTEOSA-N 382.530 1.829 0 50 GDAA Cc1nc(C)c(C(=O)N2C[C@@H]3OC(=O)N(CCN4CCCCC4)[C@@H]3C2)s1 212997572 ISIOPUKYSOKLLM-CABCVRRESA-N 378.498 1.891 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)on1 1704352067 WRCSRNWUHJBMNY-APWZRJJASA-N 398.463 1.292 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)CC2)c1 1704354545 GBTCAOAPFSNMAY-IRLDBZIGSA-N 394.519 1.574 0 50 GDAA 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BSTIDJFIGCNYJH-CABCVRRESA-N 396.285 1.345 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(c2nc3ccccc3s2)CC1 426405482 JDCVPXTXIQNEQH-LBPRGKRZSA-N 380.495 1.315 0 50 GDAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN2C(=O)NC[C@@H]2C1 176619130 JVUVFSDEHWVOQT-LLVKDONJSA-N 396.329 1.997 0 50 GDAA COC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCSCC3)c2)C1 95391633 CLSUPEZTEULNJM-CQSZACIVSA-N 384.523 1.533 0 50 GDAA O=C(c1cnc2ccccn2c1=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91965855 AETRPJUIELGNSS-OAQYLSRUSA-N 380.448 1.559 0 50 GDAA CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)on1 91768973 MMTSXWSIVYZLSO-IAGOWNOFSA-N 378.517 1.191 0 50 GDAA C[C@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1cccn1 91724944 VCOOGTGCRPWRMU-CQSZACIVSA-N 382.468 1.480 0 50 GDAA Cn1cccc1-c1cc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)[nH]n1 91782135 NBCGRCOTZSILFK-UHFFFAOYSA-N 377.412 1.044 0 50 GDAA COCCn1nnnc1[C@H]1CN(Cc2noc(-c3ccc(C)cc3)n2)CCO1 244842369 UPKUQNGTDQUYAW-OAHLLOKOSA-N 385.428 1.251 0 50 GDAA COc1ccc([C@H](NC(=O)CCN2CCN(C)CC2)[C@H]2C[C@@H](O)C2)cc1F 244882851 YAJOPMMARYGQBG-YRNRMSPPSA-N 379.476 1.400 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3ccc(C)n3)OCC(=O)N2C2CC2)cc1 1940198461 WYMYBWOEBVNJLX-UXHICEINSA-N 398.463 1.447 0 50 GDAA Cc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)c2cn[nH]c2)CCO3)cc1 825171850 GFZCIGUQOQNDRJ-UHFFFAOYSA-N 382.464 1.794 0 50 GDAA CCc1cc(CN(C)C(=O)N[C@@H]2CN(C)S(=O)(=O)c3ccsc32)on1 584898687 JZZAWLRTCIKDNB-GFCCVEGCSA-N 384.483 1.815 0 50 GDAA CCC(=O)N1CCC(NC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)CC1 584900730 PLOUKLVCJHJDFA-AWEZNQCLSA-N 375.473 1.425 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C1 1565529350 JSPSXXRVUMEWSY-KGLIPLIRSA-N 378.491 1.328 0 50 GDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565530170 LGDICASYOJKHII-PBHICJAKSA-N 376.424 1.193 0 50 GDAA CN1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@]4(CC=CCC4)C3)n2)CC1 408369271 UVOZGIPEDPJIBR-NRFANRHFSA-N 385.512 2.437 0 50 GDAA C[C@H]1CN(Cc2ccccn2)CCN1C(=O)CCNC(=O)OCC(F)(F)F 170597686 WOSHDBNIQJNCQA-ZDUSSCGKSA-N 388.390 1.793 0 50 GDAA NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 170591229 XPQXLNKGJJRUBB-UHFFFAOYSA-N 384.797 1.703 0 50 GDAA CCOc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704298333 JEIJUJFHQLIDNW-JSGCOSHPSA-N 390.889 1.375 0 50 GDAA O=C(c1cccc(Cl)c1)N1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1 1704356446 XGMVNHNKHPGLRE-UHFFFAOYSA-N 390.871 1.936 0 50 GDAA COCCN(C)C(=O)c1sc2ncnc(N[C@H]3CCCCNC3=O)c2c1C 12132940 JNIABJWFTKRQNC-LBPRGKRZSA-N 391.497 1.799 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCN2CCCO2)CC1 14970054 JEHFKZHUUVSQFP-IBGZPJMESA-N 383.533 1.380 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2)n1C[C@@H]1CCCO1 19839644 BXKQEYSKIDEIJD-KRWDZBQOSA-N 395.529 1.574 0 50 GDAA CN1C[C@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)CC(C)(F)F)C2 1857531930 GKEKJYFIIWYYFB-CQSZACIVSA-N 395.454 1.216 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCNC(=O)C4)CC3=O)sc2c1 1857668310 VXFCNEHCBRAPIH-NSHDSACASA-N 388.449 1.006 0 50 GDAA CCN1CCN(CC(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)CC1 1857674052 YTDHKCCQFPNCMB-NNMXDRDESA-N 385.508 1.701 0 50 GDAA CC(C)n1cncc1CN1CCO[C@@]2(CCN(CC(=O)N3CCCCC3)C2)C1 1857690460 DNQGYRVORYHZAV-OAQYLSRUSA-N 389.544 1.753 0 50 GDAA OCCn1c(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc2ccccc21 1857713476 XMUQWBXRCHFUFG-KREFBHGWSA-N 379.460 1.602 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCCc3cscn3)CC2=O)s1 1857713701 DIOXVYSZNAYBQS-SNVBAGLBSA-N 381.483 1.243 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3ccc(O)cc3)CC2=O)s1 1857720005 ZULQCWJOONQZHD-GFCCVEGCSA-N 376.438 1.450 0 50 GDAA C[C@H]1CN(Cc2c(Cl)cccc2N2CCOCC2)CCN1S(C)(=O)=O 408451366 IMLFVZSJPVTGGA-AWEZNQCLSA-N 387.933 1.642 0 50 GDAA CN(C)c1noc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 378103833 UQIQAPGIUPUXHQ-UHFFFAOYSA-N 376.436 1.739 0 50 GDAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@H]1O 1704299685 QMJDLHYTGDLFGX-LSDHHAIUSA-N 377.409 1.020 0 50 GDAA Cc1nc2ccc(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)cc2nc1C 1704353640 QGSKOMXZTHRRTR-HOCLYGCPSA-N 384.436 1.104 0 50 GDAA N[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc21 1875345422 ZZWIXFORLAQJBO-ZIAGYGMSSA-N 386.433 1.030 0 50 GDAA CO[C@@H]1CN(c2cc[nH]c(=NCCc3noc4ccccc34)n2)C[C@@H]1N(C)C 1875398398 OICUCXGPOPBASW-FUHWJXTLSA-N 382.468 1.460 0 50 GDAA CO[C@@H]1C[C@H](N(C)c2ncnc3c2ncn3C[C@H](O)[C@@H]2CCCO2)C12CCC2 888097394 HWCBMNVUGMIMTH-YHUYYLMFSA-N 387.484 1.760 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@H]1NC(=O)CO 2100482167 BWGQYOPNENWLDR-NUEKZKHPSA-N 379.457 1.241 0 50 GDAA Cn1cnc2c1CCN(C(=O)c1ccsn1)[C@]21CCN(C(=O)c2cnco2)C1 2325776941 PGMYSNQPQQQHMO-SFHVURJKSA-N 398.448 1.305 0 50 GDAA O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1C[C@@H](Cn2cc(C(=O)O)cn2)C[C@H]1O 2325786227 VJUKHHVFVZJUQT-NIKGAXFTSA-N 396.447 1.951 0 50 GDAA C[C@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@@H]1CN=c1ccc2nnnn2[nH]1 2325794526 FONFISLGQCLSKP-NTBNARMZSA-N 383.500 1.664 0 50 GDAA Cn1c(C(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)cc2c1CCOC2 2325811668 PODJXWIQCOSVRS-JDSLSITLSA-N 378.860 1.517 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 859064395 ZSPVDCZBRLBAFI-UHFFFAOYSA-N 394.269 1.378 0 50 GDAA CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325897720 FWIPJUOUMAJMAS-CJNGLKHVSA-N 397.431 1.493 0 50 GDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1 2356140000 PLYGLXNEPOVQBI-INIZCTEOSA-N 393.451 1.319 0 50 GDAA N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 2391112 TUZAVLAUJHUFLA-INIZCTEOSA-N 397.435 1.385 0 50 GDAA CN1CCN(CCC(=O)N2CCCc3ccccc32)C[C@@]12CCNC(=O)CC2 108014576 HTSLJXGFCVLMQN-JOCHJYFZSA-N 384.524 1.642 0 50 GDAA CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2Cn2cccn2)NC(=O)N1 65372912 ZNZSCHMPMNXSBS-GOSISDBHSA-N 381.436 1.418 0 50 GDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 247343805 AYYDNBJGOVMCIH-YXAMBPQSSA-N 376.434 1.688 0 50 GDAA Cc1ccccc1N1CCN(C(=O)Cn2nnnc2CN2CCCC2)[C@@H](C)C1 23310395 JYLZDOFROAHPBL-KRWDZBQOSA-N 383.500 1.315 0 50 GDAA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ncc[nH]3)c2)C1 215028105 KQTRQZWPUIPKLO-CQSZACIVSA-N 378.454 1.091 0 50 GDAA NCCC(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OCc1cccnc1 72137254 IISYNYLLYJAUAU-RTWAWAEBSA-N 380.492 1.808 0 50 GDAA Cc1cc(CC(=O)N2CCC[C@](O)(CNC(=O)c3cccs3)CC2)on1 72169100 PFOMZBFUGKSWKH-GOSISDBHSA-N 377.466 1.761 0 50 GDAA COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 218097789 QSKQSRNGFCMEKL-VIFPVBQESA-N 381.768 1.921 0 50 GDAA biogenic Cc1ccc([C@@H]2CN(C(=O)c3cn(CCN)nn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72166004 KIFVBPDIADODGO-DFQSSKMNSA-N 380.496 1.248 0 50 GDAA COc1cccc(CN2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72457068 WLLPZEDUZBIGAC-VQTJNVASSA-N 387.505 1.574 0 50 GDAA O=C(O)c1cccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1 377145377 WLXDUKPDKDDUTF-UHFFFAOYSA-N 378.392 1.323 0 50 GDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 71753182 RTPFWPIFKVGDED-CYBMUJFWSA-N 379.844 1.440 0 50 GDAA Cn1cc(-c2ccccc2CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 378294369 QIAHSFDDQCYUMH-IBGZPJMESA-N 377.448 1.983 0 50 GDAA CCOc1ccnc(N2CCN(C(=O)c3cc4ccccc4c(=O)n3C)CC2)n1 285340784 KMGNZPOZYINNFH-UHFFFAOYSA-N 393.447 1.690 0 50 GDAA CN(CCC(=O)NCc1cc(-c2cccc(F)c2)no1)[C@@H]1CCS(=O)(=O)C1 222896787 LJPJYTUNTMKXCS-OAHLLOKOSA-N 395.456 1.606 0 50 GDAA O=S(=O)(NCc1cc2n(n1)CCNC2)c1ccc(OC(F)(F)F)cc1 82087493 JZJOBWBGAPTLED-UHFFFAOYSA-N 376.360 1.363 0 50 GDAA Cc1n[nH]c(C2CC2)c1C(=O)N1CCn2nc([C@H](O)c3ccnn3C)cc2C1 220464174 BUCMRBRYFVSLOL-SFHVURJKSA-N 381.440 1.263 0 50 GDAA COc1cccc([C@@H]2CN(C(=O)Cc3nonc3C)C[C@H]2C(=O)O)c1OC 91656806 UWQSBFROAVTREK-QWHCGFSZSA-N 375.381 1.265 0 50 GDAA COCCN1C[C@]2(CCCN(Cc3nc(C(F)(F)F)no3)C2)CCC1=O 91410843 WFAOBUUXGAGGSH-OAHLLOKOSA-N 376.379 1.939 0 50 GDAA CNC(=O)COc1cccc(CC(=O)NCc2ccnc(-n3ccnc3)c2)c1 178584875 NXGPSQAHDFVQAT-UHFFFAOYSA-N 379.420 1.251 0 50 GDAA CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1)c1ccncc1 95383573 ATSNKXGPSXQFHB-KRWDZBQOSA-N 375.450 1.328 0 50 GDAA CN1CCC(CNC(=O)N2CCC[C@](O)(CO)CC2)(c2ccccc2)CC1 426563133 CNNMOIZVQNSDRZ-OAQYLSRUSA-N 375.513 1.569 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)CC2)n1 95504979 PPVRKTNJFLRVQL-SFHVURJKSA-N 381.480 1.840 0 50 GDAA COc1ccc(CN2CCNC(=O)CC2)cc1OC[C@H](O)CN1CCCCC1 95515418 UJOJIAYOMKUKDW-GOSISDBHSA-N 391.512 1.243 0 50 GDAA O=C1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CCN1 95528599 AHKMGMNWXLTLHH-UHFFFAOYSA-N 385.464 1.429 0 50 GDAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1 91616337 ZFTOPRBJVUKISD-RTBURBONSA-N 383.492 1.662 0 50 GDAA CN(CCc1cnn(C)c1)S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95374034 YJYSVIHQEGPOSM-UHFFFAOYSA-N 376.482 1.566 0 50 GDAA Cn1nccc1CCNC(=O)Nc1cccc(OCC(=O)N2CCOCC2)c1 96151171 YZHQLFUWGUUXTO-UHFFFAOYSA-N 387.440 1.022 0 50 GDAA CN(Cc1ccoc1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 97515093 KJJSTNYLTMEANF-AWEZNQCLSA-N 378.450 1.867 0 50 GDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc(S(N)(=O)=O)c1C 299752721 VEFWVKIROQMVDC-QEJZJMRPSA-N 380.466 1.809 0 50 GDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)sc1C 55036271 XONALQWBWIXLGC-HNNXBMFYSA-N 376.482 1.402 0 50 GDAA Cc1ncsc1CN1CCOC2(CCN(Cc3c[nH]nc3C(=O)O)CC2)C1 828567940 YPXARYZJCFYCBE-UHFFFAOYSA-N 391.497 1.740 0 50 GDAA O=C(c1cncc(OCC(F)F)c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 1326747244 YNQLQZXNMUDMFE-ZDUSSCGKSA-N 389.424 1.366 0 50 GDAA COC1CCN(S(=O)(=O)NCCN2CC[C@H](c3ccccc3C)C2)CC1 670461614 DDSCFWGHFNTJKO-KRWDZBQOSA-N 381.542 1.730 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCOC3(CCN(c4ccc(Cl)cn4)CC3)C2)N1 952965355 RJKOOFDJAHIXNV-AWEZNQCLSA-N 378.860 1.211 0 50 GDAA CCc1nc(C)c(C(=O)NC[C@H]2CCCN(C(=O)c3snnc3C)C2)o1 952986833 BFVSXPGTDLWJMK-GFCCVEGCSA-N 377.470 1.988 0 50 GDAA O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 186123732 BVSNKDOBSGITIA-GFCCVEGCSA-N 392.308 1.578 0 50 GDAA CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1c(Cl)nc2ccccn12 170596863 KIQSYZROZHEQEM-UHFFFAOYSA-N 382.848 1.947 0 50 GDAA C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)N1CCCCC1=O 188804692 NXJUCWJYTHVJLL-AWEZNQCLSA-N 388.468 1.886 0 50 GDAA COC(=O)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1cccs1 747328232 XNWYXOGKGCLGLV-FZMZJTMJSA-N 386.433 1.417 0 50 GDAA Cc1nn(C)cc1NC(=O)CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704299928 VDKDCKADRPJJLZ-UZLBHIALSA-N 379.464 1.751 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCN(CCO)CC2)ccc1F 1704307552 JTLWXBLOPHEYCH-UHFFFAOYSA-N 392.431 1.305 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccccn2)cc1 12306621 NMGSFHXSIAWVCW-FQEVSTJZSA-N 396.491 1.829 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12438405 OMUAKWZMCUCBMH-OAHLLOKOSA-N 382.424 1.166 0 50 GDAA Cc1ccccc1Cn1cc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)nn1 12595174 ANKRWVMQYKPTQU-LJQANCHMSA-N 383.496 1.696 0 50 GDAA Cc1noc(C)c1CO[C@@H]1CN(Cc2cc[nH]n2)CC(=O)N(CC(C)C)C1 14541281 ANBVMVJLSLRHSK-QGZVFWFLSA-N 375.473 1.900 0 50 GDAA COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4O)CC3)C2=O)cc1 18093539 ABQUEDBLFYSZHE-GOSISDBHSA-N 381.432 1.855 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)N3CCc4ccccc4C3)CC[C@H]2O)no1 1857692614 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388.833 1.145 0 50 GDAA COc1cccc(-n2cc(CNC(=O)[C@H](c3ccccc3)n3cnnn3)cn2)c1 670474102 VVLCVWFLVYAQEE-IBGZPJMESA-N 389.419 1.773 0 50 GDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1 1565528025 MYGWHJSIYDIZTM-ROUUACIJSA-N 376.453 1.612 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CCO1 275771066 SFRSFLRHRSICFU-ZDUSSCGKSA-N 378.322 1.702 0 50 GDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cncnc3N3CCCC3)c2C1 277070339 BLVXEVIGHNOYKP-CQSZACIVSA-N 383.456 1.224 0 50 GDAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)c1ccnnc1 1506399337 LZKMKRGPZASZKS-ZDUSSCGKSA-N 378.429 1.446 0 50 GDAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H]1CCNC1=O 1704316077 VAYWCXFOPAVFTB-GFCCVEGCSA-N 378.816 1.672 0 50 GDAA COc1ccc(CNC(=O)CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1OC 1704338608 VSWHKUYCGXYKEX-SJLPKXTDSA-N 385.464 1.250 0 50 GDAA COc1ccc(NC(=O)c2cccnc2N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 1704336823 QZXMECXWDPNGLH-IRXDYDNUSA-N 386.452 1.462 0 50 GDAA O=C(Cn1cnnn1)N1CCC[C@@H](c2ncnn2-c2ccc3c(c2)CCC3)CC1 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CC1(C)CN(C(=O)NCCc2nnc3n2CCCCC3)C[C@@]2(CCOC2)O1 369555222 ABEVYLTZXYTKMN-LJQANCHMSA-N 377.489 1.527 0 50 GDAA CCOc1ccc2nc(CN3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)ccc2c1 72448010 LJFRIMOCSYRSNW-MOPGFXCFSA-N 375.494 1.547 0 50 GDAA CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 219378636 AGVOWVSKAJNZCD-CABCVRRESA-N 377.293 1.823 0 50 GDAA CC[C@@H](CO)N1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1 131300707 ORDNCWDTZZVMQN-KRWDZBQOSA-N 394.479 1.653 0 50 GDAA CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 378386820 BXNSIUSLXXCFGD-KRWDZBQOSA-N 388.468 1.341 0 50 GDAA C[C@@H](N1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1)C(F)(F)F 177096398 VPYWUEMUKCCQJG-LLVKDONJSA-N 384.362 1.554 0 50 GDAA CCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c(C)n1 20602509 YIJOUBHGWNQOKL-UHFFFAOYSA-N 376.280 1.528 0 50 GDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cnn(-c4ccccc4)c2)[C@@H]3C1=O 95392921 MWBQEVDTXLIJLA-UGNRZPKXSA-N 378.432 1.243 0 50 GDAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)CN1C(=O)CNC1=O 91320860 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71751440 QHCVWRZFBIRKKY-INIZCTEOSA-N 389.496 1.787 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CC[C@@](O)(c2ccccc2)C1 77298584 PWQHZOJBGGVQPY-NRFANRHFSA-N 378.432 1.463 0 50 GDAA Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C3CCCC3)C2=O)n(C)n1 332921922 IDGBJFWWDBWZMB-CVEARBPZSA-N 387.484 1.131 0 50 GDAA CC1(C)CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)[C@H]1C1CC1 377895027 MNFWCAIZUHCZRV-INIZCTEOSA-N 391.493 1.812 0 50 GDAA CCN(C)CC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77300029 TXCSIICITBZOLV-UHFFFAOYSA-N 375.469 1.831 0 50 GDAA CSCC[C@@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 223229310 GTDRZPKEQZGOFR-CQSZACIVSA-N 384.465 1.693 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2nncn2C)c1 288294445 IYEMLNXPDUMNLO-UHFFFAOYSA-N 379.486 1.426 0 50 GDAA COCCN1C(=O)NC(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@H]32)C1=O 229901110 CCPCIENAKDVIIM-KBXCAEBGSA-N 377.828 1.576 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)NCc3cc4n(n3)CCNC4)CC2)c1 82107272 VFQMFWHZHMRFSS-UHFFFAOYSA-N 382.512 1.123 0 50 GDAA CC(C)CCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(C)C[C@H]32)C1=O 229906481 LLLWVNPDJDXZOW-PGRDOPGGSA-N 398.507 1.864 0 50 GDAA Cn1ccnc1CNS(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 95360238 HJADKVKWBGOGFL-UHFFFAOYSA-N 376.482 1.915 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc3sccc3[nH]2)CN1C1CCOCC1 95531513 JYEDTFAZBLIEOH-ABAIWWIYSA-N 376.482 1.327 0 50 GDAA CN1CCCCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 95520844 DZHIYWSHGCAYDO-GOSISDBHSA-N 379.526 1.830 0 50 GDAA CN1CCN(C(=O)c2cnc(-c3cccs3)nc2)C[C@]12CCNC(=O)CC2 95366725 FIPFSNOLMSXCCM-IBGZPJMESA-N 385.493 1.632 0 50 GDAA CCc1cc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)nc(N(C)C)n1 92061829 PTFFNVSIPUCWAA-UHFFFAOYSA-N 375.517 1.960 0 50 GDAA CN1C[C@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)CCC1=O 95516888 XFBBCTCACPBZPT-QGZVFWFLSA-N 381.480 1.901 0 50 GDAA O=C(CN1CCCC1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 95517289 IMRDGFXKKLSOBW-SFHVURJKSA-N 379.526 1.440 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 96165663 HDQLZUNPHYURPO-CQSZACIVSA-N 384.440 1.635 0 50 GDAA C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 95354833 BROBHPBOAFIAKR-CQSZACIVSA-N 377.470 1.271 0 50 GDAA O=C1CC[C@]2(CCCN(Cc3nnc(-c4cccnc4)o3)C2)CN1CCCO 91645975 UXYBLLKNFBWOEX-FQEVSTJZSA-N 385.468 1.719 0 50 GDAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H](C(=O)NCCN)C1 237662693 DNHATHBPNFXAEB-CYBMUJFWSA-N 376.482 1.568 0 50 GDAA CN(CCO)C[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)C[C@@H]1CO 91526765 KLTQCTVCCORQEE-HUUCEWRRSA-N 379.888 1.436 0 50 GDAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2nnn[nH]2)CC1 95528334 OOUIWVHFWDECEO-JTQLQIEISA-N 392.847 1.734 0 50 GDAA CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3cc(F)ccc3Cl)C[C@@H]2C1 95366793 SEOFJCBZMBIXLT-CZUORRHYSA-N 376.881 1.697 0 50 GDAA CC(=O)Nc1cccc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 244874477 XBXCCHRNQVAPKZ-YEWWUXTCSA-N 375.450 1.831 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc(OC)c(O)c(OC)c2)c1O 253623969 WSSGNEVICOSWBG-VIFPVBQESA-N 392.364 1.010 0 50 GDAA biogenic COc1ccnc(N2CCC(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)CC2)n1 299748820 IHIRHRUSHDRCTK-PMPSAXMXSA-N 388.468 1.946 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNC(=O)N(C)Cc3nccs3)cc2C1 534633474 JKJOBUJGVFPNAL-UHFFFAOYSA-N 376.486 1.679 0 50 GDAA O=C(NCC1CCN(c2cnc3ccccc3n2)CC1)c1ccc2nnnn2c1 828172175 HHZZXWMURBYVHN-UHFFFAOYSA-N 388.435 1.714 0 50 GDAA CN(C)CCN1CCC(NC(=O)N2CCC[C@@H](c3cc(O)ncn3)C2)CC1 823698158 PNUJSOSVLLLJOI-OAHLLOKOSA-N 376.505 1.097 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 871795123 KYQJYARMGREZGF-UHFFFAOYSA-N 396.387 1.191 0 50 GDAA Cn1cnnc1SCC(=O)N1CCC(CNC(=O)c2cscn2)CC1 952989462 VQLXGGGQXYMEOJ-UHFFFAOYSA-N 380.499 1.032 0 50 GDAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 952982258 YIRHWKAVDWVMEN-AWEZNQCLSA-N 396.538 1.606 0 50 GDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 952968981 QXWXGPDCCLNZGQ-LJQANCHMSA-N 388.512 1.697 0 50 GDAA O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)C1(S(=O)(=O)c2ccccc2)CC1 1565513548 ZSCSIBWQTUDPAQ-IRXDYDNUSA-N 379.478 1.693 0 50 GDAA O=C(Nc1ccc(=O)n(CCO)c1)c1cnn2c(-c3cccnc3)ccnc12 1469316589 LTJNHOGOSHWXLN-UHFFFAOYSA-N 376.376 1.198 0 50 GDAA O=C(NCC(=O)N1CCOCC1)c1cc(-c2ccc(Br)cc2)n[nH]1 272056692 MTDXETZCTQSMKH-UHFFFAOYSA-N 393.241 1.428 0 50 GDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)[C@@H]1CCOC1)CC2 275082051 FAUSUFKNKQYSCA-OCCSQVGLSA-N 385.438 1.196 0 50 GDAA CCO[C@H]1C[C@](CO)(NC(=O)c2cccc(NS(=O)(=O)CC)c2)C1(C)C 170602702 NQEUTXHKMBCXJI-MAUKXSAKSA-N 384.498 1.744 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1616076712 KMQJGCVMNFDHGN-OALUTQOASA-N 378.436 1.412 0 50 GDAA O=C(C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1)N1CCOCC1 1506415351 XMRMMBSRUAGFGE-QGZVFWFLSA-N 377.872 1.774 0 50 GDAA COc1ccccc1CCC(=O)N1C[C@H]2COC[C@@H](C1)CN2Cc1ncc[nH]1 1704312198 NKSJLVLPCMFZNI-AEFFLSMTSA-N 384.480 1.710 0 50 GDAA Cc1c(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cnn1C 12223710 XGFRJNXBXXJUQQ-IBGZPJMESA-N 378.423 1.650 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)o1 12758674 AGHRMXYCJJBTAD-CQSZACIVSA-N 379.457 1.309 0 50 GDAA COc1ccnc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)c1 1857672379 UQOGZDRNSLYESJ-STQMWFEESA-N 389.433 1.044 0 50 GDAA COc1ccc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)cn1 1857675756 IMFYPYHTPJQQCA-GOSISDBHSA-N 384.484 1.793 0 50 GDAA Cn1ccnc1CN1CC[C@]2(CN(CC(=O)N3CCc4ccccc43)CCO2)C1 1857693777 MFXJDCOWHWKTCF-JOCHJYFZSA-N 395.507 1.286 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2c(F)cccc2Cl)C1 1857706343 GGJJNKPZMTVKBI-BDJLRTHQSA-N 390.864 1.393 0 50 GDAA O=C(c1cccn2cnnc12)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857732611 YDRHMMCHIFLPAD-FVJLSDCUSA-N 389.415 1.644 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2 1875248254 GGNIAGWFAGLHPK-OLZOCXBDSA-N 388.399 1.124 0 50 GDAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 332317371 NBJFLCSQXZEMMQ-LLVKDONJSA-N 381.358 1.953 0 50 GDAA Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CC[C@@H](CN4CCCC4)C3)c(C)c12 127647872 GFZKIPATYVOJGG-INIZCTEOSA-N 385.512 1.755 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCC(=O)N(C)C)C2 248014578 PYPASETYJNEQLL-CABCVRRESA-N 376.457 1.109 0 50 GDAA O=C(O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 262779029 MBNRLYMVPBHOSC-MRXNPFEDSA-N 380.466 1.851 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)O)C2CCC2)ccc1Cl 852961400 MNDREPZMESGNFP-LBPRGKRZSA-N 388.873 1.821 0 50 GDAA Cc1noc(COCC(=O)N2CC[C@](c3nc(C)no3)(C(F)(F)F)C2)n1 952895997 ZWGQQXMSBJWKJK-ZDUSSCGKSA-N 375.307 1.319 0 50 GDAA N[C@H]1CN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@@]2(CCOC2)C1 1875291133 PAMSNPKAYGGTEC-NQIIRXRSSA-N 375.488 1.946 0 50 GDAA CN=c1cc(C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)c2ccccc2[nH]1 1875265816 NAAXRGUIZRDBHP-AWEZNQCLSA-N 392.463 1.419 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N=c2cc3n([nH]2)CCC3)c1 1875274476 BKUJMAGTEPCQII-UHFFFAOYSA-N 380.445 1.673 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H](C)c3ccnc(OC)c3)C2)n1 1875397641 ILEMVEQZENCJCV-GOEBONIOSA-N 384.484 1.786 0 50 GDAA CC1(C)CC[C@@H](Nc2cnccc2C(=O)NC23CC(CO)(C2)OC32COC2)C1 1875405791 OLGMJJGMHLOSHY-WPUWVODUSA-N 387.480 1.865 0 50 GDAA CCc1nn(C)c(-n2nc(C)nc2C)c1NC(=O)N1CCC[C@H](n2ccnn2)C1 888103172 MLTMAVZXESJCMT-AWEZNQCLSA-N 398.475 1.641 0 50 GDAA O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncs1)c1cnc(C2CC2)nc1 1775992261 REYUOKQLDBVLPP-KBMXLJTQSA-N 383.477 1.915 0 50 GDAA CC(C)CC1(C(=O)N[C@H]2CC3(CN(C(=O)c4cn(C)cn4)C3)n3ccnc32)CC1 2332237694 HYPPXFLJMUSMRW-HNNXBMFYSA-N 396.495 1.855 0 50 GDAA Cn1ccn2ncc(C(=O)N3CCC[C@]34CCCN(Cc3ccccn3)C4=O)c12 2356146363 CGZFAVZWFLEMMC-NRFANRHFSA-N 392.463 1.865 0 50 GDAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 7709417 PQDHOTXOEXHHQM-UHFFFAOYSA-N 384.421 1.590 0 50 GDAA Cc1cccnc1CN(C)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 55168687 UQBOIAZUAWZJCJ-MRXNPFEDSA-N 378.498 1.801 0 50 GDAA Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(C)CC2)cc1C 20485839 UUFMHSNWUPAUOY-HXUWFJFHSA-N 395.507 1.742 0 50 GDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3O1)CC2 67489775 XBXGRQXOHKNXBN-QGZVFWFLSA-N 383.404 1.716 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccnc2)cc1OC 11820895 KJRLIKSNAQNNDW-QGZVFWFLSA-N 398.463 1.106 0 50 GDAA Nc1nnc(SCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 219310563 MEVMGORBNFERPS-CHWSQXEVSA-N 380.495 1.703 0 50 GDAA CCN1CCN(Cc2cnc(-c3cccs3)nc2)[C@H]2CS(=O)(=O)C[C@H]21 77425423 WRLNJLGOPFFFPF-CABCVRRESA-N 378.523 1.508 0 50 GDAA COc1ccccc1N1CCC(NC(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 171057340 FRFJFVDYYKCQQE-MRXNPFEDSA-N 384.484 1.878 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccccc2OC)cn1 328625958 LEZZMIGYWGKEIZ-INIZCTEOSA-N 377.466 1.452 0 50 GDAA CN1CCN(S(=O)(=O)c2cnc3ccc(F)cc3c2)C[C@H]1c1nccn1C 329248549 WRFKQXCGJAOXNX-KRWDZBQOSA-N 389.456 1.785 0 50 GDAA CC(C)S(=O)(=O)NCCc1ccc(CCNS(=O)(=O)C(C)C)cc1 34056416 FHLGMMYEKXPVSC-UHFFFAOYSA-N 376.544 1.427 0 50 GDAA in-vitro CC1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 122499817 IOVFBNSWOFPIMI-IBGZPJMESA-N 385.512 1.838 0 50 GDAA CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 253426081 XVFRTGMRJVBPKP-UHFFFAOYSA-N 395.510 1.732 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1 35889356 UGRWVCQGIFDIKQ-UHFFFAOYSA-N 381.498 1.060 0 50 GDAA O=C(O)c1[nH]ncc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71735936 XIVZVYGJNLHXNA-OAHLLOKOSA-N 389.500 1.407 0 50 GDAA Cc1c(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)nnn1C1CCNCC1 237090997 NNCYNFQMUZOKMB-UHFFFAOYSA-N 392.410 1.500 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72126691 BYHPQQJHERUROC-OAHLLOKOSA-N 377.466 1.988 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C2 426628278 NVQVFUJVCQSYMM-IBGZPJMESA-N 381.480 1.233 0 50 GDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1 226306023 LRFLYGAWILIZLP-BDXSIMOUSA-N 396.399 1.607 0 50 GDAA CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCO[C@H](CCN)C3)cc2)cc1 426471743 YHWBSCUOTCXFLY-HXUWFJFHSA-N 381.476 1.832 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N1CCn2nc([C@@H](O)C3CC3)cc2C1 223853768 CCGWXVAVDFEWFR-SFHVURJKSA-N 376.482 1.519 0 50 GDAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 95528947 RBVSPDIUDXATSQ-MRXNPFEDSA-N 381.484 1.897 0 50 GDAA CC1(CNC(=O)c2cccc(S(=O)(=O)NCc3nccs3)c2)COC1 95358918 SQODMKZDXIWIPX-UHFFFAOYSA-N 381.479 1.388 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 23231631 WZSOMIWFNLMZMR-QGZVFWFLSA-N 392.500 1.989 0 50 GDAA C[C@@H](CN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O)C(F)(F)F 92080529 UJOKGYMUYBVOHD-NSHDSACASA-N 380.436 1.717 0 50 GDAA CCn1nc(CO)c2c1CCN(C(=O)c1cnn(-c3ccccc3OC)c1)C2 91737232 ZRVRXMLSFGMRKE-UHFFFAOYSA-N 381.436 1.788 0 50 GDAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1F 91859144 GWRQGYMGBDWSPS-UHFFFAOYSA-N 388.424 1.897 0 50 GDAA CC(C)n1cccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 92065515 QKUHXAAYUVTRNO-MOPGFXCFSA-N 376.545 1.920 0 50 GDAA COc1cccc(N2C[C@@H](Cc3ccccc3)N(C(=O)CCC(N)=O)CC2=O)c1 91320699 TVNZEUBXECPYAD-GOSISDBHSA-N 395.459 1.747 0 50 GDAA O=S(=O)(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)N1CCOCC1 244601817 DSDWBCQFQOMGLG-LESCRADOSA-N 377.466 1.213 0 50 GDAA CCN(CC)CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(C)on3)C[C@@]23C=C[C@H]1O3 252347110 WWARGXDZKOKSBG-ASKNOMKYSA-N 388.468 1.118 0 50 GDAA Cc1nc(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c1CCCC2 299770234 OGFBQBOTIDJNEB-UHFFFAOYSA-N 375.454 1.633 0 50 GDAA C[C@@H](C(=O)NCc1ccc2nc(O)[nH]c2c1)N(c1ccccc1)S(C)(=O)=O 827631657 OHDHBVJULVNTDF-LBPRGKRZSA-N 388.449 1.739 0 50 GDAA COc1cc(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)cc(-n2cnnn2)c1 824583261 KLZONXUEGRFIMN-GOSISDBHSA-N 395.423 1.078 0 50 GDAA CN(C)S(=O)(=O)CCNC(=O)c1cc2c([nH]c3ccccc32)c(=O)s1 952987278 VJBSCFMYLBSLTN-UHFFFAOYSA-N 379.463 1.364 0 50 GDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc2nc[nH]c2c1 952990310 HZJLMXCSJVAZHR-ZDUSSCGKSA-N 376.482 1.975 0 50 GDAA CCN1CCNC(=O)[C@H]1CC(=O)Nc1ccc(N2CCCC2)c2ncccc12 952867276 LREFLYACOIQVPZ-GOSISDBHSA-N 381.480 1.984 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)cs1 952987878 OPHYKSXWFDBAEZ-UHFFFAOYSA-N 397.478 1.238 0 50 GDAA C[C@H]1Oc2ccc(NC(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)cc2N(C)C1=O 952970690 WJHIHTYXPFUFHN-BZPMIXESSA-N 384.440 1.717 0 50 GDAA CC1CCN(S(=O)(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)CC1 1565525976 QFYINYCZKACJDP-YJBOKZPZSA-N 380.466 1.526 0 50 GDAA Cc1cc(C)c(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)c(-n2cccn2)c1 1565528654 RKWPDEYWBPPQDH-UNMCSNQZSA-N 384.524 1.881 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1CC(=O)O 273789674 RHGCKXHKGCJCOO-OAHLLOKOSA-N 396.509 1.819 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCc2cccnc2)cn1 275478860 YQCTUCVWNJFTHU-MRXNPFEDSA-N 377.470 1.022 0 50 GDAA CN(C)C(=O)CN1CCCN(C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 1506425279 DOVZJWWOUBZDSK-MRXNPFEDSA-N 387.402 1.361 0 50 GDAA O=C(CCCn1cnc2ccccc2c1=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704354585 GWSXLFHCWKZHJL-OXQOHEQNSA-N 392.459 1.634 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)c2cn(CCN3CCCCC3)nn2)CC1 11873986 OWKQIBPNAJYPKR-UHFFFAOYSA-N 397.527 1.425 0 50 GDAA CN(c1nc2nonc2nc1N1CCOCC1)C1CC(C)(C)NC(C)(C)C1 12385619 ZRYSDFSYIXKCPN-UHFFFAOYSA-N 375.477 1.595 0 50 GDAA CC(=O)c1cccc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)c1 13668050 UBKFXIJIWYZKAQ-UHFFFAOYSA-N 395.525 1.647 0 50 GDAA CCOC(=O)CNC(=O)N1CCC(C[C@H]2CCCCO2)(C(=O)OCC)CC1 14965448 JRTANQCXOJFGIT-OAHLLOKOSA-N 384.473 1.864 0 50 GDAA CC1=C(C(=O)OCCOc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19771397 NRDIEHIPQVSJSN-SFTDATJTSA-N 381.384 1.259 0 50 GDAA COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3 19821199 WFMTYWBEEBZPKS-ZDUSSCGKSA-N 395.415 1.653 0 50 GDAA CCN1CCC2(CC1)OCCc1cc(C(=O)N3C[C@H](O)[C@@H](OC)C3)sc12 1857690601 GMLPLCKJPHQCES-GJZGRUSLSA-N 380.510 1.464 0 50 GDAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cc(N2CCOCC2)no1 1857691515 ORMKADSYSRJATC-JENIJYKNSA-N 398.463 1.455 0 50 GDAA CC(=O)N1CCC(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)CC1 1857700637 YQOAJDAKBSEROT-PMACEKPBSA-N 399.491 1.273 0 50 GDAA CN1C(=O)NCC12CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)C2 1857706542 KPMPKPUXQNJBFJ-UHFFFAOYSA-N 385.489 1.870 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cnc4ccccc4c3)C[C@H]2CO1 1857735752 ABEMHSQLJRQXRK-SQNIBIBYSA-N 382.464 1.285 0 50 GDAA COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 225439832 JTNISJDFNVQCTL-HZPDHXFCSA-N 378.469 1.696 0 50 GDAA CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3C)CC2)n1 330080199 OTVBJAVJTQVIFI-CKEIUWERSA-N 388.472 1.349 0 50 GDAA O=C(c1cccc(F)c1F)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247369720 GUNVMUTWFCBUDK-BUXKBTBVSA-N 378.375 1.750 0 50 GDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1C 373159197 OVGORODLBDMKND-SFHVURJKSA-N 387.461 1.236 0 50 GDAA O=C1CO[C@]2(CCN(C(=O)c3nnn4ccccc34)C2)CN1Cc1ccccc1 1875284017 JTEVXNDQDSYMDU-NRFANRHFSA-N 391.431 1.373 0 50 GDAA CCn1c(-c2cnc[nH]2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 1875309393 NNDTXCZHJDNYLO-UHFFFAOYSA-N 379.490 1.083 0 50 GDAA CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1875362674 OPJNJZHJSSOHJJ-PMPSAXMXSA-N 375.874 1.367 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[C@H]1O)c1ccc2c[nH]nc2n1 2100539754 WVUNCYZVNCOIAP-CGTJXYLNSA-N 393.447 1.186 0 50 GDAA CS(=O)(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1c[nH]nc1Cl 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NC[C@H](O)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77288037 NXZQLWPWALYJCD-MRXNPFEDSA-N 379.888 1.391 0 50 GDAA COc1ccc(C2=NO[C@@H](C(=O)N3CCC4(CC3)OCCO4)C2)cc1OC 6738575 XEAKGJZQKKQICS-QGZVFWFLSA-N 376.409 1.562 0 50 GDAA COc1ccnc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1OC 77459772 SDVYGNONECXOJW-FQEVSTJZSA-N 377.485 1.686 0 50 GDAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)C[C@@H]1CCCCO1 328622340 BDQWBBMBLGICEZ-JYJNAYRXSA-N 379.480 1.877 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)c1 77470624 BVPZYNDDIXWTJN-VWNVYAMZSA-N 392.459 1.659 0 50 GDAA CCNC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 363519241 FEBNSHIANBKWBI-MOPGFXCFSA-N 388.512 1.970 0 50 GDAA CCN1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]2CS(=O)(=O)C[C@H]21 77287415 HKPYUUMKZDTFJF-MOPGFXCFSA-N 385.489 1.692 0 50 GDAA O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCOCC(F)(F)C1 365716506 CWIXYXVKFWBHIE-ZDUSSCGKSA-N 389.424 1.127 0 50 GDAA Cc1noc(C)c1CN(C)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72411978 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COc1cccc(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1OC 95521966 OQOKIWBVIMCXFQ-CQSZACIVSA-N 386.452 1.638 0 50 GDAA O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 95363300 HDMKYJAKTPDWKS-IBGZPJMESA-N 382.526 1.595 0 50 GDAA O=C(NC(c1ccccc1)c1ccccc1)c1cc2n(n1)C[C@H](O)CNC2=O 244817110 SULZXENCBGPFCO-MRXNPFEDSA-N 376.416 1.507 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN[C@H]3CC[C@H](O)CC3)C2=O)c1OC 244695591 JPEJFIJALAGFHH-FIKGOQFSSA-N 392.496 1.450 0 50 GDAA CN(C)C(=O)c1ccc(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)[nH]1 185160400 XZGRANFVWZOZCZ-LJQANCHMSA-N 384.480 1.276 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3cc(O)ncn3)c2)CC1 299796314 PXHMNMYYIOWYPU-UHFFFAOYSA-N 378.436 1.541 0 50 GDAA COCC(=O)N1CC[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)[C@H](O)C1 299801738 YPZSLIIQBYABLQ-NHCUHLMSSA-N 387.524 1.342 0 50 GDAA CC1=NO[C@@](C)(C(=O)N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)C1 822324366 ILDNLDKKTUMZAA-GOSISDBHSA-N 375.425 1.668 0 50 GDAA Cc1ccc(OCCS(=O)(=O)NC[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 670473063 ITUSKYCCBCBVRJ-INIZCTEOSA-N 380.510 1.942 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 952874107 VOXYLBKITAGGGL-CYBMUJFWSA-N 393.407 1.053 0 50 GDAA CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccc(C)cc1 408518371 DSNFLWAIQRCDGF-UHFFFAOYSA-N 380.491 1.796 0 50 GDAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 186123708 BVSNKDOBSGITIA-LBPRGKRZSA-N 392.308 1.578 0 50 GDAA O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H](N2CCNCC2=O)C1 186618669 AMWJZJWXIYDBGX-CQSZACIVSA-N 389.481 1.154 0 50 GDAA Cn1ccnc(N2CCC[C@H](NC(=O)NCc3ccc4c(n3)CCCC4)C2)c1=O 278347971 IHZGVVGDPFWDKP-KRWDZBQOSA-N 396.495 1.522 0 50 GDAA CS(=O)(=O)Cc1cccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)c1 194984618 ZJWTVSRFVHBNSB-UHFFFAOYSA-N 384.457 1.932 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 1506399835 JWENTNBSQIDHLE-HIFRSBDPSA-N 387.461 1.016 0 50 GDAA Nc1ncc(CN2C[C@H]3CN(CC(=O)O)C[C@@]3(CCc3ccccc3)C2)cn1 1772807866 UWGFDOQZSBOJCY-GHTZIAJQSA-N 381.480 1.510 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)c2c(C)noc2n1 1772812573 NMMFZTOSBRFMLY-UHFFFAOYSA-N 385.468 1.560 0 50 GDAA COc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2=O)c1 12028104 VVMYLRBNTINTBB-GOSISDBHSA-N 381.498 1.316 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(Cc2ccc(C)cc2)no1 169755128 MMIUUXOEXKOZDR-UHFFFAOYSA-N 390.421 1.547 0 50 GDAA Cc1cn(CC(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)c(=O)nc1O 1857698783 IAAOEQSQSSSZOK-UHFFFAOYSA-N 393.447 1.285 0 50 GDAA CC(C)Nc1ncc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cn1 1857711926 IUMBETZKSLFULB-IRXDYDNUSA-N 387.488 1.174 0 50 GDAA Cc1nc(C)c2c(n1)O[C@H](CN1[C@H]3CC[C@@H]1[C@@H]1CN(Cc4nccn4C)C[C@@H]13)C2 1857718749 RJZRNTHDIDKUIN-MVBLQPKNSA-N 394.523 1.725 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(S(=O)(=O)c2ccccc2F)CC1 1857723841 YXBYSSNWHKWGPO-UHFFFAOYSA-N 378.429 1.403 0 50 GDAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c(O)n1 1857725841 PJUYRFVFWRPFCK-OALUTQOASA-N 398.463 1.405 0 50 GDAA COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O 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O=C(NC[C@]12COCCN1C(=O)OC2)N1CCC[C@H](c2cc(O)cc(F)c2)C1 1875301757 SMXGPFSQMQDUEV-ORAYPTAESA-N 393.415 1.642 0 50 GDAA Cc1cccc(C(=O)N2CC[C@@H]([C@H]3CCCCN3C(=O)CCn3cnnn3)C2)c1 1875310337 MTAKNMASDSIXFZ-RTBURBONSA-N 396.495 1.915 0 50 GDAA CCN1C(=O)CC[C@H](C(=O)N[C@@H](CC(=O)O)c2ccncc2)[C@H]1c1cnn(C)c1 1875356286 NRGBKIHTEPNBJV-TXPKVOOTSA-N 399.451 1.447 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccc4[nH]ncc34)C2)n1 1875396780 AXXHWOZZWUJACZ-OAHLLOKOSA-N 379.468 1.698 0 50 GDAA CCOC(=O)c1cnc(N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)o1 1875321760 UQVBFRNRVZSQHT-GOSISDBHSA-N 398.463 1.993 0 50 GDAA CCc1nc([C@H]2CN(C(=O)C3=NN(CC(C)C)C(=O)CC3)Cc3c[nH]nc32)n[nH]1 1875393355 LIDUFQUSGYJUEN-ZDUSSCGKSA-N 398.471 1.199 0 50 GDAA Cn1nncc1CC(=O)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402236 CSNRRYDZPPYPNR-BMGDILEWSA-N 380.452 1.177 0 50 GDAA CCS(=O)(=O)N1CCC(c2nc(-c3cc4c(nc3O)CCNC4)no2)CC1 2325850229 QLBGYFXZQHBSSW-UHFFFAOYSA-N 393.469 1.012 0 50 GDAA O=C(Cc1ccsc1)N[C@@H]1CC2(CN(C(=O)[C@@]34COC[C@@H]3C4)C2)n2ccnc21 2332237934 RFBIVHFLIVAXDZ-MDOVXXIYSA-N 398.488 1.322 0 50 GDAA CCc1nc(COc2ccc(C(=O)N[C@@H]3CCc4nc(C)nn4C3)cc2)no1 115056533 RIHWYSLEZQTEJU-CQSZACIVSA-N 382.424 1.856 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCN3CCCCC3=O)C1)CC2 2356134047 VBTWQCKZNMFQAA-NRFANRHFSA-N 385.512 1.752 0 50 GDAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1 4171982 CJOIDQNAGLWJIR-CQSZACIVSA-N 375.385 1.551 0 50 GDAA NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1 8784303 OXXVEMHDDBZZCT-UHFFFAOYSA-N 385.424 1.914 0 50 GDAA CC(C)(C)OC(=O)N1CCN(CCC(=O)NCCC(=O)N2CCCCC2)CC1 225401330 IUBXWEMAFPFTMR-UHFFFAOYSA-N 396.532 1.448 0 50 GDAA C[C@@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)N1CCCC1=O 67743769 GBQBCCZXHNBJKP-INIZCTEOSA-N 381.480 1.783 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNCc3snnc3C)C2=O)c1 67805339 SBDYDPUQQKGWTM-GOSISDBHSA-N 376.482 1.498 0 50 GDAA O=C(CCNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)N1CCCC1 67774574 DXDWSONFVZHRBW-FQEVSTJZSA-N 377.460 1.281 0 50 GDAA Cc1cc(C(=O)N2CCc3[nH]nc(C(C)C)c3C2)cc(S(N)(=O)=O)c1C 67919835 BMVWKCGSKAOEMT-UHFFFAOYSA-N 376.482 1.996 0 50 GDAA COc1ccc(CN2CCN(C(=O)C(C)(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72457754 XVZSLFAOYHSDRK-DLBZAZTESA-N 380.510 1.551 0 50 GDAA Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)CC2 171332485 ZWYFCIUPRCBWSS-HNNXBMFYSA-N 391.497 1.360 0 50 GDAA CNc1ccnc(N2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)n1 72479420 BPMYCVBSFYALQN-MRXNPFEDSA-N 387.484 1.609 0 50 GDAA C[C@H](C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)N1C(=O)NC2(CCCC2)C1=O 364418366 TWPWBILXYSSQLT-ZUOKHONESA-N 396.447 1.362 0 50 GDAA CCC[C@H](C)N1C[C@@H](C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)CC1=O 364496875 VPTRVEWKIISRQP-GJZGRUSLSA-N 377.485 1.554 0 50 GDAA Cc1ccc(C)c(CC(=O)N2C[C@@H](C(=O)O)C[C@@H](C(=O)N3CCOCC3)C2)c1 72149240 FQOXKINTEZUJIV-MSOLQXFVSA-N 388.464 1.254 0 50 GDAA CC[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262715979 GSEIYICXWZYURM-UONOGXRCSA-N 393.831 1.647 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC1(CO)CCCCC1)CO2 71751441 QHCVWRZFBIRKKY-MRXNPFEDSA-N 389.496 1.787 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)NC[C@@]3(O)CCCNCC3)c2)o1 72127380 CPFFNHBTYLGCAB-GOSISDBHSA-N 379.482 1.741 0 50 GDAA CCN(C(=O)c1cn2c(n1)CCCC2)C1CN(C(=O)c2cn3c(n2)CCCC3)C1 333415314 DXCNZVAUBVPXCF-UHFFFAOYSA-N 396.495 1.739 0 50 GDAA Cc1cc(N2CC[C@@H](NC(=O)COc3ccc(Cl)c(C)c3)C2=O)n(C)n1 174123160 NHPHBKPUNVNRFX-OAHLLOKOSA-N 376.844 1.991 0 50 GDAA Cc1cc2c(cc1CN1CCn3nc([C@H](O)CC(=O)N(C)C)cc3C1)OCO2 220521304 XNINDKWZLIAWEU-QGZVFWFLSA-N 386.452 1.448 0 50 GDAA CCOc1ccccc1CN(CCO)C(=O)NCC1CCN(C(C)=O)CC1 426431030 JIZKNEPEYVKQNS-UHFFFAOYSA-N 377.485 1.848 0 50 GDAA CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N1 239229147 UTLJNUDXVOWYRJ-JXXFODFXSA-N 379.501 1.500 0 50 GDAA CCOc1ccc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cc1 95388552 NQCVDAAOENTHOH-DLBZAZTESA-N 383.514 1.578 0 50 GDAA C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCOC[C@H]1c1nc[nH]n1 294252347 POZBAOIQIXFUSO-WMZOPIPTSA-N 399.499 1.098 0 50 GDAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1[C@@H]1CS(=O)(=O)C[C@H]1O 245255264 GRQGRDNNTWXKEE-TZMCWYRMSA-N 391.474 1.530 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O 252535756 GUCVUFLGYKMFSD-GLQYFDAESA-N 381.860 1.878 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OC)cc2OC)c1O 253623975 XDNHZWORMOVOCV-LLVKDONJSA-N 376.365 1.304 0 50 GDAA biogenic CC(C)Oc1cc(-c2ccc(C(=O)N3CCC(=O)NC[C@H]3C)cc2)nc(N)n1 534645512 ZGPPUAMMNGFWDK-CYBMUJFWSA-N 383.452 1.864 0 50 GDAA Cc1nccc(N2CCN(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)n1 184934476 YQVSRFZTIINVFX-AWEZNQCLSA-N 386.422 1.501 0 50 GDAA Cc1nc(C)n(CCCNC(=O)c2cn3c(n2)CCN(CC(C)(C)C)CC3)n1 1940195110 MAUZLGJWXZFTFG-UHFFFAOYSA-N 387.532 1.816 0 50 GDAA COc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)sc(=O)c2c1OC 824519389 FATQMICAIFLYJX-SNVBAGLBSA-N 397.474 1.443 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(C(C)C)=NO3)CC2)cc1 824684244 GVXFUWLHFQHFSQ-QGZVFWFLSA-N 395.481 1.329 0 50 GDAA CNS(=O)(=O)c1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 268909298 FOFNCWKJMUCDJA-UAGQMJEPSA-N 394.493 1.772 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)nnn1-c1ccc(OC(C)C)cc1 269036978 OSQJCHLAXCBXOF-INIZCTEOSA-N 388.424 1.679 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2cnccc2N(C)C)[C@@H]1c1cnn(C)c1 275222250 CCGZXSFEHULTER-MGPUTAFESA-N 386.500 1.207 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)Cc2cccc(OC)c2)C1=O 189161650 HUODKXSFCCSKLP-INIZCTEOSA-N 392.481 1.527 0 50 GDAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C1=O 189161941 IHBXDQANAPYYNS-OAHLLOKOSA-N 398.435 1.796 0 50 GDAA Cc1ccccc1Cn1c(S[C@H](C)C(=O)O)nc2c1c(=O)n(C)c(=O)n2C 5093153 VZSDNBRARPSZFB-LLVKDONJSA-N 388.449 1.356 0 50 GDAA biogenic O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(CC2CC2)CC1 11878566 IRGLHZYRHXXZPT-LJQANCHMSA-N 388.487 1.070 0 50 GDAA O=C(CC[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1)N1CCCC1 12585408 UBRPPOPAHVPSTI-INIZCTEOSA-N 397.475 1.924 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1ccc(F)c(C(F)(F)F)c1 14733025 NJSPKUHOHNQVRH-GDLCADMTSA-N 399.344 1.548 0 50 GDAA O=C(NCCc1nnc2n1CCN(Cc1ccsc1)CC2)[C@H]1CCCO1 14975000 RLEMMADUTJKTKI-OAHLLOKOSA-N 375.498 1.236 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1C[C@H]1CCCO1 15064011 DJXMOLYUIOCKOL-QGZVFWFLSA-N 393.513 1.668 0 50 GDAA COc1ccc([C@H]2CN(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CCO2)cc1 1857528462 GUZOFLSNDIKPPF-QGZVFWFLSA-N 388.449 1.797 0 50 GDAA COc1cccc(Cl)c1CN[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1 1857531401 QRNJPNHSDULZIK-GFCCVEGCSA-N 378.860 1.115 0 50 GDAA COC[C@@H](C)NC(=O)c1cc2c(s1)C1(CCN(CC(=O)O)CC1)OCC2 1857681509 LVBKSENUQZPGNW-GFCCVEGCSA-N 382.482 1.461 0 50 GDAA Cc1cccc(CCN2CC[C@@H](O)[C@]3(CCCN(C(=O)c4nonc4C)C3)C2)n1 1857684214 DCFKRNAJHAXGON-WIYYLYMNSA-N 399.495 1.613 0 50 GDAA Cn1ncc2c(N)nc(N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)nc21 1857685733 RIPQEBPCAHJBEP-IBGZPJMESA-N 379.424 1.199 0 50 GDAA Cc1cc(C)c(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c(-n2cccn2)c1 1857741457 UDZLVIMXEFVROU-SXLOBPIMSA-N 388.537 1.648 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@]2(C(=O)O)C1 247518197 KMGIEKXZSSZHJR-NHYWBVRUSA-N 376.837 1.257 0 50 GDAA CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 363296884 GITLPVKLIKCBAG-SFHVURJKSA-N 375.469 1.090 0 50 GDAA COc1ccc([C@H](NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c2nccn2C)cc1 498529660 QZUPOQUSGLLFAD-KURKYZTESA-N 397.479 1.780 0 50 GDAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 900984577 NRKFNVDQNOELPK-HPFXQQBRSA-N 386.414 1.883 0 50 GDAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)CC2 836955024 PBRNFJJYVRRFBA-CQSZACIVSA-N 383.326 1.833 0 50 GDAA CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1ncn2CC(C)(CO)CO 1875269275 RFSWFUMYUJKISR-UHFFFAOYSA-N 385.424 1.182 0 50 GDAA CN(C)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)[C@@]3(F)CCOC3)C2)cc1 1875303364 QLVSPAZDAKJVSB-FOIQADDNSA-N 377.460 1.850 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC([C@@H](O)C(=O)O)CC3)C2)cc1 1875307221 KXSJTJUGXUQVGM-ZWKOTPCHSA-N 388.464 1.531 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 1875402450 HAUPZPVENYKXJQ-BHIYHBOVSA-N 395.463 1.317 0 50 GDAA c1ccc(N2CCN(c3ncnc(N4CCC5(CCNC5)CC4)n3)CC2)nc1 2325796443 QKLOSONYQIXNTQ-UHFFFAOYSA-N 380.500 1.173 0 50 GDAA CN1CCC2(CC1)C[C@H](O)CN2C(=O)C[C@](O)(c1ccccc1)C(F)(F)F 2325810750 BKTPIPCJWSBSCQ-YJBOKZPZSA-N 386.414 1.884 0 50 GDAA NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 783812 NZELRDWZKMZQIQ-JOCHJYFZSA-N 378.428 1.858 0 50 GDAA CCCCCc1nnc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)s1 23581573 KWSFMUODZAFDMD-UHFFFAOYSA-N 375.520 1.816 0 50 GDAA NCCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67849861 OIEIAMVZLGIBAS-UHFFFAOYSA-N 399.451 1.767 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCC(C)(C)OC)c2)CC1 23358419 XNUGHTUQDQOGIQ-LJQANCHMSA-N 379.545 1.578 0 50 GDAA CCc1nc(CN(C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)no1 67756467 GDSDMSNTIBXUGX-IBGZPJMESA-N 376.432 1.757 0 50 GDAA Cc1ocnc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71749733 UDPFSJDPNKHOTG-INIZCTEOSA-N 390.484 1.158 0 50 GDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 328651485 VYFQAPWTSUUECD-MLGOLLRUSA-N 378.473 1.519 0 50 GDAA CCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c1=O 72161971 XOWSWZXMKQDACU-OAHLLOKOSA-N 375.469 1.496 0 50 GDAA C[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCN(C(=O)c2ccccc2)C1 363265902 JXSFKKKWCXMEOM-IPJJNNNSSA-N 385.508 1.908 0 50 GDAA O=C(O)c1ccc2c(c1)CCN(S(=O)(=O)c1cccc(-n3cnnn3)c1)CC2 364341864 URHSNZWENSXVKX-UHFFFAOYSA-N 399.432 1.150 0 50 GDAA O=C(CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)NCCc1ccccc1 125946737 UEDYLTDCRQHZDX-HXUWFJFHSA-N 381.476 1.363 0 50 GDAA COc1ccc(CC(=O)N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)nc1 376448813 KHSMNLCNANZTPN-INIZCTEOSA-N 399.495 1.594 0 50 GDAA Cn1cc([C@H]2CN(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CCO2)cn1 333287627 QSQUBMHSMQLFRW-RHSMWYFYSA-N 397.435 1.231 0 50 GDAA Cc1c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)nnn1C1CCNCC1 237596270 KMHVXRRHVNZVPG-OKILXGFUSA-N 378.521 1.129 0 50 GDAA C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NCCNS(=O)(=O)c1ccn(C)c1 242038527 VLUXHOCWUFHDSL-XLIONFOSSA-N 390.553 1.804 0 50 GDAA COc1cc(C(=O)N2CCC3(CCC(=O)N3)CC2)cc(OC)c1OCCCN 426374115 CPTWBYBAWKNHOJ-UHFFFAOYSA-N 391.468 1.316 0 50 GDAA CCOC(=O)C[C@H](NC(=O)CSc1nc(N)cc(O)n1)c1ccc(C)cc1 334163292 NOAHXJFASSHWOH-ZDUSSCGKSA-N 390.465 1.976 0 50 GDAA O=C(CC[C@H]1CCCN(C(CO)CO)C1)N1CCN(Cc2ccccc2)CC1 95501584 CAFMESOPZJFNDN-HXUWFJFHSA-N 389.540 1.176 0 50 GDAA COc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)cc1OCCCN 426635360 KYJZMVQEPRWLBI-CVEARBPZSA-N 375.469 1.506 0 50 GDAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 96166348 KQNPOLOBMFUZBB-UHFFFAOYSA-N 384.484 1.509 0 50 GDAA O=C(Cc1cc(F)ccc1F)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95382177 DGCKFYWIILOTCQ-IAGOWNOFSA-N 382.451 1.279 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)N[C@H](c3ncnn3C)C3CC3)CC2)c1 95358003 UOGNBOIKWBWYLQ-FQEVSTJZSA-N 382.512 1.903 0 50 GDAA O=C1NCCN(C(=O)c2ccc3c(c2)ncn3CCO)[C@H]1c1cccc(F)c1 97217617 VTPXCGZHXSYRQE-SFHVURJKSA-N 382.395 1.481 0 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COCc1nnc(N2C[C@@H](C(=O)NCCCn3nc(C)cc3C)CC2=O)s1 1857672960 BHOSOTQLXIQMEI-ZDUSSCGKSA-N 392.485 1.057 0 50 GDAA O=C(CO)N1CC[C@]2(C1)Cn1c(nnc1Cc1cccc3ccccc13)CO2 1857694933 ZYIQDDKIFHMENJ-NRFANRHFSA-N 378.432 1.516 0 50 GDAA COc1ccc2c(c1)OCCNC(=O)CN(CCC=C(C)C)CCCNC2=O 1857709919 YGSARNGQTIUMNC-UHFFFAOYSA-N 389.496 1.982 0 50 GDAA COc1ccc(Cc2nc([C@H]3C[C@H](N)[C@@H](O)C3)n(-c3ccccn3)n2)cc1OC 1857711956 AJTAURWXOJOUPG-JYJNAYRXSA-N 395.463 1.836 0 50 GDAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)n1 1857713215 LKFOURBQOWCDKS-BIZBXSGISA-N 380.448 1.899 0 50 GDAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CC(=O)N(c2nnc(C)s2)C1 1857714629 ZMKVGWDOMSIJLI-GFCCVEGCSA-N 390.469 1.899 0 50 GDAA Cn1cnc(C(=O)NC[C@H]2[C@H]3CN(c4ncc(Cl)cn4)C[C@]34CC[C@H]2O4)c1 1857719740 UHXLRBTVPFFYHZ-YRWGSWDYSA-N 388.859 1.277 0 50 GDAA CCCSCC(=O)NC[C@H]1[C@H]2CN(C3CCN(C)CC3)C[C@]23CC[C@H]1O3 1857720020 AMFSXVXXRSCJMT-JRBPQWBISA-N 381.586 1.819 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cc5c(nc4O)CCCC5)[C@@H]2CC(=O)N13 1857725856 PUKJNXNNYJRRMH-FVJLSDCUSA-N 385.464 1.864 0 50 GDAA CC(C)(CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)C1(O)CCOCC1 416401674 NCXGJCBNWVMQDI-UHFFFAOYSA-N 391.873 1.884 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3c[nH]c4ncccc34)C2=O)n(C)n1 266365661 TYLKDDJGQSLZJX-CYBMUJFWSA-N 388.453 1.079 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cccn1S(=O)(=O)c1ccccc1)C2 1704337787 ZMSKJZWVJAWPNU-WBVHZDCISA-N 389.477 1.014 0 50 GDAA CN(C)c1nc2sc(C(=O)N3CC[C@@H](C(=O)O)C[C@@H]3C(=O)O)cc2s1 1875357869 ZUBFFFUMOHGVBB-HTQZYQBOSA-N 383.451 1.814 0 50 GDAA COc1ccc(Cn2cc(CNC(=O)c3ccccc3CCC(=O)O)nn2)nn1 1875354307 UTYMKUMICFPMSJ-UHFFFAOYSA-N 396.407 1.072 0 50 GDAA C=CC(=O)N1CCN(C(=O)C[C@](O)(c2ncc(C)o2)C(F)(F)F)[C@@H](C)C1 1875381141 LKPKNKPANCTUTQ-BONVTDFDSA-N 375.347 1.368 0 50 GDAA CN1CC[C@@H](NC(=O)c2[nH]nc3c(=O)n(C)cnc23)[C@@H]1c1ccc(Cl)cc1 1875403839 GNSCHWQNRUVYPO-WBMJQRKESA-N 386.843 1.485 0 50 GDAA COc1ccc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1-c1ccnn1C 1875402542 IWNPMRFYWLGAGB-LSBZLQRGSA-N 395.463 1.862 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)NCc2ccns2)C[C@H]1C(F)(F)F 888092765 MYUDKNWBGUGRIX-NXEZZACHSA-N 386.421 1.107 0 50 GDAA COc1ccc(C(=O)Nc2cccc(O)c2)cc1S(=O)(=O)N1CCOCC1 704952 OEARAKUHIVDNCE-UHFFFAOYSA-N 392.433 1.674 0 50 GDAA CCOC(=O)c1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1 4727730 MJCHWSHZMARETP-UHFFFAOYSA-N 392.437 1.569 0 50 GDAA Cc1cnc2c(c1)N(C(=O)[C@H]1C[C@H]1C(=O)N1CCNc3ncc(C)cc31)CCN2 2325758091 RTYKLLXUHXDMJQ-GASCZTMLSA-N 392.463 1.947 0 50 GDAA CO[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 2325819255 AHXHBUCCDSELEW-BGTYHANMSA-N 399.534 1.385 0 50 GDAA O=C(N[C@@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1)c1ccc(F)c2c1CCNC2 2325858705 XTYGPOHAARFTSA-LJQANCHMSA-N 393.422 1.726 0 50 GDAA Cc1cccc2c(CCC(=O)NC3CCN(C(=O)Cn4ncnn4)CC3)c[nH]c12 2325869472 PKSIUYLONNBREW-UHFFFAOYSA-N 395.467 1.203 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2ccc(F)c3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325874940 BRZAGNCVRURTHV-BMIGLBTASA-N 394.424 1.770 0 50 GDAA Cc1ccccc1NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1sccc1F 2332237918 QNMSATZYRLSVJL-BXUZGUMPSA-N 396.465 1.977 0 50 GDAA Nc1nc(SCC(=O)NCCOCCO)nc2sc3c(c12)CCCC3 1827817 WMPGYDDRUXNOKQ-UHFFFAOYSA-N 382.511 1.370 0 50 GDAA Cn1c(CNc2ccc(C(=O)N3C[C@H](O)C[C@@H](O)C3)cc2)nc2ccccc21 2356143424 HCJJVMWYPUVSOJ-IAGOWNOFSA-N 380.448 1.753 0 50 GDAA Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc3ccccc23)n(C)c1=O 2391938 OHEDRDMXFLBFQR-UHFFFAOYSA-N 393.447 1.430 0 50 GDAA biogenic CC(=O)NCCC(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2356162385 AUPDCMHJDZWONM-YLJYHZDGSA-N 376.453 1.200 0 50 GDAA NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1 2901679 BOTJLZXCWJHEEE-SFHVURJKSA-N 399.428 1.978 0 50 GDAA CC(C)NC(=O)c1cn(CCN2CCN(C[C@@H](C)c3ccccc3)CC2)nn1 20322295 BNOPOFLYWCYEDB-GOSISDBHSA-N 384.528 1.838 0 50 GDAA CCc1noc(CN(CC)Cc2ccc(OCC(=O)N3CCOCC3)cc2)n1 55183139 OGLBIGWDMHPVDI-UHFFFAOYSA-N 388.468 1.892 0 50 GDAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@H]1CC(=O)NC(C)(C)C 67787202 YFVMFSAVJOHLCY-OAHLLOKOSA-N 375.469 1.661 0 50 GDAA COc1cccc(CS(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c1 328924231 NOCXIVGPMQJXAI-IRXDYDNUSA-N 382.482 1.237 0 50 GDAA CCCCc1nn(CC(=O)N2CCC[C@@H](O)C2)c(=O)n1CCc1ccccc1 77428096 UUHLNPIGRMIJBI-GOSISDBHSA-N 386.496 1.613 0 50 GDAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)COC[C@@H]3CCOC3)CC2)cn1 328624225 CHATXNFNYUTFSN-SJORKVTESA-N 376.501 1.994 0 50 GDAA COc1ccc(-c2n[nH]c(CNC(=O)N3CCN(c4cnccn4)CC3)n2)cc1 363252294 TXWAEZUNKAOJOM-UHFFFAOYSA-N 394.439 1.302 0 50 GDAA O=C(c1ccc(O)cn1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71750808 IUGTWJWLYSDIJS-INIZCTEOSA-N 386.496 1.726 0 50 GDAA Cn1ncc2c(N3CCC[C@@H](C(=O)NCCCO)C3)nc(-c3ccncc3)nc21 72457082 XQTFYNYKUQHDLC-OAHLLOKOSA-N 395.467 1.140 0 50 GDAA CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 262334006 WGGNUJBKRKODMW-KRWDZBQOSA-N 390.461 1.753 0 50 GDAA COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1C 72117505 RVTBEGBCURNNBI-AWEZNQCLSA-N 383.514 1.699 0 50 GDAA CCO[C@@H]1COCC[C@H]1NC(=O)CCSc1nnc(-c2ccncc2)o1 222869748 ZCXZXUHTZGETDZ-ZIAGYGMSSA-N 378.454 1.924 0 50 GDAA COCCN1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)C1 82115942 UCPBXFGSPKFYAD-HNNXBMFYSA-N 379.888 1.874 0 50 GDAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)sc21 20617051 PWJPRFZCEJGWET-UHFFFAOYSA-N 396.416 1.371 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC)cc3C)C[C@]2(C(=O)O)C1 96149277 HNYVPPQRZSIRMM-YJBOKZPZSA-N 382.482 1.172 0 50 GDAA Cc1cc(C)c(CN2C[C@H](CO)[C@H](CN(C)C)C2)cc1CN1CCN(C)CC1 91677417 GSABZTMGBVTOIP-DHIUTWEWSA-N 388.600 1.653 0 50 GDAA COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239433449 XSGQYDZTGQUPCG-PXQICXGYSA-N 380.400 1.465 0 50 GDAA O=C(c1cnc2ccccn2c1=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91965857 AETRPJUIELGNSS-NRFANRHFSA-N 380.448 1.559 0 50 GDAA Cc1ccccc1-n1cc(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)cn1 333707112 FVKJEOLCYKHBHP-SFHVURJKSA-N 381.480 1.607 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)C2CC2)CC1 95521514 CVESUQMTEPPPIR-UHFFFAOYSA-N 376.453 1.851 0 50 GDAA Cc1c(N)ncnc1NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299785277 ZIMXZTJTFVRTIJ-KRWDZBQOSA-N 388.516 1.129 0 50 GDAA Cc1sc2nc(CCNS(=O)(=O)c3cn(C)c(C)n3)nc(O)c2c1C 825273185 FLROIZFCGFRMIQ-UHFFFAOYSA-N 381.483 1.577 0 50 GDAA Cc1sc2nc(CCNC(=O)CSc3nnc(N)s3)nc(O)c2c1C 827847762 KJSGTXNOEQGMEM-UHFFFAOYSA-N 396.523 1.898 0 50 GDAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCS(=O)(=O)C2(CCCCC2)C1 270497227 CUSJKCSHTQGXKR-UHFFFAOYSA-N 388.493 1.905 0 50 GDAA CC(=O)N1CCc2c(ncn(Cc3cc(Cl)c4c(c3)OCCO4)c2=O)C1 275354785 AIKMHXKRFCENSS-UHFFFAOYSA-N 375.812 1.621 0 50 GDAA O=C([C@H]1COCCN1CC1CCC1)N1CCN(c2ncccc2Cl)CC1 170598478 QNRXYMMLHBIHFE-QGZVFWFLSA-N 378.904 1.885 0 50 GDAA O=C(CN1CCN(Cc2ncc(C(F)(F)F)s2)CC1)N1CCOCC1 279444795 RWPTWRXSDVMRJB-UHFFFAOYSA-N 378.420 1.138 0 50 GDAA O[C@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@@H]1Cc1cnccn1 1616085252 VCVYKMHMDUAOCM-ICSRJNTNSA-N 379.464 1.788 0 50 GDAA O=C(NCCN1CCCCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772813761 SEIFDSUFQOBWFD-OAHLLOKOSA-N 378.542 1.687 0 50 GDAA O=C(c1ccc2c(c1)CCO2)N1CCCN(c2nnnn2-c2ccccc2)CC1 1772806282 BCAUIYUXAXYNIW-UHFFFAOYSA-N 390.447 1.950 0 50 GDAA Cn1nccc1-n1nc(C2CCOCC2)nc1[C@@H]1Cc2ccccc2C(=O)N1 1772813903 ARUXQXIFOKXAJY-INIZCTEOSA-N 378.436 1.922 0 50 GDAA CC(C)OCCCNCc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 12301525 ZURCDZNFBAJTMT-HXUWFJFHSA-N 380.529 1.788 0 50 GDAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)CC1 12458167 MWQVJIDJOHJHDT-FQEVSTJZSA-N 385.508 1.229 0 50 GDAA CS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13323657 SXBPUOYNZNMTEU-UHFFFAOYSA-N 399.822 1.875 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]12 14753122 QMIYARVPGVADNM-RTBURBONSA-N 393.443 1.577 0 50 GDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1ccccn1)CC2 14755256 UVMWKRWFYKMUGW-UHFFFAOYSA-N 399.495 1.899 0 50 GDAA CCc1n[nH]c(CC)c1CC(=O)N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531598 PYOVOIWAYCHHIB-GOPGUHFVSA-N 379.892 1.883 0 50 GDAA Cc1ccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c(=O)n1C 1857726834 FDEJVTCXAAOPIA-HMFYCAOWSA-N 393.443 1.608 0 50 GDAA COc1cccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c1 20995850 FERPPBWRENHWEX-UHFFFAOYSA-N 386.500 1.243 0 50 GDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(OC)c(F)c2)CC[C@@H]1O 1704312226 GBPILMRYJPOUPM-HOCLYGCPSA-N 375.418 1.461 0 50 GDAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(-c4ccc(F)cc4)n(C)n3)C(=O)[C@H]2C1 1875291287 UGULCZDXSZYRGA-SWLSCSKDSA-N 386.383 1.946 0 50 GDAA CN(C)C(=O)[C@@H]1c2cnn(C)c2CCN1C(=O)c1cc(O)nc2ccc(F)cc12 1875394377 HEHFNQORKKWJMX-SFHVURJKSA-N 397.410 1.641 0 50 GDAA N[C@H]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc21 1875345421 ZZWIXFORLAQJBO-UONOGXRCSA-N 386.433 1.030 0 50 GDAA Cn1cc(CCC(=O)N[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)nn1 1875403216 SEHAUQARVVEKMQ-KFKAGJAMSA-N 394.479 1.567 0 50 GDAA O=C(NCCCn1ccc(O)nc1=O)[C@H]1Cc2cc(Br)ccc2O1 890925013 GJQLPAAZEQKRCG-CYBMUJFWSA-N 394.225 1.221 0 50 GDAA Cc1cc(CNS(=O)(=O)c2cc(Br)c3c(c2)OCCO3)n[nH]1 2325775884 VOOMZLONWMEIEG-UHFFFAOYSA-N 388.243 1.730 0 50 GDAA C[C@@H](O)[C@H](C(=O)O)N(C)S(=O)(=O)c1cnn(Cc2ccc(Cl)cc2)c1 2325851858 LLWCKENZKSNRPH-QMTHXVAHSA-N 387.845 1.039 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)[C@@H]4[C@H]5CCCC[C@H]54)cc3C2=O)C(=O)N1 2325890802 SYHHXFRULZCOAQ-GFIVTLFCSA-N 395.459 1.500 0 50 GDAA COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 1061991 BSEDSXQOANCGJS-UHFFFAOYSA-N 392.477 1.949 0 50 GDAA Cc1nnc2ccc(-n3nc(-c4cccnc4O)nc3[C@H]3CC[C@@H](N)CC3)nn12 2356138252 JZOFQPOYGNNPRY-BETUJISGSA-N 391.439 1.766 0 50 GDAA CC(C)c1cc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)nc(=N)[nH]1 2356164747 FRMDXAYVOVHROL-UHFFFAOYSA-N 391.479 1.893 0 50 GDAA COC(=O)c1cc(NC(=S)NCCCN2CCCC2=O)cc(C(=O)OC)c1 4551113 JQVBYMGZVPKDIQ-UHFFFAOYSA-N 393.465 1.559 0 50 GDAA O=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@H]1COCCO1)CC2 67786254 UZJCZIHCEIZNIN-GOSISDBHSA-N 399.447 1.514 0 50 GDAA CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1c(F)cccc1F 67620798 INIZHNLLFHJGTP-CYBMUJFWSA-N 379.315 1.668 0 50 GDAA CN(C)CCNC(=O)c1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2 65382779 MXHRQONVHLXADF-UHFFFAOYSA-N 379.468 1.528 0 50 GDAA CCN1CCCN(C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 71774786 UALAXSKOGDHCOD-OAQYLSRUSA-N 393.503 1.715 0 50 GDAA N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)[C@H]1O 72145795 WARREJJIQYGIMW-RTWAWAEBSA-N 380.444 1.893 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)c1 77301949 IQZBSBLUYZWMOZ-VWNVYAMZSA-N 393.443 1.924 0 50 GDAA CCOc1cc(CNc2ccnn2CCO)ccc1O[C@@H](C)C(=O)N(C)C 328593584 LUHXBFWGBWXEPT-AWEZNQCLSA-N 376.457 1.742 0 50 GDAA O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc2nnc(O)n2c1 478147234 IKGQRKASESUKGK-NSHDSACASA-N 382.298 1.797 0 50 GDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77422925 GZXDUWRQMASCRG-OOSNJVJTSA-N 397.406 1.754 0 50 GDAA CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 363171882 DXJVMNMKCOJLQL-AWEZNQCLSA-N 393.513 1.896 0 50 GDAA Cc1ncnc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1C 71765599 GFKIJZBOOCBHHM-FGZHOGPDSA-N 395.551 1.893 0 50 GDAA COCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71764047 VCSQHJZAAMEOBK-GOSISDBHSA-N 388.512 1.437 0 50 GDAA Cc1nnsc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77353464 GZDUBSQGJAHUPG-UTDUODGLSA-N 376.482 1.385 0 50 GDAA COc1cc2nc(CN3CCC(c4nc(=O)[nH][nH]4)CC3)nc(O)c2cc1OC 280994347 MAHOVOUUIDMDQS-UHFFFAOYSA-N 386.412 1.144 0 50 GDAA Cc1c(C(=O)NCCN2CCOC(C)(C)C2)nnn1-c1cccc2cnccc12 171712014 HIXHXHUXJBNANQ-UHFFFAOYSA-N 394.479 1.965 0 50 GDAA Cc1cc2nc(C(=O)NCc3cc4n(n3)CCN(CC(C)C)C4)cc(C)n2n1 215732499 FPAWVXZAQUURET-UHFFFAOYSA-N 381.484 1.944 0 50 GDAA Cn1nc(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)ccc1=O 14949243 KACLIVRBHMILKC-LBPRGKRZSA-N 381.358 1.593 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCCCC(=O)O)CO2 71575685 AOQVTENNTBBERU-CQSZACIVSA-N 377.441 1.347 0 50 GDAA O=C1NCC2(CN(C(=O)c3ccccc3S(=O)(=O)Cc3ccccc3)C2)N1 426662493 TYBKJWKYKBCRER-UHFFFAOYSA-N 385.445 1.168 0 50 GDAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCC[C@H](c2ncn[nH]2)C1 95496951 KBAJXIIVWLILGE-LBPRGKRZSA-N 378.458 1.896 0 50 GDAA NC(=O)C1(C(=O)N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)CC1 91416958 PFSCBBYKWOXLDS-QPJJXVBHSA-N 381.476 1.806 0 50 GDAA CC(C)(N)c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nn1 23580721 UGKCGVHNKAVMLX-GFCCVEGCSA-N 399.467 1.851 0 50 GDAA CS(=O)(=O)c1cnn2cc(CN3CCC(Oc4cccnc4)CC3)cnc12 97272483 KMMUBRPTQWGPPT-UHFFFAOYSA-N 387.465 1.571 0 50 GDAA Cc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)N2CCOCC2)o1 91548657 NXWPCDXEMNLTJT-GOSISDBHSA-N 381.436 1.972 0 50 GDAA O=C(c1cccn2c(O)nnc12)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 1342758567 QBCZDCQAYLPHBS-KGLIPLIRSA-N 379.420 1.557 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1nn(C)c2ccccc12 1118844879 LKYHVXODSKXCRJ-CYBMUJFWSA-N 387.465 1.999 0 50 GDAA CCNC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cc1Cl 952980772 FTCHAZUMSJZUBC-OAHLLOKOSA-N 380.876 1.627 0 50 GDAA 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396.447 1.302 0 50 GDAA Cn1ccnc1COc1ccc2c(c1)CCOC21CCN(S(C)(=O)=O)CC1 1857671246 RECXVYNKQCVASG-UHFFFAOYSA-N 391.493 1.823 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]12)c1cccnc1 1857688223 XSDRXDCUYGVKGT-ZCNNSNEGSA-N 397.500 1.076 0 50 GDAA O=C(C1CCOCC1)N1CC[C@]2(C1)Cn1c(nnc1Cc1cccnc1)CO2 1857689474 QODMIKOTPSEAFH-FQEVSTJZSA-N 383.452 1.192 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cncn3C)CC(=O)N2[C@H]1c1ccccc1 1857717271 OWPNJWMBUDBZQX-MPGHIAIKSA-N 382.420 1.007 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)[nH]1 1857728941 GQWAVEOPLYSGLI-OPYAIIAOSA-N 379.416 1.598 0 50 GDAA O=C(NC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1)c1ccc(Cl)o1 328605012 LXGSYFHHAULENI-LBPRGKRZSA-N 392.843 1.594 0 50 GDAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(-n4nccn4)nc3)cn2)C[C@@H](C)O1 915144877 GKPBAHLLWCJDMT-ZIAGYGMSSA-N 379.424 1.923 0 50 GDAA C[C@H](C(=O)N1CCC(C(=O)N2CCC[C@@H]2C(N)=O)CC1)C1CCC(C)(O)CC1 1875263463 IEKXSKAKRFEMPM-FBZXTUTASA-N 393.528 1.279 0 50 GDAA C=CC(=O)N1CCn2ncc(CNC(=O)[C@@H]3CC(c4ccccc4)=NO3)c2C1 1875389116 CBOLJZSLDRCLKJ-SFHVURJKSA-N 379.420 1.221 0 50 GDAA CC[C@@H](CC(F)F)C(=O)N1CCOC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 1775992007 NVKLIHNYRHHMCF-UONOGXRCSA-N 398.454 1.858 0 50 GDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CNS(=O)(=O)c3cccs3)C[C@H]2C1 2100558522 SXHSPUZTCABCTH-NMWPEEMBSA-N 385.555 1.604 0 50 GDAA C[C@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1NC(=O)CN(C)C1CCC1 2325808598 HICHZKUIOTZPET-IFXJQAMLSA-N 383.496 1.553 0 50 GDAA CCN=c1cc(C)nc(N2CCN(c3ncc(C(=O)OCC)s3)CC2)[nH]1 2325824799 QITRHEGJWBKZEO-UHFFFAOYSA-N 376.486 1.599 0 50 GDAA NC(=O)COc1ccc(Br)cc1CNCCCN1CCOCC1 4858417 GYBFTZXPUYDNEM-UHFFFAOYSA-N 386.290 1.125 0 50 GDAA CN(C)c1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)nc1 225530840 YAFBGVRIFQLUSW-UHFFFAOYSA-N 391.421 1.945 0 50 GDAA Cn1cnc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 225533993 BHEPRZFFJPEKEN-UHFFFAOYSA-N 397.888 1.186 0 50 GDAA NC(=O)C1(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 55384953 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COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)s1)CC2 95525955 UMZXOPGOJWOROR-UHFFFAOYSA-N 388.493 1.942 0 50 GDAA CC(C)c1nc(CN2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 95526446 VCSCHISLPNEIRP-CVEARBPZSA-N 391.497 1.071 0 50 GDAA Cc1nc(-c2nc(-c3ccc[nH]c3=O)n([C@H]3CCS(=O)(=O)C3)n2)cs1 96151316 BDOWFJBLBJLDHQ-JTQLQIEISA-N 377.451 1.425 0 50 GDAA CCOC(=O)[C@@H]1CCCN(C(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)C1 263617976 QSMPRWPCQOCKIZ-CQSZACIVSA-N 395.419 1.912 0 50 GDAA Cc1cccnc1CNC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534590034 BTNYATRIYISLEY-UHFFFAOYSA-N 382.468 1.728 0 50 GDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccn1 299782981 NSYFRSTXDKEZLS-GOSISDBHSA-N 386.496 1.161 0 50 GDAA COc1ccc(NC(=O)c2ccc(Cn3nnnc3C)cc2)cc1C(=O)N(C)C 824704466 XDUFZGCMFWBSLO-UHFFFAOYSA-N 394.435 1.993 0 50 GDAA CC(C)[C@@H]1CN(C(=O)[C@@H]2[C@H](O)C(=O)N(C)[C@H]2c2cnn(C)c2)c2ccccc21 1349747545 YQCPBHPWWVGBRO-WNHJNPCNSA-N 382.464 1.697 0 50 GDAA O=C(C1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 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CN(CCc1ccccn1)C(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1cn[nH]c1)C2 1857699705 WCXSIJKLRGVIIP-RXVVDRJESA-N 396.495 1.233 0 50 GDAA COc1ccc(-c2nc(CNS(=O)(=O)C[C@H]3COCCO3)c(C)o2)cc1O 1857700185 BPJRPNZBEKCOMT-CYBMUJFWSA-N 398.437 1.199 0 50 GDAA Cc1ncncc1-c1nnc2n1C[C@@]1(CCN(C(=O)c3ncoc3C)C1)OC2 1857706315 DVYBOBZEDUCJDN-SFHVURJKSA-N 381.396 1.155 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4CCS(=O)(=O)CC4)CC3)nc2n1 1857708316 NDNRQMZWWNHRHI-UHFFFAOYSA-N 378.454 1.005 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857727733 YZCVOWNYOHCOHC-FVJLSDCUSA-N 378.432 1.813 0 50 GDAA O=C(CCCn1cccn1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857730405 OXMLJBBLQVOLLG-UEXGIBASSA-N 380.448 1.964 0 50 GDAA COc1ccccc1OCC(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857736691 WSXMRKCCZOMPIY-ICSRJNTNSA-N 388.468 1.338 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c(N4Cc5nc(C)nc(O)c5C4)nc(C)nc32)C1 1875250814 JJJCBMJUEYSLKV-OAQYLSRUSA-N 394.479 1.936 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc2nc(O)n(C)c2c1 442229429 LXYKSXMKNXYVLB-UHFFFAOYSA-N 391.405 1.715 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 128474382 KSAIWCBFNKUJLC-UHFFFAOYSA-N 376.417 1.083 0 50 GDAA O=C(NC1(C(=O)O)CCC1)[C@@H]1CCN(c2ccccc2Br)C1=O 237947466 WJSCUMJIHXXXOQ-JTQLQIEISA-N 381.226 1.926 0 50 GDAA O=C(NCC1(C2(O)CCOCC2)CC1)[C@H](c1ccccc1F)N1CCOCC1 928670070 JGIKICZEEWASBM-SFHVURJKSA-N 392.471 1.637 0 50 GDAA Cc1cc(C(=O)NCCCc2nc(O)n[nH]2)ccc1I 952875950 KQUWIBRTSLCASR-UHFFFAOYSA-N 386.193 1.786 0 50 GDAA CC(=O)N1CCN(c2cc(CNC(=O)[C@@H]3Cc4c(F)cccc4N3)ccn2)CC1 1875320667 UPVBQXNJNNHIRU-IBGZPJMESA-N 397.454 1.542 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3nccc(N(C)C)n3)C2)c1C 1875301952 YVSMOXTWHOPJNG-CQSZACIVSA-N 384.488 1.342 0 50 GDAA Cn1cc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)ccc1=O 1875402409 FPPVCTMHHQQOKX-KFKAGJAMSA-N 392.459 1.818 0 50 GDAA C[C@H]1CC[S@](=O)CCN1S(=O)(=O)c1ccnn1CCc1ccccc1 888100767 QEDNUGJARFUAEA-OWJWWREXSA-N 381.523 1.657 0 50 GDAA Cc1ncc(NC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1C(N)=O 1476980964 QFTNNRXJZOUALO-UHFFFAOYSA-N 383.452 1.989 0 50 GDAA CCOC(=O)c1c[nH]c(-c2ccc(Cl)cc2)nc1=N[C@@H]1CCC(=O)NC1=O 1857797702 BFGZFHVMYCNFFB-CYBMUJFWSA-N 388.811 1.613 0 50 GDAA Cc1cccc(N2CCC[C@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2=O)c1 2325785239 LMLLSHBPZMCLQG-IRXDYDNUSA-N 390.459 1.735 0 50 GDAA CC(C)c1cnc(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)o1 2325893872 GHXSWBZXETUPRT-CQSZACIVSA-N 397.387 1.778 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)[C@H]1O 2356154848 MPJWRMGBPXVFMD-DLBZAZTESA-N 379.844 1.495 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1F 4502513 GULPQNPHOLZKER-UHFFFAOYSA-N 394.424 1.864 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(O)cc1 4868813 VRJUEQJVWLUNTA-UHFFFAOYSA-N 376.434 1.974 0 50 GDAA CC(C)OCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55227675 ROKUOPBBCRZOIZ-INIZCTEOSA-N 385.867 1.711 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CNCCS(C)(=O)=O)C2=O)cc1 67679298 BVQOCOBZYBKEQH-IBGZPJMESA-N 382.526 1.298 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)c3cc4ncc(CCO)cn4n3)CC2)nc1 67650500 LGQSWCOIHYPWKO-UHFFFAOYSA-N 381.436 1.091 0 50 GDAA C[C@]1(c2ccc(-c3noc([C@@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)cc2)NC(=O)NC1=O 351407483 HTHMQTSMTVSTFR-KBSBABRBSA-N 393.403 1.162 0 50 GDAA CC[C@H](C)NC(=O)C(=O)N1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 67817278 HIDKEEFRAIUQQA-HNNXBMFYSA-N 380.533 1.129 0 50 GDAA CCCc1cc(CNC(=O)c2ccc(N3CCNC(=O)[C@@H]3C(C)C)nc2)on1 39489888 WWBRZBNHUGLWBQ-SFHVURJKSA-N 385.468 1.913 0 50 GDAA COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 72437285 UIPKDLABNWYRGV-CYBMUJFWSA-N 399.513 1.399 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)o1 12314079 AJAJOGBWLNEQHB-QGZVFWFLSA-N 399.447 1.463 0 50 GDAA CO[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)C1 214966262 FQSVOCCZYTYPNN-OAHLLOKOSA-N 379.438 1.404 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CCCN1Cc1ccc(F)cc1 71753522 GJEVFPAYSBOGHT-QGZVFWFLSA-N 388.443 1.987 0 50 GDAA CCn1c(CC2CCN(C(=O)[C@@H]3CCCN4CCCC[C@H]34)CC2)n[nH]c1=O 71771453 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CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2nnnn2-c2ccccc2)c1 426370627 SJIDIGSYMTZHAR-AWEZNQCLSA-N 378.436 1.926 0 50 GDAA CCNc1ncc(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)s1 288427655 OKTXTDPGYMVRNM-UHFFFAOYSA-N 380.495 1.682 0 50 GDAA O=C(c1ccc2nn[nH]c2c1)N1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 426545099 PQYBOMSTLPYCDP-JLTOFOAXSA-N 383.452 1.749 0 50 GDAA O=C(NC1c2ccccc2-c2ccccc21)N(CCO)[C@H]1CCS(=O)(=O)C1 426414439 CSHAIHZWUITPOL-AWEZNQCLSA-N 386.473 1.947 0 50 GDAA CNC(=O)c1cc(NC(=O)NCCc2noc([C@@H]3CCCO3)n2)ccc1F 97756475 LBJWJZGLUXLSSE-ZDUSSCGKSA-N 377.376 1.784 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(-c3nc[nH]n3)cc1)CC2 91677343 ITLORRCZMBNDIB-UHFFFAOYSA-N 377.452 1.814 0 50 GDAA CCCc1nc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)no1 426523743 WRHDCJPOFLFBGI-AWEZNQCLSA-N 375.477 1.367 0 50 GDAA CN1CCN(Cc2noc([C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1 91694712 IERGELJRGZPKKA-MRXNPFEDSA-N 387.459 1.862 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)cc2)C(=O)N1 97553168 UXBYLAQSHIVFJL-INIZCTEOSA-N 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O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc2c(n1)CCCC2 1875402941 OSSVQGWQUPUCFQ-UXEPBGEESA-N 375.860 1.775 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnn(C)c2)CC[C@H]1NC1CCOCC1 2100539643 RGVNEBDDSYVZPW-QXAKKESOSA-N 378.517 1.769 0 50 GDAA COc1ccc([C@H]2NC(=O)[C@H]3COC4(CCC4)CN3C2=O)cc1Br 2325809006 QRQJWDILCZRHPS-TZMCWYRMSA-N 395.253 1.779 0 50 GDAA COc1ccnc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356137674 VBIZKFHIRPJIHV-QYWGDWMGSA-N 387.480 1.991 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CNCCOC3)CC1)OCC2 2356144960 UHWZBKOOPSQUNP-INIZCTEOSA-N 390.480 1.330 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1CCC(Cc2ccccc2)CC1 246205660 OFRQOVOKECGVRU-LFGUQSLTSA-N 382.460 1.630 0 50 GDAA C[C@H](COc1ccc2ccc(=O)oc2c1)NC1CCN(S(C)(=O)=O)CC1 67822018 UMYZVJCAGUPWQO-CYBMUJFWSA-N 380.466 1.574 0 50 GDAA CC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C1 77469764 YRDQPRUBHGSUQZ-OAHLLOKOSA-N 379.526 1.554 0 50 GDAA COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 3607120 XUBOMFCQGDBHNK-SNVBAGLBSA-N 375.400 1.980 0 50 GDAA aggregator,biogenic,fda CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCc3ccccc3C2)s1 72442434 VXLIAEIZEDHGCU-UHFFFAOYSA-N 395.510 1.223 0 50 GDAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 328639736 XBKIKNRIIQGQTC-UHFFFAOYSA-N 389.437 1.395 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H](O)CN2CCOCC2)ncn1 328626896 FOYKMPXCOQNADT-MDZRGWNJSA-N 379.505 1.197 0 50 GDAA CN1CCN(C(=O)Cc2c(Cl)cccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 77486094 XZDIJDNAPGGAFT-KGLIPLIRSA-N 377.293 1.476 0 50 GDAA Cn1nccc1N1CCC[C@H](NC(=O)N2CCC3(C2)Oc2ccccc2O3)C1 365793027 HHHJLFQURBUCQO-HNNXBMFYSA-N 383.452 1.972 0 50 GDAA CN(Cc1cccc(O)c1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72407877 JIFSECXDMCUGHB-AWEZNQCLSA-N 376.482 1.689 0 50 GDAA CN(CC(=O)Nc1ccc2c(c1F)CCNC2)S(=O)(=O)c1ccccc1 261821492 XZMGVXPQEWPGTN-UHFFFAOYSA-N 377.441 1.731 0 50 GDAA Cn1cnnc1C1CCN(c2nc(-c3cccnc3)nc3c2cnn3C)CC1 72137118 UGMHYVJAWJGZGV-UHFFFAOYSA-N 375.440 1.938 0 50 GDAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(N[C@H](C)C(C)(C)O)cc12 14535776 GXJRXZAERZAGCM-SNVBAGLBSA-N 378.429 1.516 0 50 GDAA CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C(N)=O)n[nH]c1C(C)C 457132098 UINUSKUWSCNHNP-UHFFFAOYSA-N 378.454 1.850 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C)C2 426628279 NVQVFUJVCQSYMM-LJQANCHMSA-N 381.480 1.233 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ccccc2)C(=O)C1 91873327 HFZMTYDBFCROCQ-UHFFFAOYSA-N 376.416 1.731 0 50 GDAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)cc2)n1 95508310 UJUHVZYVBOFQOA-HNNXBMFYSA-N 379.438 1.107 0 50 GDAA Cc1nc(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n[nH]1 95502339 NDEWKXWXFIAFRB-UHFFFAOYSA-N 397.483 1.081 0 50 GDAA Cc1cc(C)nc(N2CCN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)CC2)n1 23478524 QCRODCXWLXXWDU-RTWAWAEBSA-N 393.535 1.952 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3nccn3C)CC2)c(C)o1 162642292 ZDHQFFQQXQLAHG-UHFFFAOYSA-N 380.470 1.325 0 50 GDAA Cn1cccc1C(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 95509449 WGAJDCJJRFSIHO-KRWDZBQOSA-N 375.494 1.997 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N(C)CCCc1nccn1C 244899596 ZMOVSGABQZHFPV-UHFFFAOYSA-N 382.461 1.237 0 50 GDAA Cc1cccn2c(CC(=O)N[C@H]3C[C@@H](c4cc(O)nc(N(C)C)n4)C3)cnc12 253535327 LDIYPMRMMIXYCN-OKILXGFUSA-N 380.452 1.809 0 50 GDAA CCOc1c(F)cccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 183554941 KMPKNEVQFZPYIZ-UHFFFAOYSA-N 384.473 1.559 0 50 GDAA COCc1c(C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)noc1C 299793696 JIZIKQKKNONFSE-UHFFFAOYSA-N 375.429 1.254 0 50 GDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 584892680 YERLVKIYLUIDBM-ZDUSSCGKSA-N 383.518 1.102 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c2ccccc2c1=O 888088860 UUASTJDLXFRYMH-ZQIUZPCESA-N 380.448 1.407 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)Cn3c(=O)oc4ccccc43)cc2C1=O 952978775 SMEOVELOEGQZFE-UHFFFAOYSA-N 396.403 1.290 0 50 GDAA C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2I)CCCO1 408486866 UMUOCOZMBWVFLU-LBPRGKRZSA-N 395.218 1.665 0 50 GDAA O=C(c1cc(F)ccc1F)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 1565509256 GCFSNYFQNDZPCL-BUXKBTBVSA-N 380.391 1.602 0 50 GDAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)CCc1cnn(C)c1)CC2 277570132 FAAVVKMIHKCDGV-MRXNPFEDSA-N 387.436 1.971 0 50 GDAA CCc1ccccc1CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 188439863 DAIXUBYKIOIQJD-UHFFFAOYSA-N 395.507 1.767 0 50 GDAA CC(C)N1CCC(N2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)CC1 1615633252 SSRRPYFBXGABTL-SFTDATJTSA-N 387.572 1.512 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(Cc2cccnc2N)CC1 1529117902 DEHKGMUITHFHHP-INIZCTEOSA-N 375.473 1.319 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]12 1704338413 UHOMUXUUFHWBET-UTKZUKDTSA-N 385.464 1.825 0 50 GDAA COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc(C(=O)N(C)C)c1C 13322486 HBTOOTNMKMZPAS-PHIMTYICSA-N 397.497 1.593 0 50 GDAA COCCSc1nnc(CCNC(=O)c2ccc(OC)c(OC)c2)n1C 14984053 XPALJANKGFUMBH-UHFFFAOYSA-N 380.470 1.543 0 50 GDAA O[C@H](COc1ccccc1)CN1CCN(C[C@H](O)COc2ccccc2)CC1 19229514 YHIJMIBVSIPDAN-PMACEKPBSA-N 386.492 1.484 0 50 GDAA COCCN1CC[C@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 150859283 VAHVXNHYCVUEBP-GFCCVEGCSA-N 382.404 1.832 0 50 GDAA O=C(N[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1O)C1CCOCC1 1857701245 JGCWFAPRYRYSJP-CVEARBPZSA-N 388.493 1.688 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(Cc3ccncc3)CC(=O)N2[C@@H]1c1ccccc1 1857702345 JSSKNYUDUKYGMB-SFHLNBCPSA-N 378.476 1.992 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCCc3ccc(O)cc3)CC2=O)s1 1857708950 VWBMIAOPRFNLAJ-ZDUSSCGKSA-N 390.465 1.492 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CN2CCCCC2)cn1 1857716254 DMEFOBOBZULPTB-FPOVZHCZSA-N 389.544 1.660 0 50 GDAA O=C(Cc1ccc(O)cc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857734356 QAMMIQQTTBACJS-UNMCSNQZSA-N 397.475 1.631 0 50 GDAA CS(=O)(=O)Nc1cnc2c(c1)CN(C(=O)c1ccc3c(c1)CCCO3)CC2 1857740533 RQWWGEJBAFDHPQ-UHFFFAOYSA-N 387.461 1.977 0 50 GDAA COc1cc(-c2cc(=NC(=O)CCc3cnccn3)[nH][nH]2)cc(OC)c1OC 1875241550 FNAKKEPFUCVLPP-UHFFFAOYSA-N 383.408 1.886 0 50 GDAA Cc1ccc(N2CCCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)nn1 109636372 AMUCZSJMWFIOPD-UHFFFAOYSA-N 381.415 1.857 0 50 GDAA CN1CCN(C(=O)c2cn(CCNC(=O)c3ccc(C(C)(C)C)cc3)nn2)CC1 14988032 IQOWOOOJUUDNCS-UHFFFAOYSA-N 398.511 1.393 0 50 GDAA COc1cccc(C(=O)NCC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 363286214 FHURANHKTNLPEE-KBXCAEBGSA-N 381.432 1.735 0 50 GDAA O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1OCCc2ccccc21 158470722 DERLBGQNRXJAIH-JOCHJYFZSA-N 393.487 1.761 0 50 GDAA O=C(CN1CCc2ccccc2C1)N1C[C@H]2COC[C@@H](C1)CN2Cc1cnc[nH]1 1704330950 MJPCTJGVFDDAQC-UTKZUKDTSA-N 395.507 1.127 0 50 GDAA Cn1nccc1[C@@H]1[C@@H](NC[C@@H](O)C[C@@H](O)c2ccccc2)CCC(=O)N1C1CC1 905534510 SJJMYFGJXGAQLO-RUOSDFBUSA-N 398.507 1.689 0 50 GDAA NC(=O)c1c(NC(=O)COC(=O)CCCC(=O)C2CC2)sc2c1CCC2 838152424 ICLFHBWTIKYRCO-UHFFFAOYSA-N 378.450 1.967 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)(c2ccccc2)CC1 848032579 KKBUYFQNFOOWIG-AEFFLSMTSA-N 397.475 1.690 0 50 GDAA COCCn1nnc2c1C[C@@H](c1nc(-c3cnn4c(C)cc(C)nc34)no1)CC2 952895429 VKOAUBIOSDFTBW-ZDUSSCGKSA-N 394.439 1.907 0 50 GDAA CCN(CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(C3CCCC3)C2)C1 1875293687 ZHUBHXOGUQPWDX-PKOBYXMFSA-N 378.561 1.700 0 50 GDAA C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)c2nnn3ccccc23)CC1 1875281764 VSZCDFPRODUYIR-CQSZACIVSA-N 396.426 1.653 0 50 GDAA C=CC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 1875386315 MTNBQSCBCNJFNM-HKUYNNGSSA-N 399.491 1.346 0 50 GDAA O=C(COc1ccc(-c2nn[nH]n2)cc1Cl)N[C@@H]1C(=O)NCc2ccccc21 1875340511 FNMLYSAWPKKJOV-INIZCTEOSA-N 398.810 1.386 0 50 GDAA O=C(N1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1)[C@@]1(O)CCOC1 1875396152 XGBWZGXQLWFHOY-QWHKJSHPSA-N 394.493 1.329 0 50 GDAA Cn1ccc(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3Cc4cc(F)ccc4O3)C2)n1 1875306657 BDMRFBZWXKUSMW-XZOAIXRZSA-N 386.427 1.116 0 50 GDAA COc1cccc(CC2(NC(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c1 1875397047 JBDVQNVIJYRUAJ-UHFFFAOYSA-N 378.494 1.845 0 50 GDAA COCCN1C=C(C(=O)OC)C(c2ccc3c(c2)OCO3)C(C(=O)OC)=C1 2459181 ZDIBMHLVXXKYMG-UHFFFAOYSA-N 375.377 1.575 0 50 GDAA Cc1ccc2c(c1)N(C)CCN2S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1 2325783939 NBDJBOPWPAEOHW-UHFFFAOYSA-N 384.465 1.924 0 50 GDAA CC(C)C(=O)N=S1(=O)CCC2(CC1)CN(C(=O)c1ccsn1)CCO2 2325785336 QKFPRTLVLJAINK-UHFFFAOYSA-N 385.511 1.799 0 50 GDAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNc2nccc3cccnc23)ncn1 2325785470 ALSWQXAQZRRCHZ-HZPDHXFCSA-N 379.468 1.928 0 50 GDAA COc1ccc(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1-c1ccn(C)n1 2325785956 VTGLCFPPPWTJAA-NIKGAXFTSA-N 395.463 1.862 0 50 GDAA CCn1cc(C(=O)NC[C@H]2CCS(=O)(=O)[C@@H](C)C2)c(-c2cnn(C)c2)n1 2325786615 HLKBEPRUOFREMX-STQMWFEESA-N 379.486 1.247 0 50 GDAA Cc1noc([C@H]2CN(C3CN(C(=O)c4nn5c(c4C)CCCC5)C3)CCO2)n1 2325792597 XEDFJTAWFQTSJH-MRXNPFEDSA-N 386.456 1.117 0 50 GDAA CCOC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 2325824078 OMNXUZMAJGVWSL-QGZVFWFLSA-N 398.415 1.930 0 50 GDAA CCOc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1 1110036 XOBJLVQWKJUKAL-UHFFFAOYSA-N 391.449 1.589 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)CCn2c(CO)nc3ccccc32)C[C@@H]1O 2356152135 BUHFAADQCBEOIR-JXFKEZNVSA-N 389.452 1.383 0 50 GDAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 4938069 ZGOCDYFSHNQORM-UHFFFAOYSA-N 377.422 1.695 0 50 GDAA CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@@H](C(=O)OC)c1ccccc1 8624687 GSDBDVQHYYYBRL-BXUZGUMPSA-N 376.438 1.253 0 50 GDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 100099726 RPUQRSHAEQDGBF-KDURUIRLSA-N 381.476 1.672 0 50 GDAA CC(=O)N[C@H]1CCN(Cc2nnc(CC3CCNCC3)n2-c2ccccc2)C1 55414570 UBEAQQDFWJAXMD-SFHVURJKSA-N 382.512 1.520 0 50 GDAA CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)Cc2cnc3ncnn3c2)s1 23153372 BHTBUFPVJFSLHW-CYBMUJFWSA-N 384.465 1.794 0 50 GDAA O=S(=O)(c1ccccc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530851 ORJWYRWYJOGFHN-UHFFFAOYSA-N 391.472 1.727 0 50 GDAA NC(=O)c1cncc(NCc2cccnc2N2CCN(c3ccccn3)CC2)n1 67851398 APAULMIYDJDMSO-UHFFFAOYSA-N 390.451 1.304 0 50 GDAA COc1cccc(CN(C)c2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)c1 77427868 SAFDXIDPHPYXTN-HNNXBMFYSA-N 390.509 1.992 0 50 GDAA COC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 1425506 COUYHCXOKZUQFP-UHFFFAOYSA-N 385.376 1.103 0 50 GDAA O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77538919 MLVALFFYDPJQCV-QGZVFWFLSA-N 378.494 1.829 0 50 GDAA O=C(COc1ccccc1)N1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 171663026 ZSMYTDPAYZOSAY-SFHVURJKSA-N 397.479 1.759 0 50 GDAA CC(C)[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1nc(C2CC2)no1 153131505 CQTZHUFJJYUEDG-TZMCWYRMSA-N 381.458 1.781 0 50 GDAA O=C(Cc1ccc(-n2cccn2)cc1)N1CCn2c(nn(CC(F)F)c2=O)C1 364185655 HOYPJYSDFNVHNC-UHFFFAOYSA-N 388.378 1.081 0 50 GDAA O=C1CN(Cc2cc(Cl)ccc2OC[C@@H](O)CN2CCCCCC2)CCN1 12591323 YSMIKIKOFMQVGP-SFHVURJKSA-N 395.931 1.888 0 50 GDAA Cc1ccc(-n2[nH]c(C(=O)N3CCC4(CC3)SCC(=O)N4C)cc2=O)cc1 371834881 OAEPBLUSWXSWGT-UHFFFAOYSA-N 386.477 1.612 0 50 GDAA NC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72153472 CPQNDNFSDHTIQF-IBGZPJMESA-N 394.475 1.036 0 50 GDAA O=C(NC[C@H](C(=O)O)C1CCOCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 262846071 CRJKXMLXPUGFBF-MSOLQXFVSA-N 388.464 1.782 0 50 GDAA CC(=O)NCCC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72477884 FKVLVVMCZUNGNS-MRXNPFEDSA-N 376.505 1.033 0 50 GDAA Cc1c(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)nnn1C1CCNCC1 237394619 KMHVXRRHVNZVPG-ZIAGYGMSSA-N 378.521 1.129 0 50 GDAA CCc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1 241132948 JNMWHORAJMZHOZ-UXLLHSPISA-N 379.482 1.595 0 50 GDAA Cc1c(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cnn1C 71764520 SNFPJBKONOEPPS-KRWDZBQOSA-N 387.528 1.458 0 50 GDAA COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 44193232 AJFDCAOBHKCOEB-UHFFFAOYSA-N 394.493 1.886 0 50 GDAA CN(C[C@@H]1CCCCO1)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 71760070 LMYOQXXUVQQZOJ-INIZCTEOSA-N 381.480 1.894 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H](C)c1cnn(C)c1C)C2 284130277 UIYHAAFNAVKUSE-LBPRGKRZSA-N 391.497 1.466 0 50 GDAA COc1ccccc1N1CCC(NC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 174217574 ONAONMVKVKUGAT-UHFFFAOYSA-N 398.511 1.929 0 50 GDAA COc1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)c(OC)c1 137249301 YTTFWQITQHHNPH-QGZVFWFLSA-N 382.445 1.210 0 50 GDAA CCc1noc2ncc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)cc12 194704477 CMAFLPVXVXJDMX-UHFFFAOYSA-N 380.452 1.862 0 50 GDAA CCCS(=O)(=O)N1CCC(NC(=O)N2CCCO[C@H](C(C)C)C2)CC1 457636162 JYINDGSGTCFDTA-INIZCTEOSA-N 375.535 1.647 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cnc3ccccc31)C2 220676736 UOFCRCKLFNCJLV-FQEVSTJZSA-N 391.435 1.090 0 50 GDAA O=C([C@@H]1CCCN1C(=O)C1CCCC1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 333681823 FIFJGCCBUBHLLS-SJORKVTESA-N 396.495 1.923 0 50 GDAA C[C@H]1CN(CCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)C[C@@H](C)O1 91624709 CUYCXGJZFFPKOX-LLGFUMIMSA-N 377.529 1.737 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccccc3c1)C2 91756510 KLEGCOLPYKPLQE-RBUKOAKNSA-N 379.460 1.991 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccn1)C2 95361121 SUXBMLYMPXCZHU-LSDHHAIUSA-N 383.477 1.727 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1coc(-c3ccccc3)n1)C2 95518321 URZONJUNAGCZHX-FUHWJXTLSA-N 382.464 1.853 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCCN(Cc2cccnc2)C1 91645589 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Cc1ccc(CC(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)cn1 276387941 JPKKRQQGHWTJBH-KRWDZBQOSA-N 384.484 1.227 0 50 GDAA CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 170652009 LVKFCXVWSBJHTM-GFCCVEGCSA-N 379.404 1.351 0 50 GDAA Cc1sc(CCNC(=O)CSc2n[nH]c(=O)[nH]2)nc1-c1ccccc1 187121891 BJZPVOPFMUOITP-UHFFFAOYSA-N 375.479 1.981 0 50 GDAA COC(=O)C1(c2ccc(S(=O)(=O)N(C)c3ccc(C(N)=O)cc3)cc2)CC1 776280918 ZDWHASGPRVMUGN-UHFFFAOYSA-N 388.445 1.815 0 50 GDAA Cc1ccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 1506431722 WRTWQBPFXXIKCU-GOSISDBHSA-N 395.525 1.859 0 50 GDAA Cc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1NS(C)(=O)=O 13683554 VQFJFQZXZNETHL-UHFFFAOYSA-N 388.449 1.809 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C3CCOCC3)C2)cc1 15062356 GEGGAPHRGXZOIV-OAHLLOKOSA-N 396.509 1.639 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1C[C@H]1CCCO1 15062943 PXXCHUVEAXGERC-QGZVFWFLSA-N 393.513 1.668 0 50 GDAA Cc1cccc(NC(=O)C2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)c1 169768922 PXEWKDXYMCAXRP-UHFFFAOYSA-N 394.435 1.525 0 50 GDAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccnc4)ccn3n2)c1 169781142 SRVUOXHEIJMMQT-UHFFFAOYSA-N 389.415 1.997 0 50 GDAA CCC1(O)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1857528665 LVEKEWRXDPXDNK-MRXNPFEDSA-N 375.517 1.611 0 50 GDAA O=C(N[C@@H]1CN(Cc2cscn2)CC[C@@H]1O)c1ccccc1-n1cncn1 1857679316 TYKKHYVDYJXYGK-WBVHZDCISA-N 384.465 1.089 0 50 GDAA CN1CC[C@]2(C(=O)NC3Cc4ccccc4C3)CCCN(S(C)(=O)=O)[C@H]2C1 1857682586 KERFJGJODSQBCL-AZUAARDMSA-N 391.537 1.016 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1 1857694548 DOVSFJYIXMIXML-UHFFFAOYSA-N 390.465 1.624 0 50 GDAA O=C1COc2ccc(S(=O)(=O)N3CCc4[nH]nc(C5CC5)c4CC3)cc2N1 1857700851 MYZOYHJQHDJTKU-UHFFFAOYSA-N 388.449 1.408 0 50 GDAA O=C(NC[C@@H]1CCCO1)[C@]12CCCCN1C[C@@H](Nc1ncc(Cl)cn1)C2 1857704489 UJFMHGLUVHMHOQ-RLFYNMQTSA-N 379.892 1.834 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4CCC[C@@]5(CNC(=O)O5)C4)CC3)nc2n1 1857739800 SVVLOKPRXUZZRW-HXUWFJFHSA-N 399.451 1.849 0 50 GDAA Cn1cncc1CN1CCC[C@@]2(CCc3c(N4CC(O)C4)nc(C4CC4)nc32)C1 1875244604 VQTHDYXFYBUQLN-JOCHJYFZSA-N 394.523 1.748 0 50 GDAA N=c1nc(N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cc(NCCO)[nH]1 1875247173 SCBWJPUYNAKXMM-HXUWFJFHSA-N 397.483 1.151 0 50 GDAA CCC(CC)n1nc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C 377174987 DUKJIYVFUSBBRH-MRXNPFEDSA-N 382.530 1.498 0 50 GDAA O=C(COc1ccc(-c2nn[nH]n2)cc1Cl)N[C@H]1C(=O)NCc2ccccc21 1875340512 FNMLYSAWPKKJOV-MRXNPFEDSA-N 398.810 1.386 0 50 GDAA O=S(=O)(NC1([C@H]2CCCN2)CC1)c1ccc(I)cc1 1875358073 IJWREBDCNXGFPY-GFCCVEGCSA-N 392.262 1.854 0 50 GDAA Cc1cc(C)n(C2CCN(C(=O)c3nc(C)c(C)c(N4CC[C@@H](N)C4)n3)CC2)n1 1875401703 PJDLIIGKDXCXSW-QGZVFWFLSA-N 397.527 1.921 0 50 GDAA C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)c1nccs1 2325896275 VKTGATKUIJNWIA-YGRLFVJLSA-N 398.444 1.395 0 50 GDAA CN(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)S(C)(=O)=O 640117 GXRVJMSFBUJHRE-UHFFFAOYSA-N 398.462 1.654 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(S(=O)(=O)c4ccc5nc(O)oc5c4)C[C@@H]13)O2 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C[C@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)O)C(=O)O2)n1ccnc1 77287648 KQPBHEPZUZJILP-CQSZACIVSA-N 378.429 1.512 0 50 GDAA CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CCc2nccn2C1 364986366 RNAINPUFEBJLJP-HNNXBMFYSA-N 383.452 1.891 0 50 GDAA CCc1ncc2c(n1)CN(CC(=O)NCc1cccc(N3CCCC3=O)c1)CC2 171644745 IMRJHMSOKHVWSM-UHFFFAOYSA-N 393.491 1.840 0 50 GDAA CN(CCC(N)=O)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71735468 GYWCAZVBAIRLHD-GOSISDBHSA-N 387.528 1.092 0 50 GDAA CNC(=O)c1noc(CN2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77485638 IIIIKCAMXQGPCN-IBGZPJMESA-N 375.473 1.576 0 50 GDAA CN1CCN(C(=O)c2ccc3c(c2)n(C)c(=O)n3CCc2ccccc2)CC1 77303045 IUFAEBGAXBUSMJ-UHFFFAOYSA-N 378.476 1.970 0 50 GDAA CNCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 71755233 WRQIEGMCUYPMEY-LJQANCHMSA-N 386.540 1.268 0 50 GDAA CCc1[nH]c2c(CNC(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)cc(F)cc2c1C 71746985 TVEUUIVLQJHMSL-GFCCVEGCSA-N 385.443 1.952 0 50 GDAA Cc1nc(CC(=O)N2C[C@@H](CO)C[C@H](CN3CCCN(C)CC3)C2)cs1 91409835 RFQNGVUCLGVYST-SJORKVTESA-N 380.558 1.089 0 50 GDAA CCN(C(=O)NCCc1nc(O)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 426584527 AJGXXJIDSXOZSM-GFCCVEGCSA-N 378.454 1.097 0 50 GDAA CCC1=NO[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)C1 95508925 WMJOSNGKNRCQDN-MRXNPFEDSA-N 385.468 1.577 0 50 GDAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)Cn1ccccc1=O)CC2 95360522 JOQJVHYGBOGUJW-SFHVURJKSA-N 379.460 1.855 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1cnc(C)c1C)CC2 95528882 COPAYOAUNXVVNO-UHFFFAOYSA-N 384.484 1.536 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)C3CCN(C(C)=O)CC3)C2)CCC1=O 92037527 SXCWXIHOKSWYET-FQEVSTJZSA-N 379.501 1.123 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCc3nccn3C)C2)cc1 95518564 AYNGXJYKVGFGOI-INIZCTEOSA-N 392.525 1.662 0 50 GDAA CC[C@@]1(O)CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96162825 IPOIIUIQAZUUQZ-LJQANCHMSA-N 378.473 1.417 0 50 GDAA O=C(NCc1coc(-c2ccccc2)n1)c1cnc(Cn2cncn2)nc1O 92062469 BCQYLJGMDPKSRC-UHFFFAOYSA-N 377.364 1.407 0 50 GDAA CC(C)SCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96147900 ACNLBSHFLGGIGB-UHFFFAOYSA-N 381.546 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Cc1ccc2nc(C)c(C)c(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 72438548 HIDFSKJSLQRVBL-MSOLQXFVSA-N 387.505 1.713 0 50 GDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 262833630 QPEHAEHSLNQQHT-AZUAARDMSA-N 398.463 1.787 0 50 GDAA CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cc(C)sc3C)cc2C1 82108377 ABXNJMTZKQUTNR-UHFFFAOYSA-N 382.511 1.792 0 50 GDAA CCc1noc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 82120746 RZEGDTDAZCJHFY-MRXNPFEDSA-N 391.516 1.167 0 50 GDAA O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1cnc2ccccn2c1=O 220749778 LFEOJWJLFIFFSK-IAGOWNOFSA-N 383.379 1.800 0 50 GDAA CCc1cnc(C)nc1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1 426641389 QGCROOJRADSPGQ-UHFFFAOYSA-N 376.482 1.636 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)O 95364509 DCJMXTYXSSNYAH-IBGZPJMESA-N 379.420 1.965 0 50 GDAA Cn1c(CN2CCCC2)nnc1C1CCN(CC(C)(C)N2CCOCC2)CC1 96153180 CKPMKMYRRDETDI-UHFFFAOYSA-N 390.576 1.701 0 50 GDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1c(Cl)cnn1C)CC2 91586652 JKEVSIKHADPICN-UHFFFAOYSA-N 376.848 1.333 0 50 GDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 180677044 VQYZYTHTMVLTGD-SCLBCKFNSA-N 377.460 1.182 0 50 GDAA CSCC[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252539817 OLISGIJEKAUUEN-HZPDHXFCSA-N 393.509 1.364 0 50 GDAA CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCn3nc(C)cc3C)[C@H]2C1 534632941 BLRHHYKRUSVABZ-FUHIMQAGSA-N 376.501 1.955 0 50 GDAA CCn1c(C2CCN(C(=O)c3ccccc3-n3cncn3)CC2)nn(C)c1=O 67886201 PVCXOHAXMYDHPF-UHFFFAOYSA-N 381.440 1.202 0 50 GDAA O=C(CC1CCCCC1)N[C@@H]1C[C@H](C(=O)NCc2cc(O)ncn2)C[C@H]1O 1940197128 TZXAJRQQBRWXCU-NUEKZKHPSA-N 376.457 1.025 0 50 GDAA O=C(c1ccco1)N1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 299763166 YWMROCJCNPGHIM-UHFFFAOYSA-N 385.464 1.424 0 50 GDAA Cc1ccc([C@H](CNC(=O)c2ccccc2-c2nnn[nH]2)N2CCOCC2)o1 299761705 ZEBZNJXJJPQVPF-INIZCTEOSA-N 382.424 1.571 0 50 GDAA O=C1NCCN(C(=O)c2ccccc2N2CCOCC2)[C@@H]1c1cccc(F)c1 828315060 XEKHEZXRAVPOFF-LJQANCHMSA-N 383.423 1.976 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CCO2)o1 275270224 IZNSDCVLKQSWAI-NHYWBVRUSA-N 379.438 1.718 0 50 GDAA C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1 275990369 OUOACUVKJILMDE-JKSUJKDBSA-N 399.499 1.239 0 50 GDAA CC(C)c1cc(C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n[nH]1 276487619 OMLWQVJRETVUNJ-AWEZNQCLSA-N 387.488 1.441 0 50 GDAA CC(C)CNS(=O)(=O)c1ccc(CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 170592718 HZDYADHYBPAXBI-INIZCTEOSA-N 379.482 1.938 0 50 GDAA Cc1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n3C2)cc1C 2255460 UZKSHQJZMUNNMH-ZCXUNETKSA-N 390.468 1.733 0 50 GDAA Cc1nc[nH]c1C(=O)N[C@]1(C)CCOC2(CCN(Cc3cccnc3)CC2)[C@H]1O 1772701171 COZOAISDVMUSOB-VQTJNVASSA-N 399.495 1.418 0 50 GDAA CN(C)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCCC2)n1 5016891 YRURGXIWNXPLBF-UHFFFAOYSA-N 379.424 1.876 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 19821028 FZBHKVSQPFWGAK-RHSMWYFYSA-N 387.523 1.429 0 50 GDAA C[C@H]1CCCN(C(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)C1 169752532 LKBHUPJGEOHKFM-HNNXBMFYSA-N 380.448 1.914 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cc(C)n(C)n3)C2=O)cc1 206256005 ZBBJHOIRCBHKMF-MRXNPFEDSA-N 399.451 1.619 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)cc12 1857669554 RKBNAFPUAAFTGV-SCLBCKFNSA-N 378.450 1.268 0 50 GDAA N=c1ccnc(N2CCO[C@@]3(CCN(Cc4ccc5c(c4)OCCO5)C3)C2)[nH]1 1857688691 WTOCVIJCAPHPML-HXUWFJFHSA-N 383.452 1.142 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ncoc3C)CC(=O)N2[C@H]1c1ccccc1 1857715005 WYZZEUKOWTZKFO-MPGHIAIKSA-N 383.404 1.570 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3c(C)nn(C)c3C)CC(=O)N2[C@H]1c1ccccc1 1857721861 JGJJIOAUJNDFQM-WFXMLNOXSA-N 396.491 1.984 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCCCc3ccccn3)CC2=O)s1 1857727554 TXGINXKQRNJPSQ-GFCCVEGCSA-N 375.454 1.181 0 50 GDAA CN1C(=O)COc2ccc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)cc21 1875247576 LDHKCGQVDFFXCZ-ICSRJNTNSA-N 382.416 1.616 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N[C@H]3CCCO[C@@H]3c3cnn(C)c3)cc12 328629156 ONCAQTCUQFMYSA-JKSUJKDBSA-N 391.453 1.717 0 50 GDAA O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)c1 247499416 PKSGGAGGBKZSNV-PBHICJAKSA-N 375.450 1.192 0 50 GDAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1875345998 PIDDCMOPKTUMPW-CYBMUJFWSA-N 393.469 1.289 0 50 GDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1320400089 ZOFSZTADBXRQRB-INIZCTEOSA-N 390.465 1.673 0 50 GDAA COCc1cc(N2CC[C@@H](O)[C@](Cc3cccc(OC)c3)(C(=O)O)C2)ncn1 2100556926 KYKGMOBIYDVRLN-YLJYHZDGSA-N 387.436 1.516 0 50 GDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)Nc1cccc(C(F)(F)F)c1)C2 2356154858 NBHPKATUOQNDPR-FZMZJTMJSA-N 387.358 1.955 0 50 GDAA Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)cc1 67649660 SHNVZVPQMVXIHA-MRXNPFEDSA-N 377.514 1.798 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNC3(C(N)=O)CCCCC3)C2=O)c1 67908539 FOVRPYHTLCNBII-OAQYLSRUSA-N 389.496 1.327 0 50 GDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3=O)c2)C1 252457137 DCTKHBPTRVYTJC-ZENOOKHLSA-N 381.450 1.826 0 50 GDAA O=c1cc(N2CCOCC2)cnn1[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 328606727 SQJLHRUFEYRMHC-GOSISDBHSA-N 394.479 1.565 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)c3ccccc3)C2=O)n(C)n1 328609565 DZIYGYBZNBTRDZ-RHSMWYFYSA-N 390.509 1.947 0 50 GDAA COc1ccccc1N1C(=O)C[C@H](N2CCC[C@H](N3CCCCC3=O)C2)C1=O 363001798 WAWAYBBWMAQVIM-RDJZCZTQSA-N 385.464 1.804 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@H]3C1=O 77505023 FZOBZRRQDYOVTR-NYUBLWNDSA-N 386.496 1.895 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H](C)N1 153250183 MVHLEEDEXUHPPT-AOOOYVTPSA-N 375.288 1.675 0 50 GDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[C@H]2C(=O)NC(=O)[C@H]2C1 366330207 NBGADVNRVSPCBN-YPMHNXCESA-N 393.465 1.020 0 50 GDAA O=C(CCn1cncn1)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72421622 CYCGDPXJRDWZLF-HXUWFJFHSA-N 382.468 1.495 0 50 GDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)C1 71764656 RIYPQWUWRXNHOV-AWEZNQCLSA-N 375.469 1.367 0 50 GDAA O=C(Cn1ccnc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72174467 SKRWUCFYSFDQHD-ZLGUVYLKSA-N 380.448 1.701 0 50 GDAA Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCNCC2)c(C)s1 333657612 KYCQHEKEPMIEOV-GJZGRUSLSA-N 398.554 1.274 0 50 GDAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262708475 DUZCROILENRHTP-SECBINFHSA-N 379.438 1.881 0 50 GDAA Cc1cccc(C)c1-n1nnnc1CN1CCN(C(=O)c2ccc(O)cc2)CC1 131040142 QAOXCWOMPNLNLI-UHFFFAOYSA-N 392.463 1.943 0 50 GDAA CC1(C)CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C[C@]2(CCOC2)O1 373983699 PJQDCVRJJMPSJL-IBGZPJMESA-N 376.457 1.720 0 50 GDAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(Cl)c(-c5nnn[nH]5)c4)[C@H]1[C@H]3C2 285311242 MBESGMNWAYAXNB-VCBVUMKSSA-N 395.872 1.564 0 50 GDAA COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3ccsc3)C2=O)c1 286063520 RXAQNEQIZVKQBA-HNNXBMFYSA-N 382.463 1.849 0 50 GDAA Cn1cc([C@@H](NC(=O)c2cnc(N)nc2-c2ccccc2)C2CC(O)C2)cn1 223639137 CODWHPJZZQOJCX-PGEKIEPBSA-N 378.436 1.701 0 50 GDAA Cc1ccc2nc(COCC(=O)N3CCC[C@H](c4ccn(CCO)n4)C3)[nH]c2c1 426399456 UBGNEXNPEAQICT-INIZCTEOSA-N 397.479 1.983 0 50 GDAA CC(=O)NCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 20119676 NVTAWHKIKFCEOV-LJQANCHMSA-N 379.407 1.442 0 50 GDAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)Cn1cc2ccccc2n1 426477578 OGXIXJXYJNEXDQ-MRXNPFEDSA-N 380.452 1.901 0 50 GDAA Cc1nc(CCNC(=O)Cn2ccc([C@H]3CCCNC3)n2)nc2c1CCCC2 426545190 UAMLQJIZHYJJJJ-INIZCTEOSA-N 382.512 1.686 0 50 GDAA Cc1cc(=NC(=O)CCc2ccc3c(c2)CCO3)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159221 MGJGBPFGWCVCNR-INIZCTEOSA-N 389.477 1.479 0 50 GDAA Cc1cc(C(=O)NCc2nc(C)c3c(n2)CCCC3)c2c(O)nc(=O)n(C)c2n1 426398984 GBTHLOKVEKKPEJ-UHFFFAOYSA-N 394.435 1.250 0 50 GDAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(-c3nnn(C)n3)cc1)C2 91441681 HUQHBUZXORRWCQ-ZDUSSCGKSA-N 379.420 1.867 0 50 GDAA Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(Oc2ncccn2)CC1 96137097 LNIDYWANJXNIBY-UHFFFAOYSA-N 380.412 1.836 0 50 GDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cnc(-c3cccnc3)[nH]c2=O)C1 91943312 MJNUVUCAOGKIEF-OAQYLSRUSA-N 376.416 1.874 0 50 GDAA Cc1cccc(CN2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 426505775 MTRPEAJRPYHXBX-QGZVFWFLSA-N 384.528 1.855 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2)CN1Cc1ncc[nH]1 95363396 OMAVJTYYTHJQJP-CABCVRRESA-N 375.860 1.572 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3CCc4ccccc43)cc2C1 91494307 ILYAOOJDSNZZMP-SFHVURJKSA-N 388.493 1.395 0 50 GDAA CC1(C)CN(C(=O)Cn2ncc3ccccc32)CC[C@]1(O)CN1CCOCC1 91526264 NFKUQTFCKZPSQT-NRFANRHFSA-N 386.496 1.358 0 50 GDAA Cc1nc(N)nc(NCC2(N3CCOCC3)CCCCC2)c1CCC(=O)O 95380371 YUTRUWPHCOECCP-UHFFFAOYSA-N 377.489 1.831 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cc1cc(C)no1)CC2 95497327 JQDUSSHTQRHCET-UHFFFAOYSA-N 384.440 1.178 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(Cc1cnc(N3CCCC3)s1)CCN2C 91364812 XVYWFVRVJANNFA-IBGZPJMESA-N 377.558 1.872 0 50 GDAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)Cn1c(C)ccc1C 253411474 OQKSXYNUCKVVPR-KRWDZBQOSA-N 385.464 1.822 0 50 GDAA biogenic COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@H](CO)C(C)C)N=C2O)cc1 252536853 JRIDDBGLPCCNJF-HZPDHXFCSA-N 377.441 1.233 0 50 GDAA O=C(Cc1ccc2c(c1)OCO2)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003737 ZWSOOOVFKPKPNJ-JNKARSBBSA-N 381.436 1.809 0 50 GDAA Cn1cnc2cc(C(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)ccc2c1=O 828168652 IUBPCGARZIIOJN-CQSZACIVSA-N 380.404 1.561 0 50 GDAA COc1c(N)ccnc1-c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 584890350 ZSTBLQUQHAXXAN-SFHVURJKSA-N 375.450 1.646 0 50 GDAA O=C(CCCN1CCCC1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670453638 ZPRSEBRFPKUDMQ-UTCTYZAISA-N 382.552 1.546 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)C1(N3CCCC3)CCCC1)CC2 952872099 JPYTZEDHFNOQDS-HNNXBMFYSA-N 377.485 1.319 0 50 GDAA COc1cccc(CC(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)c1 1565509377 WTYDJQFOLAQYRV-ROUUACIJSA-N 375.494 1.754 0 50 GDAA C=CC(=O)NCCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 269502176 ZUBVHQXEMAUSNL-ZDUSSCGKSA-N 399.447 1.520 0 50 GDAA Cn1nnc2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc21 186350311 DRKGCSGOIDTDBE-UHFFFAOYSA-N 379.464 1.855 0 50 GDAA COc1ccc(CN2CCC(NS(=O)(=O)C[C@@H]3CCCO3)CC2)cc1F 170666040 BXFCXGJCFKHVNG-INIZCTEOSA-N 386.489 1.897 0 50 GDAA CC(C)(NS(=O)(=O)c1cccnc1)C(C)(C)NS(=O)(=O)c1cccnc1 1501018192 PALBPZAAYYFYAL-UHFFFAOYSA-N 398.510 1.291 0 50 GDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@@](O)(CN(C)C)C3)o2)c1C 1506396049 BAXHEYKTAHCFJJ-QGZVFWFLSA-N 383.470 1.629 0 50 GDAA COc1ccc([C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2NC(C)=O)cc1 213313706 BTWSKJTZIRFBCB-UXHICEINSA-N 375.513 1.710 0 50 GDAA Cn1ncc2c(O)nc(CN3C[C@H]4CNC[C@]4(CCc4ccccc4)C3)nc21 1772707122 KCHOIKNQKBAFRA-IIBYNOLFSA-N 378.480 1.723 0 50 GDAA Cn1cncc1CN1CCC2(CC1)OCC[C@@](C)(NC(=O)C1CCCC1)[C@@H]2O 1772710347 QJDGKJCZAGJAML-VQTJNVASSA-N 390.528 1.601 0 50 GDAA Cc1ccc(OCC(=O)N2CCCN(CC(=O)Nc3ccn(C)n3)CC2)cc1C 1772700489 BWNZCJIPTOPFJH-UHFFFAOYSA-N 399.495 1.589 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cccnc1 12308218 MYWAOEKRBDBHFK-SFHVURJKSA-N 382.464 1.140 0 50 GDAA Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)sc1C 12703579 CMYRDPXRVJLMFJ-OAHLLOKOSA-N 392.525 1.627 0 50 GDAA COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)sc1C 206252073 BIWPCOHBPCMTCH-LLVKDONJSA-N 388.405 1.317 0 50 GDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCCc2nc3c(s2)CCCC3)n1 1857691873 ZLUVDVRZPFAYKN-KRWDZBQOSA-N 376.530 1.937 0 50 GDAA Cc1ccn2c(C(=O)N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)nnc2n1 1857709701 MNOXSAGTDUVUKK-FQEVSTJZSA-N 392.419 1.322 0 50 GDAA CC(=O)NCC(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857736938 ROVFPQDNGSLGAH-UHFFFAOYSA-N 380.448 1.792 0 50 GDAA O=C(NCC1CNC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 262049503 VLODGVTXDNUVSN-UHFFFAOYSA-N 391.518 1.444 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(CCCC(C(=O)O)C(=O)O)C1)CC2 1704326716 LUGCRCHYDUNKPT-LJQANCHMSA-N 376.457 1.388 0 50 GDAA N[C@@H](C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)[C@H]1CCCCO1 1875287380 HZQCUYDSZPUTSL-RTBURBONSA-N 391.487 1.619 0 50 GDAA CCC[C@H](C(=O)N1CCC2(CC1)C[C@H]2c1nnc(C(C)C)o1)S(N)(=O)=O 1875267702 MVYCJEWFKIOJKD-QWHCGFSZSA-N 384.502 1.746 0 50 GDAA COc1cccc2c(N[C@H]3CCN(c4cc(=O)n(C)c(=O)n4C)C3)ccnc12 1875399524 ZJNAUGDOGWCILE-ZDUSSCGKSA-N 381.436 1.332 0 50 GDAA CN1C(=O)c2ccc(NC(=O)CN[C@@H]3COC[C@@H]3Oc3ccccc3)cc2C1=O 1875313889 WFSIOYOFCDDVFC-MSOLQXFVSA-N 395.415 1.287 0 50 GDAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 20051478 CUSILFNNXPRMEE-GOSISDBHSA-N 389.452 1.971 0 50 GDAA COCC[C@@]1(C)CN(C(=O)[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCO1 2325807115 BKICQZVTVWGRRW-PXNSSMCTSA-N 385.468 1.941 0 50 GDAA O=C1CC[C@@H](N2C(=O)c3ccc(OCc4cccc(F)c4)cc3C2=O)C(=O)N1 2325893886 USJFAZLLPKPPGC-MRXNPFEDSA-N 382.347 1.806 0 50 GDAA Cc1ccc(F)cc1CNC(=O)[C@H]1CC[C@H](NC(=O)C2(C)COC2)[C@@H](O)C1 2356137478 ZTJZOZVEQADOBD-JQFCIGGWSA-N 378.444 1.433 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)n[nH]2)s1 2356144560 CZLYGPFDGUTEGO-CABCVRRESA-N 377.466 1.564 0 50 GDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cccc(Cn3nc(C)cc3C)c1)C2 2356147917 YJNAIJDZNLOQNK-RXVVDRJESA-N 383.448 1.810 0 50 GDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1CCOCC1)C[C@@H]2O)c1cn[nH]c1 2356150959 KEITUARQQCIHDC-XAPVIXHLSA-N 396.491 1.395 0 50 GDAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356152726 YETUOZFHHOJUHJ-CAOSSQGBSA-N 391.537 1.989 0 50 GDAA OCCN(C[C@H](O)Cn1ccc2ccccc21)C[C@@H](O)COc1ccccc1 4248026 PWXQBQZIYVJPDX-VQTJNVASSA-N 384.476 1.736 0 50 GDAA COc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1OC 6793908 GQZKKQIZZZNMOL-UHFFFAOYSA-N 375.469 1.650 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCC(F)(F)F)C2 20819384 ROBWUPLDJQGDSU-ZDUSSCGKSA-N 387.450 1.690 0 50 GDAA CCN1CCN([C@H]2CCN(C(=O)c3cc(N4CCCC4=O)ccc3F)C2)CC1 119361668 QWLJGXNHPMFDPX-KRWDZBQOSA-N 388.487 1.805 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1=O 229904544 VJUPQZXYOGCUGH-BZPMIXESSA-N 393.871 1.862 0 50 GDAA CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1 2800051 TZEKSSJHFZYHEW-OAHLLOKOSA-N 394.472 1.759 0 50 GDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncn2)n1 72115955 JPKINHDSFQQHSW-UHFFFAOYSA-N 398.492 1.623 0 50 GDAA O[C@@H]1CN(c2ncnc3[nH]cnc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 71746015 AMBRFQQNMDUQII-IAGOWNOFSA-N 397.458 1.254 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72166094 VMSBESRXYBLLKR-IBGZPJMESA-N 379.508 1.920 0 50 GDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@H]3[C@H](C)N)n2)cc1 237234833 AAUDEYGARHWKLW-KSSFIOAISA-N 387.484 1.943 0 50 GDAA C[C@@H](NC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 426379654 HGSJHNOEYZKGCK-MRXNPFEDSA-N 380.514 1.806 0 50 GDAA CCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95374762 NMHSUBQIWOIORQ-NRFANRHFSA-N 388.512 1.486 0 50 GDAA CC[C@@H](NC(=O)c1[nH]nc2c1CN(C)CC2)c1ccc(S(C)(=O)=O)cc1 97259323 VGYLQNOLURBDJG-OAHLLOKOSA-N 376.482 1.682 0 50 GDAA Cn1c(=O)oc2cc(S(=O)(=O)N(CCO)[C@@H]3CCc4ccccc43)ccc21 178753579 NLUYDDSWBMMPFE-MRXNPFEDSA-N 388.445 1.802 0 50 GDAA O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CC[C@H]2CC[C@@H](C1)N2 97527178 ZNHYTAFQIHCRQH-WBVHZDCISA-N 377.510 1.874 0 50 GDAA CCc1csc(CNC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1 534651025 MHGVJBUZJQIWJM-UHFFFAOYSA-N 390.513 1.900 0 50 GDAA O=C1C[C@H](Cc2ccc(S(=O)(=O)N3CCNCC3)cc2)CN1c1ccccc1 299776442 KTLRADOCJKECTR-SFHVURJKSA-N 399.516 1.876 0 50 GDAA Cc1nnnn1-c1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 299767894 XQXRMAYADYXONV-HNNXBMFYSA-N 379.428 1.551 0 50 GDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)s1 670455609 LRWMCOUGEDWWDD-JTQLQIEISA-N 376.481 1.485 0 50 GDAA COc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCN(C)CC3)o2)cc1 952979128 QZXRAKZULXEOHP-ROUUACIJSA-N 385.464 1.700 0 50 GDAA O=C1CCC(C(=O)N2CCC(CNC(=O)c3sccc3Cl)CC2)=NN1 952974122 IKNHURDLOBFMNB-UHFFFAOYSA-N 382.873 1.636 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1 275270213 IZNSDCVLKQSWAI-ABAIWWIYSA-N 379.438 1.718 0 50 GDAA CSc1ccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 219610234 WQXUQSNDHUFRJY-CVEARBPZSA-N 383.539 1.373 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(CCC(C)(C)O)cc1 1704297580 AKBCHYDJUDDQRD-DLBZAZTESA-N 398.525 1.026 0 50 GDAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)CCSCC2)o1 1776111181 DZKFEDWSZZVTFI-GFCCVEGCSA-N 399.490 1.236 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCn2cncn2)CC1 12315575 ALJFASJQGXXVKW-SFHVURJKSA-N 390.532 1.288 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O 14534148 IRNNFFCPQDFGPC-HUUCEWRRSA-N 397.397 1.903 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 15065583 LTDIWYNURWLPAU-INIZCTEOSA-N 388.468 1.163 0 50 GDAA COCCN1CCN(C(=O)c2coc(CN3CCc4ccccc4C3)n2)CC1 19607554 PMHXIQVSTULNSD-UHFFFAOYSA-N 384.480 1.637 0 50 GDAA COC(=O)c1cncc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1 1857674115 RJPICCFDECYYQT-NRFANRHFSA-N 395.415 1.758 0 50 GDAA O=C(NCc1c(F)cccc1Cl)[C@]12COC[C@H]1CN(Cc1cnc[nH]1)C2 1857692633 NISRTKVUTFJWBG-KZULUSFZSA-N 378.835 1.967 0 50 GDAA CC(C)NC(=O)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857728706 MYZAWUQLLCHJJT-LJQANCHMSA-N 375.473 1.417 0 50 GDAA COCCN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 411262545 COTKXKNONPOAOK-ZBFHGGJFSA-N 381.494 1.993 0 50 GDAA Cc1nc2cc(C(=O)N[C@@H]3CCCC[C@H]3N)ccc2n1[C@@H]1CCS(=O)(=O)C1 128188234 LYLQMRUMZGCREW-BZUAXINKSA-N 390.509 1.704 0 50 GDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](NCC(C)(C)CO)C2 14754825 MTYIIFBXDFDNFG-INIZCTEOSA-N 388.487 1.955 0 50 GDAA CCc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)s1 247937764 HQNGTNAIEBKKAK-OLZOCXBDSA-N 386.543 1.357 0 50 GDAA NC(=O)N1CCCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 263757348 TYZDWFIHLTWOPU-UHFFFAOYSA-N 387.484 1.412 0 50 GDAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C(=O)c4ncoc4C)[C@@H]3C2)no1 1704303772 OEUCCIWAVHQPHN-DNVCBOLYSA-N 388.424 1.409 0 50 GDAA C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1COCCO1 1875294066 LWKYCERXUSCAGC-HNAYVOBHSA-N 377.485 1.246 0 50 GDAA Cn1cc(C(=O)NC2CCN(C(=O)c3cc(Cc4ccccc4)[nH]n3)CC2)cn1 1875253448 DLBGVOKKNCMNNP-UHFFFAOYSA-N 392.463 1.769 0 50 GDAA COc1ncc([C@H](C)N[C@H]2CN(c3cc[nH]c(=N)n3)C[C@H]2OC)cc1Cl 1875399906 LVOVDAJOVCFASK-LEWSCRJBSA-N 378.864 1.501 0 50 GDAA CC(C)CC(=O)N[C@H](C(=O)N1CC(N2CCCN(C)CC2)C1)c1ccccc1 1875325339 LWQMQNDWWDAVMV-NRFANRHFSA-N 386.540 1.738 0 50 GDAA C=CC(=O)N1CCC(C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CC1 1875367799 OAGWJUPNVISTKI-CYBMUJFWSA-N 399.417 1.786 0 50 GDAA CC1(C)C[C@@H](O)[C@@H](O)CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 2325791302 MBLDOHHPOHFJNK-UXHICEINSA-N 389.540 1.569 0 50 GDAA COc1cncc(S(=O)(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 416504772 XZJWQDACSDPNNH-NSHDSACASA-N 382.467 1.082 0 50 GDAA COc1ccnc(N2CCN(C(=O)NCCc3nc4ccccc4[nH]3)CC2)n1 103850125 QYPJOAGHUPWLCI-UHFFFAOYSA-N 381.440 1.436 0 50 GDAA Cc1cccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1 20998506 KWDXMBCHDSTQLS-UHFFFAOYSA-N 397.523 1.730 0 50 GDAA CNC(=O)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67872616 VQKNLZGLXGVRDO-MRXNPFEDSA-N 393.491 1.711 0 50 GDAA Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc(=O)[nH]1 67446741 CFDXZNCLGJUGCN-UHFFFAOYSA-N 379.420 1.577 0 50 GDAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCN(CCO)C(C)(C)C1 252537198 KQPXNPPBSDUCEC-UHFFFAOYSA-N 378.423 1.988 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cnc(N(C)C)nc3)CC2)n1 72142209 KNQRUFCDJXLOTH-UHFFFAOYSA-N 381.406 1.982 0 50 GDAA CCO[C@@H]1CCCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)C1 229773470 CPNJUZDWKWEHPG-PVAVHDDUSA-N 380.485 1.996 0 50 GDAA Cc1c(C(=O)N2CC[S@@](=O)C[C@H](C)C2)nnn1CCOc1ccc(F)cc1 328660509 VMPWBGGYLGIPRN-PFUSGODGSA-N 394.472 1.645 0 50 GDAA COc1ccccc1CN1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2ccncc2)C1 71682122 GFLZHSXOARBAQI-MSOLQXFVSA-N 383.448 1.929 0 50 GDAA CCOCCOc1cccc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)c1 72168597 ISARWHHOERFGAG-QGZVFWFLSA-N 376.453 1.771 0 50 GDAA Cc1cccc(NC2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 153072721 UAJKAEBCXSDQID-UHFFFAOYSA-N 396.495 1.319 0 50 GDAA CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1 364150926 PQHNAOVHRVXBMW-OXJNMPFZSA-N 389.452 1.580 0 50 GDAA CCCN1CCN(C(=O)c2cc3cccc(C)c3n2C)[C@H]2CS(=O)(=O)C[C@H]21 77457532 UUVLLCARCNIPNI-MSOLQXFVSA-N 389.521 1.820 0 50 GDAA CC(=O)NCCN(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[C@H](C)C(=O)O 262290258 YMCKKKWRYQYVRJ-CYBMUJFWSA-N 391.468 1.514 0 50 GDAA CC(C)[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)NC(=O)[C@H]1CCn2cncc2C1 332826454 WPQJNOUEVMQOEY-GJYPPUQNSA-N 398.511 1.162 0 50 GDAA CCCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 72119200 SAOUZOCVMGBNSA-UHFFFAOYSA-N 378.502 1.531 0 50 GDAA COc1cccc([C@H](CCN(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 71769838 JOIHAUUGUABXFM-HNNXBMFYSA-N 385.468 1.063 0 50 GDAA Cn1c(=O)cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c2ccccc21 216414804 YPISLCQZMMTKSD-LJQANCHMSA-N 375.428 1.722 0 50 GDAA CCN(c1ccccc1F)S(=O)(=O)NC(=O)c1ccc(-n2ccnc2)nc1 239761784 CKMKRZOTAGAWBP-UHFFFAOYSA-N 389.412 1.908 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(c3ncccc3Cl)CC2)CN1Cc1ccccn1 48293891 JDSHXJIQJZCHBM-OAHLLOKOSA-N 399.882 1.827 0 50 GDAA CCn1cc(S(=O)(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)cn1 82125753 QOIZRMOXFMTXER-ZWKOTPCHSA-N 376.482 1.504 0 50 GDAA COCc1noc(CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 91526657 PHEKMBSFLWFSAB-HNNXBMFYSA-N 378.473 1.600 0 50 GDAA CN1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ccc4[nH]nnc4c2)CC3)C1 95519954 JRANLKIETUNWTQ-MRXNPFEDSA-N 396.495 1.507 0 50 GDAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCC2(CCC(=O)N(C)C2)CC1 91625312 GSCHQZDXFGSJBE-UHFFFAOYSA-N 387.480 1.644 0 50 GDAA CSCC[C@H](O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91663773 CJXFMGXNZFJVQA-HNNXBMFYSA-N 392.525 1.136 0 50 GDAA CC(=O)c1c(C)nn(Cc2nc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1C 96151271 KPGVCINNOCIUSR-AWEZNQCLSA-N 377.470 1.579 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2COc3ccccc3O2)c1 95379681 YAJWVWPRLQPFFQ-NSHDSACASA-N 380.397 1.433 0 50 GDAA CCc1cc(N2CCC(N[C@H]3CCSC3)CC2)nc(N2CCOCC2)n1 95528540 DEFUUFHNMAMKOY-KRWDZBQOSA-N 377.558 1.940 0 50 GDAA Cc1nc2cc(C(=O)N3CCCC[C@H]3CN)ccc2n1[C@H]1CCS(=O)(=O)C1 299739677 RGVUXPMNJYKQIS-HOTGVXAUSA-N 390.509 1.658 0 50 GDAA O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1csc(-c2cnccn2)n1 183048897 ADGZOJVZAZFEBS-ZDUSSCGKSA-N 380.433 1.921 0 50 GDAA Cc1nccc(N2CCN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)CC2)n1 184934355 XRUGKOODNZDAJF-UHFFFAOYSA-N 378.436 1.345 0 50 GDAA NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3F)cc2)C1 534661133 JGQWALLIXVLFRA-LBPRGKRZSA-N 377.441 1.561 0 50 GDAA O=C(NCc1ccccc1Cl)C1CCN(C(=O)N[C@H]2CCNC2=O)CC1 534586226 FZDJKUJFWZEIKB-HNNXBMFYSA-N 378.860 1.266 0 50 GDAA COc1ccccc1CCC(=O)N1CCCN(c2ncccc2C(N)=O)CC1 371565445 RONNIUASXAITCD-UHFFFAOYSA-N 382.464 1.861 0 50 GDAA Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)on1 59945949 DBGHFPZRQHESSX-KRWDZBQOSA-N 392.406 1.610 0 50 GDAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NC[C@@H]1COCCN(C)C1 299784248 GEFXKDDJHKXDSF-ZDUSSCGKSA-N 375.429 1.753 0 50 GDAA Cn1nc2cccc(S(=O)(=O)NCCOc3cccc4cccnc34)c2n1 825651979 XAVAUMCHWDUCFC-UHFFFAOYSA-N 383.433 1.874 0 50 GDAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 584886017 OBWCZNBCDDVFGF-WOJBJXKFSA-N 377.448 1.446 0 50 GDAA O=C(CN1CCCCCC1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670449224 GSJODVYSRMZADB-UTCTYZAISA-N 382.552 1.546 0 50 GDAA COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 55562810 WJKSMBUVWHUZCC-UHFFFAOYSA-N 396.875 1.357 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@]3(CCC(=O)N(C)C3)C2)cs1 952869828 QAVAJISQXWJSPV-MRXNPFEDSA-N 385.511 1.131 0 50 GDAA C[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)N1 408519300 PIVPMVQLPYBFDI-ZIAGYGMSSA-N 382.482 1.221 0 50 GDAA Nc1cccc(C(=O)N2C[C@H]3CN(CC(=O)O)C[C@]3(CCc3ccccc3)C2)n1 1772810066 IIHHKYCBISXLRT-VGOFRKELSA-N 394.475 1.755 0 50 GDAA O=C(NCc1nc(C2CC2)no1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772816436 QLXAFEOFUQAZRT-GFCCVEGCSA-N 389.481 1.661 0 50 GDAA O=C(NCc1cn2ccsc2n1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12306349 QHLALDROPXDEFW-CQSZACIVSA-N 383.477 1.888 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC(F)(F)F)c1 14976130 RUHFACIOIGWNHE-OAHLLOKOSA-N 392.418 1.544 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 1857674081 ZUXZCGFWVKDIRH-CQSZACIVSA-N 380.514 1.617 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCCNc2cccnc2)C1)C1CC1 1857686713 DDFVOVZBZYWOCH-GHTZIAJQSA-N 385.512 1.523 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2c2cnn(C)c2)CC1 1857687413 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0 50 GDAA CN(C)CCc1cn([C@H]2CCN(C(=O)c3cc(O)nc4ccccc34)C2)nn1 1875344526 GWVSAJKFAAFSLH-HNNXBMFYSA-N 380.452 1.723 0 50 GDAA O=C1CC[C@H](N2Cc3c(cccc3-c3ccc4c(c3)CCOC4=O)C2=O)C(=O)N1 1875328530 WZVLHCDNKXUMKB-SFHVURJKSA-N 390.395 1.828 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn(C4CCC4)c3)C2)n1 1875397078 KKLXQNYJHCONMD-MRXNPFEDSA-N 383.500 1.743 0 50 GDAA NS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Br)c2)ccn1 1875339371 HJHYRLVAKKBUBI-UHFFFAOYSA-N 392.256 1.292 0 50 GDAA Cc1nnc(C2CCN(c3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)CC2)o1 1875401890 VJVWFRSDUREJLX-HZPDHXFCSA-N 387.488 1.053 0 50 GDAA CN1CCN(C(=O)c2cc(NC(=O)N3CCO[C@@](C)(C(F)F)C3)ccn2)CC1 888102021 YLMXQRMMNQXYFT-GOSISDBHSA-N 397.426 1.357 0 50 GDAA Cc1cn(-c2ncccc2F)[nH]c1=NC(=O)c1cc(CN2CCN(C)CC2)on1 2325735543 DPXVQXOQDNGMCS-UHFFFAOYSA-N 399.430 1.124 0 50 GDAA Cc1cccc(N2CCC[C@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2=O)c1 2325785237 LMLLSHBPZMCLQG-DLBZAZTESA-N 390.459 1.735 0 50 GDAA Cc1nc(CN2CCC(C(=O)N[C@@H](C(=O)O)C3(O)CCCCC3)CC2)cs1 2325829949 WXDPEHJXBBZUBX-INIZCTEOSA-N 395.525 1.928 0 50 GDAA Cc1cc(Br)ccc1-[n+]1[nH]oc(=O)c1I 633194 QCBFHCAOSMBPHM-UHFFFAOYSA-O 381.975 1.920 0 50 GDAA COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917378 ZPKLVTANQAYLRU-UHFFFAOYSA-N 390.461 1.897 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N[C@H]3CCO[C@H](CO)[C@H]3O)ncnc21 2356134231 FMVSPGMJUJFMPT-LXZKKBNFSA-N 377.489 1.748 0 50 GDAA C[C@]1(O)CC2(CCN(C(=O)c3ccc(-c4ccccc4)nc3O)CC2)OC[C@@H]1O 2356146338 BRMJBYUMOPUSIR-RXVVDRJESA-N 398.459 1.961 0 50 GDAA O=C1OCCN1CC(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356151789 ZEQFKJDSTAXVEQ-OAQYLSRUSA-N 385.464 1.665 0 50 GDAA COCCC[C@@]1(CO)CN(Cc2cc(OC)ccc2-n2cccn2)CC[C@H]1O 2356152259 FLYPMUITDKDCMB-RTWAWAEBSA-N 389.496 1.853 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1=O 2356168702 BRZYBWSNJPMWPJ-NRFANRHFSA-N 388.464 1.978 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)c1 4839500 ATSCFNFYBOASMB-QGZVFWFLSA-N 380.510 1.871 0 50 GDAA C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(=O)NCc1ccco1 109324951 YKOUVFCUBZYQDQ-MAUKXSAKSA-N 383.448 1.634 0 50 GDAA NC(=O)CSc1nnc(CCNC(=O)c2ccccc2)n1-c1ccccc1 8788036 MYPABDSPDSZGOU-UHFFFAOYSA-N 381.461 1.817 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 56605374 RUJRXVHVKHSDFK-UHFFFAOYSA-N 396.513 1.707 0 50 GDAA C[C@H]1CN(Cc2ccc(C(=O)Nc3ccn(CCC(N)=O)n3)cc2)C[C@H](C)O1 117705031 GAWLEENJKDKYDX-GJZGRUSLSA-N 385.468 1.620 0 50 GDAA O=C1CCc2cc(OC[C@H](O)CN3CC[C@](CO)(c4ccccc4)C3)ccc2N1 419269364 BLJCBXBBANHBII-XXBNENTESA-N 396.487 1.947 0 50 GDAA Cc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(N2CCOCC2)n1 65364390 PWQRNDQXEUBUIB-UHFFFAOYSA-N 382.468 1.976 0 50 GDAA COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)Nc2nnc(C(F)(F)F)n2[C@]1(C)O 248059455 ZNHMNFRZOKUDJY-FIXISWKDSA-N 386.330 1.927 0 50 GDAA O=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67514928 CMVNHQMOZQDJFZ-GFCCVEGCSA-N 399.838 1.922 0 50 GDAA Cc1cc(C)cc(N2CCC(NC[C@@H]3CN(S(C)(=O)=O)CCO3)CC2)c1 67690350 BEENUGRATXMSTH-LJQANCHMSA-N 381.542 1.522 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(C)cs3)CC2)C1 67784575 VVGPHGFHCSPVTD-MRXNPFEDSA-N 380.558 1.891 0 50 GDAA CN1C(=O)N(C(C)(C)C)[C@@H]2O[C@H]([C@H]3O[C@H]4[C@@H](O3)N(C)C(=O)N4C(C)(C)C)O[C@@H]21 1445973 MJSSPZRFJYPVJP-GSZZWUTPSA-N 398.460 1.368 0 50 GDAA Cc1ccsc1CN1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72463039 ZFRHHEDDHLLLNE-SJORKVTESA-N 377.535 1.935 0 50 GDAA O=C(NCC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccc2c(c1)OCO2 363424698 UJHOJGBFMNZARF-AWEZNQCLSA-N 398.419 1.812 0 50 GDAA Cn1cc(-c2cncc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)c2)cn1 363507139 RWUIWOOPJGFRPH-UHFFFAOYSA-N 384.461 1.957 0 50 GDAA OC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CN3CCCCC3)s1)C2 219131542 SSEPPVPXGALAJI-LJQANCHMSA-N 376.526 1.972 0 50 GDAA CCc1ccc(C(=O)N2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)s1 219353149 SGKGFMJFWJVZMH-HNNXBMFYSA-N 376.482 1.675 0 50 GDAA Cn1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)c1=O 262609418 AYJPMBVFYHVSOV-INIZCTEOSA-N 383.404 1.717 0 50 GDAA Cc1csc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCNC3)c2)n1 216444086 VJEOCVRSRNHOCT-CYBMUJFWSA-N 380.495 1.022 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)Cc3cnc4ccccn34)CC2)c1 77423978 ROEBLMTWRPKIJE-UHFFFAOYSA-N 378.432 1.870 0 50 GDAA CC[C@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 223351779 QRYDXQUBRYPMRF-INIZCTEOSA-N 376.436 1.503 0 50 GDAA COc1ccc(CN2CCN(C(=O)c3c(Cl)c(C)nn3C)CC2=O)cc1 82087054 VBPBTKHPOBZQOJ-UHFFFAOYSA-N 376.844 1.875 0 50 GDAA CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1[C@H]1C(=O)Nc2ccccc21 221530093 PGMVUICBNVHMIX-ZFWWWQNUSA-N 381.388 1.629 0 50 GDAA Cc1nc(O)c2c(n1)CCN(C(=O)CCc1nc(-c3cccnc3)no1)CC2 426550076 RIIWXVNGISVWIV-UHFFFAOYSA-N 380.408 1.496 0 50 GDAA CC(C)CN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O 426746090 LNIAGYROIGPABH-INIZCTEOSA-N 384.484 1.273 0 50 GDAA COc1ccc(F)cc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 223114098 RMQQSYGOYOCTTD-KRWDZBQOSA-N 376.432 1.558 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C[C@H]2CCC(=O)O)CC1 91664894 IDLZPFSJZZDISR-QAPCUYQASA-N 399.495 1.506 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3ccc[nH]c3=O)C2)CN1CCc1ccccn1 95502873 POQLDUYKIBSYFT-JOCHJYFZSA-N 394.475 1.857 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c(C)s1 299290740 TVZBDFCSSZIJDC-UHFFFAOYSA-N 394.522 1.723 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CN[C@H]3CC[C@H](O)CC3)c2)CC1 244811738 SKGJIQBBSMPRRP-NJDAHSKKSA-N 391.556 1.457 0 50 GDAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 243900889 AXDNCEGYYPANAB-GASCZTMLSA-N 381.436 1.876 0 50 GDAA CS(=O)(=O)CC1CCC(NC(=O)Cn2cc(-c3ccccc3)nn2)CC1 295927104 ZVMPKTNPXAGYMN-UHFFFAOYSA-N 376.482 1.665 0 50 GDAA CCn1ccnc1CNC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 298558835 ZYCMUIDPIWPUNJ-UHFFFAOYSA-N 391.497 1.421 0 50 GDAA CSC[C@@H](C)N1CCOC2(CCN(C(=O)CCCn3cncn3)CC2)C1 824887345 OHUQTGISYVVWGH-MRXNPFEDSA-N 381.546 1.503 0 50 GDAA Nc1ncc(CN2CCOC3(CCN(C(=O)c4cscn4)CC3)C2)s1 827590519 UXPMDUYPPONGDY-UHFFFAOYSA-N 379.511 1.689 0 50 GDAA O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCS(=O)(=O)CCO1 1351028227 UKCPJIIULKCFFV-GFCCVEGCSA-N 390.870 1.332 0 50 GDAA CO[C@@H](C(=O)NCC1CCN(C(=O)Cn2nc(C)cc2N)CC1)c1ccccc1 952976878 MTURLCXOFJTWGN-HXUWFJFHSA-N 399.495 1.516 0 50 GDAA O=C1[C@@H]2CC[C@@H](CN(S(=O)(=O)c3ccccc3)C2)N1Cc1cscn1 1565505810 QYDJQRIQCVNTNE-HIFRSBDPSA-N 377.491 1.955 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)c4c(c3)C[C@@H](C)O4)C2)n1 275258114 HNMUOKBHYMEOSR-ABKXIKBNSA-N 399.856 1.637 0 50 GDAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 186118834 LWGCTXKSHUGAFK-ZDUSSCGKSA-N 392.308 1.578 0 50 GDAA C[C@@H](NC(=O)Cc1nc2ncccn2n1)c1cc(F)ccc1N1CCC(O)CC1 755455017 CSMNVEUSKXKTON-CYBMUJFWSA-N 398.442 1.644 0 50 GDAA O=C(NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(F)(F)C1CCOCC1 791787442 BKYMMWTZVLIIGG-UHFFFAOYSA-N 385.392 1.739 0 50 GDAA Cn1cc(CC(=O)N2CCCN(C(=O)C3=NNC(=O)CC3)CC2)c2ccccc21 1529180058 ARLFNTWLRXWWHB-UHFFFAOYSA-N 395.463 1.048 0 50 GDAA O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC(c2ccnc(O)c2)CC1 1772805315 KGDUZGCXYLDMSO-SFHVURJKSA-N 378.436 1.964 0 50 GDAA COc1ncccc1C(=O)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 1772708763 KIKQPKGGOZDZQF-OAHLLOKOSA-N 381.498 1.063 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(Cc4nc(C5CC5)no4)C[C@@]3(CO)C2)c(C)o1 1772709178 IKVFSEJWPIKITG-QRWLVFNGSA-N 386.452 1.723 0 50 GDAA O=C(NCCN1CCCC[C@H]1CO)c1cn(Cc2ccc(F)cc2Cl)nn1 12430180 YOZCWNFZFFHVJO-HNNXBMFYSA-N 395.866 1.696 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CN2C1=O 14741640 OOPXKFHMAXXBMF-IHRRRGAJSA-N 398.385 1.951 0 50 GDAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14747759 XXCSJJCWDGKYES-WBAXXEDZSA-N 378.432 1.935 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 15070710 IBDNZOSGFUPBIP-KRWDZBQOSA-N 387.488 1.116 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCC(C)C)C2=O)cc1OC 206255405 USWWOAQAYACQIH-CQSZACIVSA-N 377.441 1.677 0 50 GDAA CCOCC(=O)N1CCC[C@]2(C1)CN(c1ncnc(CC)c1F)CC[C@H]2O 1857688423 INRFBWBKGZQCRB-BEFAXECRSA-N 380.464 1.394 0 50 GDAA CCn1nc(C(C)C)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857719836 VPUYLSAJOBIANM-JYJNAYRXSA-N 391.516 1.076 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2nc(=N)[nH]c3c2CCCC3)[C@H]1c1ccccc1 1857721666 AKSHLRNXVQRYHX-ICSRJNTNSA-N 395.507 1.912 0 50 GDAA Cc1ncsc1C(=O)N[C@H]1C[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@@H]1O 1875243433 GZMYZSCFGFLWMN-UBHSHLNASA-N 390.465 1.503 0 50 GDAA CN(Cc1noc([C@H]2CCCc3nn[nH]c32)n1)S(=O)(=O)c1ccc(F)cc1 952894746 QFVOIQOYEFEULG-LBPRGKRZSA-N 392.416 1.616 0 50 GDAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccn(-c3ccc(F)cc3)n1)C2 1875394695 SGXLQDUQAQIPSG-XZJROXQQSA-N 395.394 1.987 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875371699 JMDCIOHUMOXFIZ-OLZOCXBDSA-N 399.417 1.786 0 50 GDAA O=C(Cn1ccccc1=O)N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402760 KICREYZHZVZBAS-BHIYHBOVSA-N 392.459 1.668 0 50 GDAA O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCC(N2CCCS2(=O)=O)CC1 888102642 ZFPXGUPOJXDBTG-IRXDYDNUSA-N 395.529 1.576 0 50 GDAA CN1CCN(c2cccc(-c3noc(-c4ccnc5c4CC(=O)N5)n3)n2)CC1 888101546 CXCKAMBDZTZUEE-UHFFFAOYSA-N 377.408 1.440 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2ccc(F)c3cnccc23)C[C@H](C(=O)O)S1(=O)=O 2325874942 BRZAGNCVRURTHV-MEBBXXQBSA-N 394.424 1.770 0 50 GDAA CC1(C)CN2C[C@H]1NC(=O)[C@]1(CC=CCOc3ccccc3C2=O)CCNC1 2325894035 OTWGITDWWHDTGP-XMSQKQJNSA-N 383.492 1.972 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 814583 PPPXCKDRMVBSGX-UHFFFAOYSA-N 382.482 1.727 0 50 GDAA COc1ccc(Cl)cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 893901 KINUQGZGMMRITE-UHFFFAOYSA-N 383.857 1.826 0 50 GDAA COc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)c1 1137233 RLGXRQCYKUNWME-UHFFFAOYSA-N 377.422 1.199 0 50 GDAA Cc1ncc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)c(O)n1 2356148317 QPGHRGJQXMPUFQ-FQEVSTJZSA-N 381.436 1.683 0 50 GDAA O=C(CCc1nc(Cl)n[nH]1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 2356149881 XWVWFCZSOPUGCU-KDOFPFPSSA-N 378.860 1.205 0 50 GDAA O=C(O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1 4492445 SWYDUGDQHXXFDN-UHFFFAOYSA-N 396.446 1.720 0 50 GDAA COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(I)c1O 4905673 ROUMZZOUHLDDPJ-XCBNKYQSSA-N 381.191 1.794 0 50 GDAA COC(=O)Cn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233493 HQLXKNTXQYXQNA-CYBMUJFWSA-N 395.419 1.240 0 50 GDAA Cn1nc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1=O 55108173 KSZDFLPQXGJDMG-GOSISDBHSA-N 399.470 1.346 0 50 GDAA FC(F)(F)c1nnc2ccc(NC[C@H]3CN(c4nncs4)CCO3)nn12 225648456 YOHOZRMFKIEOTM-QMMMGPOBSA-N 386.363 1.312 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)n1 225835486 OFCIHOTWXRADHN-ZDUSSCGKSA-N 379.772 1.592 0 50 GDAA Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55576360 KTPVPPLBGHJKKJ-MRXNPFEDSA-N 393.394 1.005 0 50 GDAA Cc1cc(O)n2nc(SCC(=O)N(C)Cc3noc(CC(C)C)n3)nc2n1 55225267 JJCHTOPJKQLMPM-UHFFFAOYSA-N 391.457 1.471 0 50 GDAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1cc(O)n[nH]1 67975824 HURYOJINLXQLKQ-UHFFFAOYSA-N 379.424 1.162 0 50 GDAA Cc1cc(C)c(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c(-n2cccn2)c1 20451198 FCMTXBDQEBXMBL-IFMALSPDSA-N 383.540 1.672 0 50 GDAA COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)CN1CCOCC1 23337572 ICSVAOQMNUTZBW-SFHVURJKSA-N 394.512 1.378 0 50 GDAA CN1CC[C@H](c2nc(-c3cccc(OCC(F)(F)F)n3)no2)S1(=O)=O 351340249 ACTIQUURRVZLIL-SECBINFHSA-N 378.332 1.779 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)Nc3ccccc3C)nn2)CN1 67655091 QKVYNIAHVRPQSK-HIFRSBDPSA-N 385.472 1.292 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 328629639 PBDFZYMFZDGDLW-GOEBONIOSA-N 389.437 1.119 0 50 GDAA CS(=O)(=O)NCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)o1 366280332 BAWFBPLJXCXQGR-LSDHHAIUSA-N 392.433 1.269 0 50 GDAA O=C(NC1CCN(c2ncccn2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 125078376 VRPPWBYHNCFQLI-LJQANCHMSA-N 381.480 1.463 0 50 GDAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)CCCS(N)(=O)=O)C2)cc1F 72146430 DVYZVABPUVLPIY-ZDUSSCGKSA-N 386.445 1.324 0 50 GDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 72167627 KKWMYSUSNDXVKT-HNNXBMFYSA-N 376.505 1.044 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)c1OC 72167371 OOTLUQWWLBLCFP-QGZVFWFLSA-N 389.496 1.797 0 50 GDAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@H](C)c1nnnn1C 241588532 PDWRSHNNBLLDOX-SECBINFHSA-N 385.350 1.693 0 50 GDAA Cc1cc(C(=O)NC2CCN(Cc3nc(CS(C)(=O)=O)no3)CC2)c(C)o1 173633503 NJCUKMMURLQVKK-UHFFFAOYSA-N 396.469 1.218 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(-n2cccn2)n1 82230418 MPXVWIYCINUMEX-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA COCCN1CC[C@@H](CNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)C1 426511704 PHVPQQYVOALEJO-INIZCTEOSA-N 383.496 1.908 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCNC3)cc2)CC1 95525471 CWFQTFJKNKYITP-INIZCTEOSA-N 375.469 1.185 0 50 GDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)Cn2nccc2C)CC1 96139760 PWGFJBUYQONJJS-UHFFFAOYSA-N 382.472 1.454 0 50 GDAA CCSCC(=O)N1CCC2(CCN(Cc3cncn3C)CC2)[C@@H](CO)C1 97594834 IRRFEQRIIGFXMB-MRXNPFEDSA-N 380.558 1.596 0 50 GDAA CCCCNC(=O)Nc1ccc([C@H](C(=O)O)N2CCN(C(C)=O)CC2)cc1 95391898 YGDYLTMRSMRERV-QGZVFWFLSA-N 376.457 1.898 0 50 GDAA COC(=O)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239174082 PFLCMTJFUCNZPF-RIMFYDMWSA-N 381.384 1.432 0 50 GDAA COc1cc2c(cc1CNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1)OCCO2 95352219 FUDAOMICMVYEAF-ZDUSSCGKSA-N 377.441 1.476 0 50 GDAA Cc1c(NC(=O)CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C 95526485 RIWPGMCAGVSBQY-HNNXBMFYSA-N 387.459 1.948 0 50 GDAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 95531342 BXKXMMNJZVTKJM-MRXNPFEDSA-N 378.436 1.946 0 50 GDAA Cn1c(CO)nnc1C1CCN(CCC(=O)NCc2ccccc2F)CC1 244899896 ZSMVVZJEBRNPJQ-UHFFFAOYSA-N 375.448 1.332 0 50 GDAA CCc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c(O)n1 1073292440 BXQARIGIHCAOKQ-CVEARBPZSA-N 386.496 1.845 0 50 GDAA Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C)c(C(=O)O)c3)CC2)cs1 298121891 SWEGAOQBKMTAIR-UHFFFAOYSA-N 395.506 1.965 0 50 GDAA O=C(CC[C@@H]1N=C(O)N(Cc2ccccc2)C1=O)N[C@@H](CO)c1ccccc1 252548528 QAAFOKYHJRJHFQ-ROUUACIJSA-N 381.432 1.941 0 50 GDAA CCN(C(=O)Nc1cccc(N2CCN(C)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 299759198 BIWMPURPRDMFLL-OAHLLOKOSA-N 380.470 1.599 0 50 GDAA Cc1cc(-c2cccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)nc(N)n1 299772414 WTDACFBZCLNLIN-UHFFFAOYSA-N 389.481 1.188 0 50 GDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCSc2nc[nH]n2)c1 827647208 CANQGZGFXUIYIS-LLVKDONJSA-N 390.498 1.478 0 50 GDAA Cc1cc(C)n(CCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1 670465127 ZRGKTRVVWLAAIY-UHFFFAOYSA-N 390.465 1.241 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)nc2ncnn12 1565511649 CCKIKPAHANCOPM-CABCVRRESA-N 392.467 1.779 0 50 GDAA CN(C)c1ccncc1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 185196865 XRVJGQGUXSMLIC-SFHVURJKSA-N 397.527 1.533 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 276383753 JKXFTGKWJVFUPY-INIZCTEOSA-N 395.442 1.730 0 50 GDAA Cc1ccc(-c2cccc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c2)o1 1615735146 ORGOUBSZRDIAAT-MSOLQXFVSA-N 378.494 1.939 0 50 GDAA CO[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1Cc1cc(C)no1 1704347481 MJPNJPNHVBHCMG-QAPCUYQASA-N 392.477 1.645 0 50 GDAA COc1ccc(CC(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1OC 1704336675 JGWSVJQYULBIBZ-XLIONFOSSA-N 376.453 1.644 0 50 GDAA 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382.507 1.059 0 50 GDAA Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@@H](c2c[nH]nc2C(=O)O)C1 1875349257 RXTCZHGSUSDLGJ-GFCCVEGCSA-N 383.412 1.355 0 50 GDAA COc1cccc(OC(F)(F)F)c1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 888092719 CJUFMVTVBOYNCC-LBPRGKRZSA-N 382.360 1.244 0 50 GDAA NCCN(CCc1ccccc1)C(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775961168 DUQFJWLIQAAGOX-UHFFFAOYSA-N 383.496 1.179 0 50 GDAA O=C1CO[C@H](C(=O)NCc2cc(-c3ccccc3)n[nH]2)[C@@H](c2ccccc2)N1 2100534584 OJKGAIFREAJKOH-UXHICEINSA-N 376.416 1.949 0 50 GDAA COc1ccc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1857798223 VQJWLXSCWGENMO-KRWDZBQOSA-N 393.399 1.709 0 50 GDAA CC(C)(CN(C(=O)[C@H]1[C@H]2COCC[C@H]21)C1CC1)NC(=O)[C@@H]1[C@H]2CCOC[C@@H]21 2325767684 YGCOOGZRQJBJTJ-YPLQCARHSA-N 376.497 1.437 0 50 GDAA O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 2325805728 MUNILJCOLPEDIO-CPUCHLNUSA-N 399.465 1.447 0 50 GDAA CCc1nn(C)cc1C(=O)N[C@@H](C)CN(C)C(=O)c1nnn(CC)c1CC 2325829441 KETUKQYAQKOYGA-LBPRGKRZSA-N 375.477 1.047 0 50 GDAA CC1(C)[C@H](CNC(=O)c2ccc(F)c3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325874941 BRZAGNCVRURTHV-BONVTDFDSA-N 394.424 1.770 0 50 GDAA COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc(Br)c1OC 936858 QJWANHIBQYMPRA-LBPRGKRZSA-N 394.229 1.485 0 50 GDAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 2760429 BKVNCNUWLIXDQO-UHFFFAOYSA-N 378.425 1.981 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356168374 ARGUOYGYFJOJBU-QGZVFWFLSA-N 397.479 1.875 0 50 GDAA COc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1Br 9186916 ZUYFGHLEBXEFOY-UHFFFAOYSA-N 385.243 1.854 0 50 GDAA CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1nc(=O)c3sccc3[nH]1)C2 67491341 LNVMIDXYEDBNOV-SNVBAGLBSA-N 387.465 1.889 0 50 GDAA O=C1OCC[C@@H]1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 229732382 CXZMPBVZNXSTIE-RISCZKNCSA-N 387.841 1.599 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3ccncc3)C2=O)c1 71315413 CWQBMQOTOZOPPU-OAQYLSRUSA-N 387.455 1.915 0 50 GDAA CCCn1[nH]cc/c1=N\C(=O)CN1CCCC[C@@H]1c1ccc(C(=O)NC)n1C 328648461 UOYHBLAQAGQOJD-PJWCADQQSA-N 386.500 1.579 0 50 GDAA O=C1[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)CCCN1CC(F)(F)F 120959661 RFOIZXJVLUCSGV-JTQLQIEISA-N 376.360 1.395 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 77406309 OBPXSZWJSMHINA-WEMPKCCASA-N 393.443 1.924 0 50 GDAA O=C(c1ccc[nH]1)N1CCc2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2C1 77353598 ILMDRHIWISMKLY-HNNXBMFYSA-N 375.450 1.280 0 50 GDAA COc1nc2c(cc1CNC(=O)CCn1cccn1)C(=O)N(C1CCCC1)C2 71479395 NXBFQOMNZFDQFK-UHFFFAOYSA-N 383.452 1.892 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2nnn[nH]2)CCC(=O)N1CC1CC1 71751822 MQKDFOMIGKUNOS-KRWDZBQOSA-N 382.468 1.976 0 50 GDAA COc1ccccc1OCC(=O)N1CC2(CCN(C(C)=O)CC2)C[C@H]1C(=O)O 72422265 RYZZFIMCBGIQDQ-HNNXBMFYSA-N 390.436 1.388 0 50 GDAA CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)o1 129840038 DNXBSVGMNHAVBM-MRXNPFEDSA-N 390.461 1.745 0 50 GDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccccc1)C2 219187638 BJTSDINZEPKQAR-HXUWFJFHSA-N 381.436 1.510 0 50 GDAA CN(C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)CC(C)(C)C)CC3)OC2=O)C1 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Cc1cccc(C(=O)N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 426489694 SHVUTNMHNRTJDI-SFHVURJKSA-N 383.496 1.976 0 50 GDAA COc1cc2c(cc1CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1)OCCO2 95352220 FUDAOMICMVYEAF-CYBMUJFWSA-N 377.441 1.476 0 50 GDAA COc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1F 91818923 KEJVBNPCGMVJLE-UHFFFAOYSA-N 382.461 1.486 0 50 GDAA Cc1nccn1CCN(C)C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 96165190 JJRDZPHZAOWMNY-UHFFFAOYSA-N 384.484 1.743 0 50 GDAA O=C(Nc1ccnn1Cc1cccnc1)N1CCCO[C@@H](Cn2cccn2)C1 97370521 SKTAGQDLYYJVGM-QGZVFWFLSA-N 381.440 1.846 0 50 GDAA COCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)C1 97759413 KWDZUYYFKVJODM-ZDUSSCGKSA-N 381.860 1.071 0 50 GDAA CCOCC(=O)N1CCC2(CCN(Cc3c(C)noc3C)CC2)[C@H](CO)C1 97823430 ZAEFDHBJIIWIOX-KRWDZBQOSA-N 379.501 1.751 0 50 GDAA COc1ccc(CN2CCN(C)C(=O)C2)cc1OC[C@H](O)CN1CCCCC1 95511265 LTMYIHHXFUJBNF-GOSISDBHSA-N 391.512 1.195 0 50 GDAA NC(=O)Cc1nc(CCC(=O)NC2CCCC2)n(-c2cccc(Cl)c2)n1 96130390 KSMPNFPWPFLVCS-UHFFFAOYSA-N 375.860 1.940 0 50 GDAA 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397.483 1.467 0 50 GDAA COc1cccc(C(F)(F)CNC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)n1 888101662 NJCXJLYBPBMIES-WDEREUQCSA-N 377.413 1.447 0 50 GDAA O=C(NS(=O)(=O)c1ncsn1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325802299 XWPUIPMSFAHJOF-VHSXEESVSA-N 388.268 1.909 0 50 GDAA COCC(=O)N1CCC[C@@H](NC(=O)c2c(N)c(C(F)(F)F)nn2C(C)C)C1 2325828266 CERVBJIFNURXMO-SNVBAGLBSA-N 391.394 1.432 0 50 GDAA Cc1cccc(S(=O)(=O)NCCc2cccc3c2OCCO3)c1C(=O)O 2325866682 WEMOPKXFWSERBW-UHFFFAOYSA-N 377.418 1.985 0 50 GDAA O=C(N[C@H]1C=CCN(C(=O)c2cnn(CC(F)(F)F)c2)C1)c1n[nH]cc1F 2325879210 MSBRJLQXRYGZNV-JTQLQIEISA-N 386.309 1.118 0 50 GDAA NC(=O)c1ccc(-c2nc(C[C@H]3CCC(=O)N3)n(Cc3ccccc3)n2)cc1 2356160024 ZNIGPQINEYJQJA-QGZVFWFLSA-N 375.432 1.913 0 50 GDAA Cn1c(N2CCOCC2)nc2cc(C(=O)Nc3nnc4ccccn34)ccc21 2356165684 GBNRPBQRRBHLDO-UHFFFAOYSA-N 377.408 1.705 0 50 GDAA COc1ccc(OCC(=O)NCCNC(=O)COc2ccc(OC)cc2)cc1 4699411 PYPUMEPKBWVMKY-UHFFFAOYSA-N 388.420 1.394 0 50 GDAA Cn1ccnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 225540233 CKRPFBQBXGDILB-UHFFFAOYSA-N 396.900 1.791 0 50 GDAA CCN1CCO[C@@H](C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 246060607 DEXMLUIQIXKZGZ-MAUKXSAKSA-N 392.475 1.907 0 50 GDAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N(CCO)Cc1ccccc1 55167113 JIBRPUFZZGHEOW-FQEVSTJZSA-N 399.466 1.537 0 50 GDAA COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cn1 328617426 CSWKTHUYNBJRIP-RBUKOAKNSA-N 396.451 1.886 0 50 GDAA CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 328645690 SHUUPVDXUXKZEO-QFBILLFUSA-N 399.499 1.679 0 50 GDAA Cc1c(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)[nH]c2ccc(F)cc12 77421319 SWTHQBCFMLOCOY-HXUWFJFHSA-N 375.444 1.915 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)C4CCOCC4)C3)CCC2=O)cn1 77519348 BHMMPTRIFOLQMW-OAQYLSRUSA-N 386.496 1.943 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C[C@H]1O)c1ccccn1 77390077 IJIXITDKZSUJOW-GDBMZVCRSA-N 377.803 1.880 0 50 GDAA CNC(=O)c1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)o1 71613841 CVZZJWZSTSAAGU-HNNXBMFYSA-N 388.512 1.594 0 50 GDAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CN1CCCS1(=O)=O 253417980 CALCAOLNLZDNKM-NFAWXSAZSA-N 389.518 1.172 0 50 GDAA C[C@@H](NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)C(=O)N(C)C 152883740 QLQOFFCQYXGLMO-MRXNPFEDSA-N 399.495 1.052 0 50 GDAA CC1CCC(N2C[C@@H](C(=O)N3CCC(N(C)CC(=O)O)CC3)CC2=O)CC1 328646515 SPRNFSZROCBJJM-CKDBGZEDSA-N 379.501 1.421 0 50 GDAA C[C@@H]1NC(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)=NN(c2ccccc2)C1=O 363957391 AMPMIXPQHTXPPR-XJKSGUPXSA-N 382.424 1.339 0 50 GDAA COC(=O)c1csc(S(=O)(=O)Nc2ccc(OC)c(NC(N)=O)c2)c1 487405506 JKBXRMXLIUVKTQ-UHFFFAOYSA-N 385.423 1.835 0 50 GDAA O=C(CCCN1CCOCC1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72169449 RGTGSUALXFLXFL-GOSISDBHSA-N 377.460 1.198 0 50 GDAA COc1ccc(CN2C[C@H]3CC[C@@H](C2)NC3)cc1OCCN1CCOCC1 216263481 JAOHXYBZEXSNAC-OALUTQOASA-N 375.513 1.590 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)C)CC3)CC1 77341985 FXYSTUIVXOKQKC-UHFFFAOYSA-N 379.526 1.554 0 50 GDAA CNCCNC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 237384044 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CCc1nc2c(NCc3cc4n(n3)CCCN(C(=O)N(C)C)C4)ncnc2o1 91270129 RLXLMIPNTUKZEM-UHFFFAOYSA-N 384.444 1.876 0 50 GDAA COCCn1c(CN2CC(Oc3ccc(F)cc3)C2)nnc1[C@H]1C[C@@H](N)C1 244787613 QAHNOMVEUHLIGM-OTVXOJSOSA-N 375.448 1.532 0 50 GDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 245226689 IMZVWQBEDGHCFQ-CUYVQJCZSA-N 389.335 1.091 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)N1CCN(c2ccccc2)CC1 252527587 CYRZAXNRCNKTRJ-QGZVFWFLSA-N 382.420 1.643 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 299748952 IPRVCKJGOSLEKQ-ZDUSSCGKSA-N 380.198 1.560 0 50 GDAA COc1cc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)ccc1OCCN 299772597 DEFUXXMUHAOBFN-OAHLLOKOSA-N 385.468 1.469 0 50 GDAA CCc1nc(CCNC(=O)N2CCN(c3ccc(OC)cc3)C(=O)[C@@H]2C)no1 584893252 ISSIBESZTUYCOB-ZDUSSCGKSA-N 387.440 1.630 0 50 GDAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)[C@H]2CCCN(CC(N)=O)C2)c1C 952967003 GTPKLEBJJHRLCI-RDJZCZTQSA-N 383.496 1.864 0 50 GDAA COc1cc2c(cc1CNC(=O)CCN(C)[C@H]1CCS(=O)(=O)C1)CCC2 952981272 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Cc1ccc(-c2cccc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2)o1 1529192142 ORGOUBSZRDIAAT-ZWKOTPCHSA-N 378.494 1.939 0 50 GDAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)Cc1ccc3c(c1)OCO3)CC2 14745570 ZIBYJMKQAJAEND-UHFFFAOYSA-N 385.420 1.936 0 50 GDAA O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccnc(-n2cccn2)c1 1857531245 VVXFVTCDGXNNJV-RCBQFDQVSA-N 386.843 1.687 0 50 GDAA CN1CC[C@]2(C(=O)NCCn3cccn3)CCCN(Cc3nccs3)[C@H]2C1 1857670253 DDVXGCKDFHUYQX-QFBILLFUSA-N 388.541 1.442 0 50 GDAA O=S1(=O)CC[C@H](CCS(=O)(=O)N2CC(Oc3cccc(Cl)c3)C2)C1 1857690923 UXZNGOSXPPAUGN-GFCCVEGCSA-N 393.914 1.558 0 50 GDAA COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2cnccn2)CC[C@H]3O)cc1 1857692176 RNNTYFHTFHUVJI-WIYYLYMNSA-N 382.464 1.979 0 50 GDAA Cc1noc(C)c1CN1CCC2(CC1)CC(=O)N(Cc1cnn(C)c1)CCO2 1857702339 JMQQOYAXENRBPM-UHFFFAOYSA-N 387.484 1.809 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCc3nc4ccccc4n3C)CC2=O)s1 1857709658 KTUNBWPLKPINLN-GFCCVEGCSA-N 384.465 1.445 0 50 GDAA Cc1cc(C)c2c(CC(=O)N3CCC[C@@](O)(CN4CCNC(=O)C4)C3)coc2c1 1857714948 ULGROGPUHXAUKU-JOCHJYFZSA-N 399.491 1.377 0 50 GDAA CC[C@@]1(C(=O)N2CCN(CCO)CC2)C[C@@H]2CC[C@H]1N2Cc1cnsc1 1857723734 SXGONPIGSWTCRJ-YQVWRLOYSA-N 378.542 1.413 0 50 GDAA COCCN1C(=O)C[C@@H](CN=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1cnn(C)c1 328614124 VKVGYVVNKOXELB-SWLSCSKDSA-N 392.529 1.639 0 50 GDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1 20999282 MJHTWBNDSFEMLR-UHFFFAOYSA-N 385.468 1.369 0 50 GDAA C[C@@H](C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)n1ccc(C(F)(F)F)n1 910367864 MMWUMLCTUQFPJI-UWVGGRQHSA-N 380.392 1.708 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@](F)(C(=O)OC)C2)(c2ccccc2)CC1 847542822 UAHOLGDJIWAYGL-OAQYLSRUSA-N 388.439 1.846 0 50 GDAA OC1(Cn2cnc3c(N4CCC[C@@]5(CCCCO5)C4)ncnc32)CCOCC1 1875269185 LOXHNKMPXTUNEZ-FQEVSTJZSA-N 387.484 1.907 0 50 GDAA NC(=O)C12CC(CNC(=O)c3cc4occc4s3)(C1)OC21CCNCC1 1875393553 OPJQQNRZSUULJV-UHFFFAOYSA-N 375.450 1.381 0 50 GDAA CCNS(=O)(=O)c1ccc(C(=O)N=[S@]2(=O)CCC[C@@]3(CCCN3)C2)cc1 1875393982 WKPVOIOTSGFMST-GKVSMKOHSA-N 399.538 1.509 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)C1(O)CC(C)(C)C1)C2 1875396251 ZWPKYSUZRAWZOK-INIZCTEOSA-N 399.539 1.486 0 50 GDAA COCCN1C=C(C(=O)OC)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1 2481686 BIRIKJCIZIGMEK-UHFFFAOYSA-N 391.420 1.863 0 50 GDAA CCn1c(=O)n(CC(=O)Nc2ccccc2N2CCNCC2=O)c2ccccc21 2325786355 FCKRGCGZONJZLO-UHFFFAOYSA-N 393.447 1.398 0 50 GDAA Cc1ccc2c(c1)N[C@@H](C(=O)N1CC[C@H](c3cncc(F)c3)C1)NS2(=O)=O 2325810381 ICPRPPFGPJRAMS-YVEFUNNKSA-N 390.440 1.575 0 50 GDAA Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@H]3NCCc4ccccc43)cc2)n[nH]1 2325859340 WFCYKFHBWTXMMT-GOSISDBHSA-N 390.447 1.722 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 644430 HBCDIRRXYXJVHP-UHFFFAOYSA-N 380.470 1.167 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@]4(CCc5c[nH]c(=N)nc54)C3)cc2n1 2356154999 SPQMEBBBIVONFJ-HXUWFJFHSA-N 377.452 1.669 0 50 GDAA Cc1nn(C)cc1CC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356158125 XPEHIXQXATYBGM-NRFANRHFSA-N 381.480 1.850 0 50 GDAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1C[C@@H]2CCOC[C@]2(CO)C1 2356158889 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COc1ccc(-c2cc(CNC(=O)[C@@H]3CSC(C)(C)C(=O)N3)no2)cc1 426493999 JICPHUJVDPMRCI-AWEZNQCLSA-N 375.450 1.977 0 50 GDAA NC(=O)C1(NC(=O)c2cccc(-c3ccc(-n4cnnc4)nc3)c2)CCCC1 426612523 NDQCYNUPWNZHRZ-UHFFFAOYSA-N 376.420 1.857 0 50 GDAA CCc1nnc(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)s1 238950483 YJMGJRNDZADUCX-YRRQLQLVSA-N 375.454 1.419 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncccc1Cl)CC2 91876954 ZRKLLGDJGWFPQX-UHFFFAOYSA-N 375.860 1.985 0 50 GDAA CCN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1=O 95520110 UQWIWXUHVFYRJE-HNNXBMFYSA-N 387.509 1.962 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)N(C)[C@H]4CCNC4)cnc32)c(OC)c1 179080830 TUBSOWYGPWFQRN-KRWDZBQOSA-N 395.463 1.931 0 50 GDAA C[C@H](CCNC(=O)N1CCCN(C(=O)c2ccco2)CC1)N1CCOCC1 534636246 UMZNNSQQJKRCNX-MRXNPFEDSA-N 378.473 1.248 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2O)no1 299795694 LASBHNCMPBMOEC-UKRRQHHQSA-N 381.379 1.950 0 50 GDAA NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3cccs3)C2)cc1 826848849 QXXJLESYLSPTKJ-AWEZNQCLSA-N 379.507 1.790 0 50 GDAA Cc1ccccc1CC(=O)N1CCOC2(CCN(C(=O)c3cnn[nH]3)CC2)C1 827970077 XZVMNZGBPLZKDC-UHFFFAOYSA-N 383.452 1.189 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCC[C@@H]1CO 670437080 YQZWBANPGVXHLF-MRXNPFEDSA-N 394.497 1.006 0 50 GDAA O=C(NCCN1CCCC[C@@H]1CO)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 670455455 UVQVZSBJNPFFAR-GMWOYJHMSA-N 387.528 1.537 0 50 GDAA Cc1cc(NC(=O)c2ccc(-n3cnnc3)nc2)ccc1NC(=O)CN(C)C 952860012 LYUSFWKOLJDWDL-UHFFFAOYSA-N 379.424 1.723 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cn1 952982631 LUQUDSDLRFYROV-UHFFFAOYSA-N 384.436 1.344 0 50 GDAA Cc1csc(SCC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)n1 1565528946 RFFVLDQIWWLJBP-NEPJUHHUSA-N 375.541 1.426 0 50 GDAA NC(=O)c1ccc(N2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)nc1 270560758 KWPMLEBKSMKPTK-GOSISDBHSA-N 380.448 1.647 0 50 GDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)Cc1ccon1)CC2 275088160 GDUDIGXYHYBFJO-AWEZNQCLSA-N 396.421 1.596 0 50 GDAA Cc1ccn(C[C@](C)(O)C(=O)N2CCC(c3nncn3C3CC3)CC2)c(=O)c1 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COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 169497512 VIJOFSNJFFTTLZ-CXAGYDPISA-N 380.400 1.572 0 50 GDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(-n2cnnn2)cc1 206245483 IKQJTRHCWGXNKN-MRXNPFEDSA-N 391.391 1.132 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)CC2)c1 1857669573 ZFAZRJWSHVXYKI-LAUBAEHRSA-N 387.480 1.067 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3cc4n(n3)CCN(C)C4=O)[C@H](C)C2=O)cc1 1857669889 ASVOESRPWMXEKU-OAHLLOKOSA-N 395.463 1.150 0 50 GDAA CC(C)=CC[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2 1857673927 OTBPAIOCANDCSF-KVSKMBFKSA-N 377.510 1.817 0 50 GDAA Cc1nncn1CCN1C[C@@H]2COC[C@]2(C(=O)NCCc2cccc(F)c2)C1 1857691607 SBOWFDIYDGFZDS-YLJYHZDGSA-N 387.459 1.033 0 50 GDAA O=C(NCc1[nH]nc2ncccc12)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857692115 PHIASEVCENBQOD-WHSLLNHNSA-N 398.511 1.055 0 50 GDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4nc(O)n[nH]4)C3)nc2c1 1857696990 HOYFGKGNFVCEOK-NSHDSACASA-N 386.412 1.583 0 50 GDAA COCCC(=O)N1CCC2(CCC[C@@H]2NC(=O)c2nc3ncccn3n2)CC1 1857707694 GVAHPRZIISYGIF-AWEZNQCLSA-N 386.456 1.052 0 50 GDAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(CC(=O)N3CCCCC3)C[C@]23CC[C@H]1O3 1857727782 ZZOOBJICSVTDNT-BIZBXSGISA-N 377.529 1.641 0 50 GDAA CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cnn(CC(=O)NC)c1 127275778 UJTZKMFPOWCSIF-QGZVFWFLSA-N 384.484 1.298 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2ccc3nc[nH]c3c2)C[C@H]1C(F)(F)F 377102596 XUHNFMDBHXIRIH-ZWNOBZJWSA-N 390.387 1.457 0 50 GDAA O=C(NC1CN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1)[C@@H]1Cc2ccccc2O1 1875325275 KSDIOIKKKFNQHW-UWJYYQICSA-N 391.471 1.844 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2nnn3ccccc23)N1Cc1ccccc1 1875396398 FPHWMOBWPKBAEL-IERDGZPVSA-N 395.463 1.111 0 50 GDAA O=C(CNC(=O)c1cccc2[nH]ccc12)NCc1ccnc(N2CCCC2)n1 1875328461 SPDXSDFYFMJTQO-UHFFFAOYSA-N 378.436 1.604 0 50 GDAA CS[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1 1875302198 DFDCVTCWXVPGIR-AVGNSLFASA-N 376.544 1.249 0 50 GDAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCC(N2CCCS2(=O)=O)CC1 888102641 ZFPXGUPOJXDBTG-IAGOWNOFSA-N 395.529 1.576 0 50 GDAA CC1=c2cc(Br)ccc2=NC1=C(O)N(C)[C@@H]1CCS(=O)(=O)C1 2082945786 XDDGOVBHVKPHIK-LLVKDONJSA-N 385.283 1.099 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3cnc4c(c3)CNCC4)cn12 2100480629 LEEBEMXJKDWVNM-GOSISDBHSA-N 380.452 1.389 0 50 GDAA CC(=O)N[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1(C)C)C(C)C 2325794548 GWJUXJPJRACREG-RCVYVCHFSA-N 389.540 1.792 0 50 GDAA O=C(NCCN1CCCS1(=O)=O)c1nc(Cl)sc1Br 2325804386 JQVYCOIZYZUQJY-UHFFFAOYSA-N 388.696 1.324 0 50 GDAA COC1CC(C(=O)N[C@H]2CC3(CN(C(=O)c4cccc(F)c4)C3)n3ccnc32)C1 2332237571 BLFPUGXTVQWCOH-PREGVCBESA-N 398.438 1.860 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 899572 BWWSCTZAOCWXLX-UHFFFAOYSA-N 398.481 1.829 0 50 GDAA O=C(c1cnc2cccnn12)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356153328 BHAANCHNXWLYHR-OAQYLSRUSA-N 390.447 1.922 0 50 GDAA NC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 4807912 CTKPJNHLYBGEFB-HNNXBMFYSA-N 387.461 1.825 0 50 GDAA O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCOCC1 24607582 AKUHPNNNYUPKAE-UHFFFAOYSA-N 386.901 1.741 0 50 GDAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCOC2=O)CC1 20865445 OIMKOJRTYYCLIT-UHFFFAOYSA-N 377.445 1.483 0 50 GDAA O=C([C@@H]1CNCCO1)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67472777 MTTPOBYKFCJHDQ-KRWDZBQOSA-N 389.839 1.817 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCC(C)CC1)CO2 71768073 LGQPVFRRHZBHDX-KRWDZBQOSA-N 389.496 1.909 0 50 GDAA O=C(NCCc1ccccn1)c1nc(Cn2cc(Br)cn2)no1 4624563 CQNKSSNAEHJWIA-UHFFFAOYSA-N 377.202 1.444 0 50 GDAA Cc1nc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)sc1Br 328645362 ZPIMMRMNSVTPPB-VIFPVBQESA-N 391.316 1.951 0 50 GDAA COc1cc(OC)cc(C(=O)N2CC3(CCN(C(C)=O)CC3)C[C@H]2C(=O)O)c1 72481116 ARCHRIUQOWLFQG-KRWDZBQOSA-N 390.436 1.632 0 50 GDAA CSCc1noc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 219744427 OJUAWCNCJQDNPZ-KRWDZBQOSA-N 389.485 1.350 0 50 GDAA O=C(NCC(=O)N1CCC(Cn2cccn2)CC1)c1cnc2ccccc2c1O 126077087 SRQAWYABCDHGNS-UHFFFAOYSA-N 393.447 1.806 0 50 GDAA CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(Cc2nccn2C)CC1 375588359 RWXMBINKJVRKQB-QGZVFWFLSA-N 375.517 1.539 0 50 GDAA O=C(NCc1ccn(C2CCCC2)n1)N1CCC[C@H](N2CCCS2(=O)=O)C1 376083028 PLMAOEJPTSEOSS-KRWDZBQOSA-N 395.529 1.708 0 50 GDAA CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 378386821 BXNSIUSLXXCFGD-QGZVFWFLSA-N 388.468 1.341 0 50 GDAA COc1cncc([C@@H](NC(=O)c2csc(CN(C)C)n2)[C@H]2C[C@H](O)C2)c1 222722802 BZZRDRYOUNDQFZ-PPHDSNJXSA-N 376.482 1.850 0 50 GDAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CN2CCCCCC2)cc1 222246167 KHQJIKRYMQTUFJ-QZTJIDSGSA-N 375.469 1.314 0 50 GDAA O=C1NCCN(C(=O)Nc2ccnn2Cc2ccccc2Cl)[C@H]1CCO 96140191 ZWGOMGLGLZKCOF-AWEZNQCLSA-N 377.832 1.300 0 50 GDAA Cc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(=O)[nH]1 95508741 VJROVYJZGZVYKL-SFHVURJKSA-N 381.432 1.999 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3ccc(F)cc3F)cc2C1 91594787 WFAWWLFXRNPEBH-UHFFFAOYSA-N 377.395 1.517 0 50 GDAA CNc1cc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccn1 97076569 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Cc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)n1 19226166 KNXAACXMNKYSPT-UHFFFAOYSA-N 380.452 1.605 0 50 GDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)cs2)n1 1857677400 ZZBMLGFWHUNQDL-DTWKUNHWSA-N 385.371 1.617 0 50 GDAA O=C(NC[C@]1(O)CCNC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857708752 LWXCGARJVWOZNG-SFHVURJKSA-N 378.860 1.538 0 50 GDAA Cn1cnnc1Sc1ccc(CN2CCC3(CC2)CNC(=O)CCO3)o1 1857731492 SGGKKXRODBIOBV-UHFFFAOYSA-N 377.470 1.430 0 50 GDAA CCS(=O)(=O)N1CCOC[C@@H](CN2CCc3cc(OC)c(OC)cc3C2)C1 1857733026 RNRWXERUTRGMGV-HNNXBMFYSA-N 398.525 1.360 0 50 GDAA COCCC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NC3CC3)[C@@H]2c2ccccc2)C1 1857736511 JYJUJOKHIIJYPI-ZWOKBUDYSA-N 385.464 1.102 0 50 GDAA Cc1nc2ncccn2c1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210280377 KGPCFRCPYHMJQC-CABCVRRESA-N 380.404 1.757 0 50 GDAA COc1ccc([C@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]2NC(C)=O)cc1 222193974 IBPIBQSIVABCLO-UXHICEINSA-N 387.480 1.384 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CSc1ccccc1)C2 247969758 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Cc1ccc(-c2nc(N[C@H]3CCC(=O)NC3=O)cc(N3CCOCC3)n2)cc1 1857797736 IFGQXWAVCPNKFY-HNNXBMFYSA-N 381.436 1.506 0 50 GDAA C[C@H](O)C(=O)N1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N(C)C)CC1 2325716891 ADGAJRALCNYPMJ-XHDPSFHLSA-N 388.295 1.648 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc12 2325730477 QOJNJALNMDQQTA-AWEZNQCLSA-N 386.408 1.909 0 50 GDAA CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C)c3cccnc23)nn1 2325794011 OBUXJSGQMYSTDA-GJZGRUSLSA-N 390.447 1.894 0 50 GDAA CC(C)(C)OC(=O)N1CCCN(C(=O)N2CCS(=O)(=O)CC2)CCC1 2325807204 HNLFUBNQPIVKBU-UHFFFAOYSA-N 375.491 1.170 0 50 GDAA NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]3C=CC[C@H](C3)C2)[C@@H](c2ccncc2)C1 2325872507 AUNYKGJJRBZIKE-CIRFHOKZSA-N 382.464 1.271 0 50 GDAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)OCO2 814528 LUVRBAJCKPPRHE-UHFFFAOYSA-N 390.461 1.536 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@]12CCCNC2=O 2356159986 YDSYCFHWQJTKDU-SFHVURJKSA-N 390.465 1.314 0 50 GDAA COC[C@@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cnc(C)[nH]c1=O 55036083 XKAXQKRLKFODJX-GFCCVEGCSA-N 375.425 1.773 0 50 GDAA COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc1 20590048 NSFZGLFUONQPRW-MRXNPFEDSA-N 382.464 1.512 0 50 GDAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 421903527 FDFFRANKBYMWIX-OAHLLOKOSA-N 389.419 2.414 0 50 GDAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)NCc1ccc2c(c1)OCO2 65364483 NUPHSKYJORWDEI-UHFFFAOYSA-N 391.430 1.827 0 50 GDAA N[C@@H]1CCN(Cc2cn(C3CCN(c4cnc5ccccc5n4)CC3)nn2)C1 23145135 UGUHYZBNHAPTGL-OAHLLOKOSA-N 378.484 1.596 0 50 GDAA COc1cc(CN2CCN(Cc3cn(C)nc3C)C[C@H]2CCO)cc(OC)c1 39541241 DFKNRYCINUIOMF-LJQANCHMSA-N 388.512 1.815 0 50 GDAA Cc1ccc(C[C@@H](CO)CNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)cc1 252485297 GQOHQMDFCIXXKY-MRXNPFEDSA-N 394.493 1.728 0 50 GDAA COC(=O)c1cc(C)nc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)n1 77285884 HXJJUGCWTIYHNZ-LJQANCHMSA-N 376.457 1.163 0 50 GDAA COc1ccccc1NC(=O)C[C@H]1COCCN1C(=O)N1CCN(C)CC1 72422539 NMAALHLJTAJUFI-HNNXBMFYSA-N 376.457 1.092 0 50 GDAA CS(=O)(=O)N1CCN([C@H](c2ccsc2)c2sc3ncnn3c2O)CC1 218440926 UHVQZMYXUQKXFW-LLVKDONJSA-N 399.523 1.225 0 50 GDAA CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72150528 PRLSNTBCVFRGKN-INIZCTEOSA-N 389.521 1.781 0 50 GDAA CCC[C@H]1CN(C(=O)Cc2ccc(OC)cc2OC)C[C@@H]1NS(C)(=O)=O 219371031 MPPCVOZRXNJLHJ-HOCLYGCPSA-N 384.498 1.423 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3)nc2)cc1Cl 368992322 MWNLVURWDGXDCW-UHFFFAOYSA-N 391.840 1.498 0 50 GDAA O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cn(C2CCNCC2)nn1 238119537 IPHWADGIODJFKF-OAHLLOKOSA-N 384.267 1.973 0 50 GDAA O=C(C1CC1)N1CCC(N2CCC[C@@H](C(=O)N3CC(n4cccn4)C3)C2)CC1 71747301 JUTNUPKRDYWSRM-QGZVFWFLSA-N 385.512 1.379 0 50 GDAA Cc1cc(I)ccc1S(=O)(=O)N1CCN(C)CC1 35993539 LXTNEYJLINLIQI-UHFFFAOYSA-N 380.251 1.536 0 50 GDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21 36089397 TWHWFVXJMBHCIN-UHFFFAOYSA-N 379.482 1.771 0 50 GDAA CCCSc1nnc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)s1 72140601 ITLKJUWYPSXDPL-UHFFFAOYSA-N 393.560 1.497 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]3C1=O 77485449 YKESGKDVBMZOLY-VZRKHXGSSA-N 396.422 1.802 0 50 GDAA C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn12 223222073 PCEAKJLIMMMQEZ-OCCSQVGLSA-N 396.407 1.400 0 50 GDAA NC(=O)[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc(F)cc1 132634113 PPVPDRUSKVONLO-LJQANCHMSA-N 380.379 1.392 0 50 GDAA CCOC(=O)NCCC(=O)N1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1 286639084 XCJNXMRVOTYPGS-HNNXBMFYSA-N 393.488 1.084 0 50 GDAA C[C@H]1CN(c2ccc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)cc2F)C[C@@H](C)O1 229898572 OJAQRMKBUZYNKX-ZHRONYKTSA-N 382.457 1.589 0 50 GDAA CC[C@@H]1CN(Cc2cn(C3CCN(C4CCN(C)CC4)CC3)nn2)CCO1 48066976 JVYOQYFWOSXKAL-HXUWFJFHSA-N 376.549 1.620 0 50 GDAA Cn1cc(CCC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 95381041 CKJVNYPVNJAWCN-INIZCTEOSA-N 382.472 1.132 0 50 GDAA CN(CCO)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1 95368807 STHVRVRMZWYABI-AZUAARDMSA-N 385.508 1.978 0 50 GDAA CCCN1C[C@@H](NC(=O)c2cccc(COC)n2)C[C@H]1C(=O)N(CC)CC 96133024 GQZPVTQGROBKPM-WMZOPIPTSA-N 376.501 1.679 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(Cc1ccc(S(C)(=O)=O)cc1)CCN2C 91461978 LNVVACRRSWCHKB-LJQANCHMSA-N 379.526 1.219 0 50 GDAA O=C(CCn1cncn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95505264 QRKGHKNOZKDROT-ZLGUVYLKSA-N 395.463 1.486 0 50 GDAA O=C(NCc1cnc(-c2ccccc2)s1)c1cnc(Cn2cncn2)nc1O 91304759 ZDOVUPRIYYQNBL-UHFFFAOYSA-N 393.432 1.876 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c23)C1 245254839 CKOJGFHGSSSALX-QWHCGFSZSA-N 391.907 1.823 0 50 GDAA O=C(Cn1cc2ccccc2n1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 243932701 BYEITOXJVHXLLI-BBWFWOEESA-N 392.463 1.460 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)CN1C(=O)CSc2ccccc21 299749215 JMDHXKOAPNWGPR-ZDUSSCGKSA-N 378.450 1.608 0 50 GDAA O=C(c1ccc(-c2cncc(O)n2)cc1)N1CCCN(c2ncccn2)CC1 534656692 MBTSTAQMKILWOJ-UHFFFAOYSA-N 376.420 1.992 0 50 GDAA O=C(c1cc(O)nc(C2CC2)n1)N1CC(c2ncc(Br)cn2)C1 1347419261 IVWLLSGQGXCQEG-UHFFFAOYSA-N 376.214 1.852 0 50 GDAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1nc2cccnc2s1 194020207 SYMOWOUBTMZLDO-INIZCTEOSA-N 396.472 1.891 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1O 1615740396 XTVZHTNPFSOMSM-NQIIRXRSSA-N 386.517 1.942 0 50 GDAA Cc1ccc(C(=O)O)c(N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)n1 1775980567 ZVNQFCYQFKTRAJ-UHFFFAOYSA-N 382.424 1.427 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cn[nH]c2)CC1 12440110 ZJEONXQIAINUDT-LJQANCHMSA-N 389.544 1.962 0 50 GDAA O=C(NCCN1CCN(c2ncccn2)CC1)NC12CC3CC(CC(C3)C1)C2 13802816 FFAYIKMJZHQVBI-UHFFFAOYSA-N 384.528 1.867 0 50 GDAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N3C2)cc1Cl 14537891 SJLOHBOGRZWITA-QEJZJMRPSA-N 378.860 1.894 0 50 GDAA COc1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 14543100 OCOVJTBCXQATTA-RBUKOAKNSA-N 393.443 1.089 0 50 GDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)cc(OC)c1 14966229 FRNZICNFGGEMFG-SFHVURJKSA-N 375.469 1.453 0 50 GDAA CCOc1ccc2nc(N3C[C@H](C(=O)NC(C)(C)CO)CC3=O)sc2c1 1857667276 LSFSUXJPLVZIGX-LLVKDONJSA-N 377.466 1.935 0 50 GDAA Cc1ncnc(C)c1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1noc(C(C)C)n1 1857688655 VCLKUMDHOIJECX-GJZGRUSLSA-N 398.467 1.658 0 50 GDAA Cc1cnc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)COC[C@H]2CCCCO2)[nH]1 1857689620 UDNHOYLPHPBXNH-YZLZLFLDSA-N 376.501 1.630 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cccnc2)C[C@H]1N=c1cc[nH]c(=N)[nH]1 1857691661 VFDPRZLIHJDKNA-GVDBMIGSSA-N 384.484 1.398 0 50 GDAA CC1CCN(C(=O)COc2ccccc2CN2CCOC[C@@H](C(=O)O)C2)CC1 1857694034 XOXMVZBYMMIIPW-SFHVURJKSA-N 390.480 1.857 0 50 GDAA CC(C)(C)CCN1C[C@@H]2[C@H](CNC(=O)CN3CCOC3=O)[C@H]3CC[C@]2(C1)O3 1857730737 ZWZGDVWFXSPQLG-QCBUCWTNSA-N 379.501 1.470 0 50 GDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](NCC(C)(C)CO)C2 14754827 MTYIIFBXDFDNFG-MRXNPFEDSA-N 388.487 1.955 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn4nccc4c3)CC2)cc1 1152842112 ZUJUOYJTSLWVNX-UHFFFAOYSA-N 384.461 1.789 0 50 GDAA CC(C)(C)OC(=O)N1CCC(n2[nH]nnc2=NC(=O)c2ccsn2)CC1 1875339593 PSLBFJJVIABXMZ-UHFFFAOYSA-N 379.446 1.376 0 50 GDAA CNC(=O)c1cccc(CN[C@H]2CCCN(C(=O)c3coc(C(N)=O)c3)C2)c1 1875307205 XDTHTYHHMGJHHP-INIZCTEOSA-N 384.436 1.133 0 50 GDAA CCc1occc1C(=O)N[C@H](C)Cn1cc(CN2CCCC[C@H]2C(=O)O)nn1 1875355352 HPGMWWQPHFUPNZ-CJNGLKHVSA-N 389.456 1.691 0 50 GDAA CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)N=c1nnn(C)[nH]1)Cc1ccccc1 1875339575 OWXUMKJMEDZQME-AWEZNQCLSA-N 389.460 1.232 0 50 GDAA CCS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 888101676 NZOXWYPFRRWWLG-GXTWGEPZSA-N 388.511 1.245 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cncc(N3CCOCC3)c2)C1 1772506189 VVSBTNHBLWTLJO-HNNXBMFYSA-N 398.467 1.620 0 50 GDAA COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 4974087 ZXKGQQSCIWDTGJ-UHFFFAOYSA-N 378.406 1.934 0 50 GDAA Cc1ccc([C@@H](CNC(=O)C2=NN(C(C)C)C(=O)CC2)N2CCOCC2)cc1 2325723350 CGHIHWLLBQPEOZ-LJQANCHMSA-N 386.496 1.871 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4ncnn34)C1)CC2 2356143055 SRRVEURFTFQHGI-FQEVSTJZSA-N 377.452 1.706 0 50 GDAA CCNC(=O)Cn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C/C(=O)C1CC1 222074500 HSVIADHJCCFRGB-LNTWMMFKSA-N 376.503 1.004 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cc1 55271503 IZVVSODEGVUSSR-INIZCTEOSA-N 375.450 1.550 0 50 GDAA CCOC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55340944 PFTVHBVYHBZFLF-HNNXBMFYSA-N 399.850 1.239 0 50 GDAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)c1ccccc1O)C2 65397571 RYHJIDFVWLVVQI-UHFFFAOYSA-N 377.404 1.570 0 50 GDAA Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(-n2cccn2)n1 65362279 ZBXIQQMEQYWKKZ-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA COC(=O)c1sc(NC(=O)CN2CCCN(c3ccncc3)CC2)nc1C 65386969 PGIJKMMKXTXAJS-UHFFFAOYSA-N 389.481 1.784 0 50 GDAA NC(=O)c1cc2c(nc1N1CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C1)CCC2 65405525 LRCYHJNZLFILGY-WMLDXEAASA-N 381.432 1.753 0 50 GDAA C[C@]1(c2ccc(-c3noc([C@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)cc2)NC(=O)NC1=O 351407480 HTHMQTSMTVSTFR-ICBBJDJVSA-N 393.403 1.162 0 50 GDAA CCCn1ncc(C(=O)N2CCOC[C@H]2CC(=O)N2CCSCC2)c1C 72410624 KSJYKAPGRPQQKG-OAHLLOKOSA-N 380.514 1.408 0 50 GDAA Cc1nc(C(=O)N[C@H](CO)Cc2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1 120244313 MBZOHLQEYXIGNW-NSHDSACASA-N 395.345 1.046 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 328640518 XJOSPJXIJJVVEL-OAHLLOKOSA-N 380.518 1.336 0 50 GDAA CN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)C[C@H]1c1ncc[nH]1 328627994 NGXHONCXJAABST-NSHDSACASA-N 380.861 1.388 0 50 GDAA CCN(C)C(=O)CNC(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 363936604 YOSJCCDPIXTQPR-UHFFFAOYSA-N 393.463 1.484 0 50 GDAA CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 77287502 LOFXLRMRAXPOFI-MRXNPFEDSA-N 381.498 1.574 0 50 GDAA CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCC[C@]3(CCCCO3)C2)CC1 364600623 DBCKMXODTLMYLU-GOSISDBHSA-N 387.546 1.934 0 50 GDAA O=S(=O)(N[C@H]1CCCN(CCN2C[C@@H]3CC[C@H](C2)O3)C1)c1cccc(F)c1 329347080 CJARKFFAYGQPRO-OKZBNKHCSA-N 397.516 1.432 0 50 GDAA CS(=O)(=O)c1cnc(NCc2n[nH]c3c2CCC3)nc1[C@H]1CCCNC1 72457937 IPGOCVWROMLLGG-NSHDSACASA-N 376.486 1.171 0 50 GDAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)N2CCCC2)CC1 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O=C(NCCNC(=O)c1ccccc1F)c1nc(Cn2cc(Cl)cn2)no1 20494725 BSRPPVOKUXLVHX-UHFFFAOYSA-N 392.778 1.267 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cc(C2CC2)on1 426475603 XZKDSAOCRIDEBG-SFHVURJKSA-N 382.464 1.867 0 50 GDAA CN(C)C1=NC2(CCN(C(=O)NCc3ccnc4ccccc34)CC2)C(=O)N1 426491405 JIAULUZFCBPPKU-UHFFFAOYSA-N 380.452 1.326 0 50 GDAA COc1cc(-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)nc(OC)n1 426509905 CTCQBQNGCARDOX-UHFFFAOYSA-N 377.422 1.031 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 97784773 CWBUHKXESAMYBW-ZDUSSCGKSA-N 379.420 1.345 0 50 GDAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)nc12 95520290 DEZRZIIFJWHYFW-CYBMUJFWSA-N 381.436 1.289 0 50 GDAA CSc1nc(N)cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 95511464 HRVPRAHMAQCRKX-CMPLNLGQSA-N 376.511 1.865 0 50 GDAA Cc1nc(CCC(=O)N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n[nH]1 92065941 MNZZRBMVUKVCOS-UHFFFAOYSA-N 396.495 1.872 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cccc(COC)n2)CC1 96150526 RITLWXBBZZJABH-UHFFFAOYSA-N 386.500 1.921 0 50 GDAA O=C1C[C@H](C(=O)O)C2(CCN(CCC(=O)N3CCc4ccccc4C3)CC2)N1 95366768 DUDAUMQNDHTPES-QGZVFWFLSA-N 385.464 1.017 0 50 GDAA C[C@@H]1CCCN(c2cc(C(=O)NC[C@@H]3CCn4ncc(C(N)=O)c4C3)ccn2)C1 293120390 DGIXSBSOTCYMCO-HUUCEWRRSA-N 396.495 1.606 0 50 GDAA Nc1cc(-c2cccc(C(=O)N[C@H]3CC[C@@H](N)C3)c2)nc(N2CCOCC2)n1 534661852 UTNFQGZNFBXSIP-CVEARBPZSA-N 382.468 1.172 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)[C@H]2CCCO2)CCO3)nc(C)n1 825264515 RQFWSZZJUSRMCU-QGZVFWFLSA-N 388.468 1.106 0 50 GDAA CN(CCC(=O)N(C/C=C/c1ccccc1)CCO)[C@H]1CCS(=O)(=O)C1 952871667 AJNIHLJVGXNPJF-MOTZXUDYSA-N 380.510 1.030 0 50 GDAA Cc1oc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1C(=O)O 268944267 VDVOEYXDVXLYMU-UHFFFAOYSA-N 392.433 1.881 0 50 GDAA Cc1nc(CCNS(=O)(=O)c2cccc3c2OCCO3)sc1C(=O)O 275186742 DZSCUBYQJMIQNE-UHFFFAOYSA-N 384.435 1.442 0 50 GDAA O=C(NC[C@@H]1CCC2(CCN(C(=O)CCc3cn[nH]c3)CC2)O1)c1ccco1 1506420178 XEFLAIHUMGTLIY-INIZCTEOSA-N 386.452 1.906 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4c3COCC4)C1)CC2 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COCCNC(=O)c1cn(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)nn1 15003809 SFRYZHILBWHUGD-UHFFFAOYSA-N 385.468 1.748 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N[C@H](c1ccccc1)c1ccco1 19227357 URDPKHNRSAREDJ-HXUWFJFHSA-N 396.451 1.394 0 50 GDAA COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c(O)n2ccccc2nc1=O 205945758 RPIQJZNZZOEKJR-CQSZACIVSA-N 382.372 1.882 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCc3nc(-c4ccccc4)no3)CC2=O)s1 1857667883 OJXAWSNPSZGSFZ-CYBMUJFWSA-N 398.448 1.608 0 50 GDAA COCCn1cncc1CNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857668195 RWTKTHLOTXVNHO-OAHLLOKOSA-N 398.467 1.989 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3cc(N4CCC(O)CC4)ncn3)C1)CC2 1857668390 HDGQOTDQXJRZKR-NRFANRHFSA-N 396.495 1.726 0 50 GDAA O=C(CCCn1cncn1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857668736 USSMUBJUKJPTNK-ROUUACIJSA-N 383.452 1.087 0 50 GDAA COc1c(F)ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1F 1857684819 FPBLAZLEDKPCSW-RDJZCZTQSA-N 394.422 1.851 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc4c(c3)CCCO4)C[C@H]2CO1 1857686298 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386.235 1.097 0 50 GDAA COc1ccn2c(CN3C[C@@H]4COCC[C@@]4(C(=O)N4CCCC4)C3)cnc2c1 1875397398 YPWFLXALBYXGDK-IIBYNOLFSA-N 384.480 1.804 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)C1(OCc2ccccc2)CCOCC1 1875402113 BWXJHBGHXGCAJL-XUVXKRRUSA-N 399.491 1.905 0 50 GDAA NCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cc1 2325897041 MTHSUDZQWMZFOQ-KRWDZBQOSA-N 392.415 1.159 0 50 GDAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@H]1CCCN2CCSC[C@@H]12 928075406 OBTVLBVXQUADDI-SQNIBIBYSA-N 388.537 1.839 0 50 GDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 898183 SCSYKSZKLHDTGO-UHFFFAOYSA-N 376.390 1.689 0 50 GDAA COc1cccc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)c1 1172207 KUSUOKWJWFHSHE-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4nn[nH]c4c3)C1)CC2 2356138832 QULMQIFUZDKJIG-FQEVSTJZSA-N 377.452 1.934 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N)OCC(=O)N2C2CC2)cc1 2356151720 VKXNYNPBIVHNBO-SOCIYPEWSA-N 399.491 1.322 0 50 GDAA 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COCC(=O)Nc1cc(NC(=O)C2CCN(C(=O)C3CC3)CC2)ccc1OC 952992047 YMTFINIEHVNZEM-UHFFFAOYSA-N 389.452 1.867 0 50 GDAA O=C1CO[C@H](C(=O)NCc2coc(-c3ccccc3)n2)[C@@H](c2cccnc2)N1 1529133981 JTURJIZMPRFAKZ-MSOLQXFVSA-N 378.388 1.609 0 50 GDAA CN(CCn1ccc2ccccc21)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529180628 MMTGSMQJULTRCN-UXHICEINSA-N 378.432 1.751 0 50 GDAA Cn1ccnc1CCNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772814838 DPTLTCDPXPEJHL-CYBMUJFWSA-N 375.498 1.177 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4n[nH]c5c4CCC5)C[C@@]3(CO)C2)c(C)o1 1772702970 FJBLPEFLMFBDFH-LHSJRXKWSA-N 398.463 1.315 0 50 GDAA Cc1nc(CN2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@]3(CO)C2)sc1C 1772700935 GRROPPFEFPIGKO-APWZRJJASA-N 379.526 1.439 0 50 GDAA CN(CC(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1)Cc1ccncc1 1857679480 WIYLEKUMMNWWMD-QFIPXVFZSA-N 394.475 1.789 0 50 GDAA CN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(F)c2F)C1 1857680267 FPSVVJLFJJHXDO-CHWSQXEVSA-N 375.441 1.331 0 50 GDAA CCS(=O)(=O)N1C[C@@H](C(=O)O)C2(CCN(C(=O)CC3CCCC3)CC2)C1 1857692852 XEBIZSUXVBTPFM-HNNXBMFYSA-N 386.514 1.542 0 50 GDAA COCCn1cncc1CNC(=O)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 1857693902 RJTNEEOKDGQJHX-VQIMIIECSA-N 390.509 1.356 0 50 GDAA COc1ccc(C(C)C)cc1S(=O)(=O)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857729054 SOSCRNSUKHTQMK-WFXMFSGNSA-N 381.494 1.979 0 50 GDAA CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2 14750087 LKNDQGKFWGPNKH-UHFFFAOYSA-N 397.435 1.781 0 50 GDAA CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 252540363 PETQAPHVPWKJAV-ZDUSSCGKSA-N 378.439 1.911 0 50 GDAA CCN(C1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1)S(C)(=O)=O 1875394668 RDKGFJGIKZYYLP-NWDGAFQWSA-N 384.502 1.318 0 50 GDAA CN(C)C(=O)c1cc2n(n1)CC1(CCN(c3nccc(N(C)C)n3)CC1)OC2 1775961967 KWBUCJCFBTUADR-UHFFFAOYSA-N 385.472 1.010 0 50 GDAA O=C(Cn1cc(I)cn1)NCCc1nc2ccccc2[nH]1 4625274 AEGSJFLATZTTIW-UHFFFAOYSA-N 395.204 1.723 0 50 GDAA CN(C)[C@H](CNC(=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 2325807059 XBXQJUJBHUYMGS-RHSMWYFYSA-N 387.463 1.289 0 50 GDAA CC(C)(C)[C@@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)N1CCCC1=O 2325813194 VJCPEAMMGJRILC-DENIHFKCSA-N 387.524 1.777 0 50 GDAA Cc1c(C(=O)N=c2[nH]n(C)cc2CN)cnn1-c1ccc(Br)cc1 2325856365 MNKBGNQREWMMMJ-UHFFFAOYSA-N 389.257 1.810 0 50 GDAA Cc1c(Cl)cccc1-n1nc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(=O)cc1C 1857797938 FSUMCDTUGFLOAN-GFCCVEGCSA-N 388.811 1.038 0 50 GDAA CN(C)C(=O)C1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCC1 113119801 ZGHQSMVVBGJNRH-GOSISDBHSA-N 385.508 1.985 0 50 GDAA CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 20500483 CUUHRCWWEWYWJZ-KRWDZBQOSA-N 391.493 1.915 0 50 GDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100550065 KXKLBHOJLHFLEY-TUEPYVCHSA-N 383.400 1.617 0 50 GDAA CNC(=O)c1nc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)no1 67740764 PGBHHUGSCBRZSS-UHFFFAOYSA-N 383.364 1.371 0 50 GDAA COC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 20203376 KQGSPFPGHNRPSI-LJQANCHMSA-N 399.535 1.619 0 50 GDAA O=C(NCc1ncc[nH]1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20515502 IOEKFZIPFCCDMM-UHFFFAOYSA-N 380.452 1.646 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)c3cc(C)n4nc(C)cc4n3)C2)nn(C)c1=O 67817699 GMGODGPZUUOLOE-CQSZACIVSA-N 383.456 1.281 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2nccc(N[C@H]3CCCO[C@H]3C(C)C)n2)C1 328631560 KQDPLZBRLLHSRJ-VYDXJSESSA-N 397.545 1.610 0 50 GDAA CN1C(=O)C[C@@H](CNCc2cnn(Cc3ccccc3)c2)[C@@H]1c1cnn(C)c1 328639656 WYMZMXRNJQCEGQ-GHTZIAJQSA-N 378.480 1.974 0 50 GDAA CS(=O)(=O)N1CCc2c(ncn(Cc3noc(C4CCCCC4)n3)c2=O)C1 328603971 HXUJYGJMBWNDAY-UHFFFAOYSA-N 393.469 1.040 0 50 GDAA O=C(Nc1n[nH]c(=O)[nH]1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 253433065 RIVMWEQIFOVQGQ-UHFFFAOYSA-N 377.357 1.290 0 50 GDAA CCC[C@@H]1CN(C(=O)c2csc(O)n2)CCN1C(=O)c1csc(O)n1 329927973 XKYABZAGOJPPTC-SECBINFHSA-N 382.467 1.778 0 50 GDAA O=C(NCC(=O)N1CCc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1O 363595681 SSQVMTPBKSBMSM-GOSISDBHSA-N 393.443 1.702 0 50 GDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3ccc(F)cc3F)nn2)n1 72115771 UYIMDHCSIBXATD-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA Cc1cc(C)cc(CSCC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77407265 AVQJXMTYRNXTHT-SJORKVTESA-N 382.551 1.476 0 50 GDAA COc1ccc2c(c1)OC[C@@H](NC(=O)CN1CCN(c3ccccn3)CC1)C2 371317021 MQQSLEMJLOKAKI-KRWDZBQOSA-N 382.464 1.332 0 50 GDAA COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cnc[nH]2)c2nccn2C)c1 377653773 IMTMMSIPIKRXSB-OAHLLOKOSA-N 377.426 1.228 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)CN(C)c3ccccc3)C2)CCC1=O 82097085 JVFLGGLAFIDFEI-JOCHJYFZSA-N 386.540 1.916 0 50 GDAA CCn1nccc1C(=O)N1CCC(c2nnc(Cn3cccn3)n2CC)CC1 96133222 NULCLOBLVBPYHD-UHFFFAOYSA-N 382.472 1.779 0 50 GDAA COc1ccc(OC)c(C(=O)N2C[C@@H](CO)C[C@H](CN3CCOCC3)C2)c1 91473939 VTJJIRRLMOKGAY-CVEARBPZSA-N 378.469 1.107 0 50 GDAA CCN1CCN(C[C@@H]2CN(Cc3ccc(OC)c(C)c3C)C[C@@H]2CO)CC1 91985716 XIOMEWKGXXNZQI-NHCUHLMSSA-N 375.557 1.990 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 92065062 WZTDJFXGOJOYBT-NRFANRHFSA-N 399.447 1.514 0 50 GDAA Cc1ncsc1CCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 92081005 OZUCCBYWGPSUEX-MSOLQXFVSA-N 394.585 1.621 0 50 GDAA Cn1cnnc1CN1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 95503700 GYGPDQLTCSFICG-UHFFFAOYSA-N 385.468 1.331 0 50 GDAA CSc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 91645077 NEYXOQCOCLQZQL-UONOGXRCSA-N 375.494 1.560 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc3cccnc23)C1 244563992 CKURCKRXOUEXHK-GASCZTMLSA-N 381.436 1.641 0 50 GDAA Cc1cc(N2C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CC2=O)ccc1F 183688386 JFIALKFXLPPKFY-HNNXBMFYSA-N 383.427 1.626 0 50 GDAA CN(C)c1nc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)n[nH]1 299768695 YVSCZLCWMDQXJA-UHFFFAOYSA-N 378.440 1.290 0 50 GDAA Cn1ccn2ncc(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)c12 827968263 JRUUAZVHWMSNAP-UHFFFAOYSA-N 383.408 1.163 0 50 GDAA CN(Cc1nc2c(s1)CCCC2)C(=O)NCc1nc(-c2cnccn2)n[nH]1 584900638 KXLRFZSDAGUYII-UHFFFAOYSA-N 384.469 1.939 0 50 GDAA Nc1ncc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)c(-c2ccccc2)n1 827587530 MIQIYEBOCNQQCN-UHFFFAOYSA-N 386.419 1.878 0 50 GDAA CC1(C)CCN(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)CC1 952863189 CFKGSZFLUNCKMX-INIZCTEOSA-N 380.514 1.529 0 50 GDAA C[C@H](CC(N)=O)N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 952991294 NDZXNEWDSUDKFS-SSDOTTSWSA-N 380.348 1.573 0 50 GDAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NOCc1ccccc1 755778041 VPNZJXHXOPXAKD-UHFFFAOYSA-N 389.477 1.241 0 50 GDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1506395982 FNMZEYHGZNUASH-MRXNPFEDSA-N 393.534 1.887 0 50 GDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)Cc2c(C)nc(O)nc2O)n1 1506418302 WDELWKPVQONPFD-QMMMGPOBSA-N 387.362 1.715 0 50 GDAA COc1ccc(CCC(=O)NC[C@@H]2CCCN(CCS(C)(=O)=O)C2)cc1 1506407907 TXPYIURMMDOFQR-KRWDZBQOSA-N 382.526 1.501 0 50 GDAA CNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cn1 1529145809 NFZIEUFMKAIEOV-HNNXBMFYSA-N 383.452 1.744 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2ccsc2n1 1529153833 VYXXXIVJINKELK-LLVKDONJSA-N 379.467 1.821 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3CCN(C)C4(CCOCC4)C3)n2)c1 1800410368 RWURCNKGWVPFPX-UHFFFAOYSA-N 383.500 1.802 0 50 GDAA COC(=O)[C@@]1(CC(C)C)N[C@@H](c2ccc(OC)c(O)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 209783658 CGMFSQFKDNQTFQ-ULMVMLMRSA-N 390.436 1.234 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1C[C@@H]2CNC[C@]2(CO)C1 1772709199 HVXKHHWUMSKHJF-HRAATJIYSA-N 377.448 1.134 0 50 GDAA Cc1ccc(CC(=O)N2C[C@H]3CN(C(=O)c4cccc(O)c4)C[C@@]3(CO)C2)cc1 1772709398 JHEGCDAWRBHEML-WMZHIEFXSA-N 394.471 1.836 0 50 GDAA CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O 5114736 QTMMGCYGCFXBFI-UHFFFAOYSA-N 386.408 1.837 0 50 GDAA in-vitro CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC[C@@H]2COCCO2)nn1 12282018 CGOZJYFQBKFJLW-MRXNPFEDSA-N 390.415 1.163 0 50 GDAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1csnn1 19112314 IFZXJFQCNNFWRS-UHFFFAOYSA-N 381.465 1.585 0 50 GDAA CC1=C(C(=O)OCCOc2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 19771398 NRDIEHIPQVSJSN-NHCUHLMSSA-N 381.384 1.259 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)CN1CCN(c3cccc(C)c3)CC1)C2 1857677829 NWZBDAZOONTKAV-OAQYLSRUSA-N 386.496 1.560 0 50 GDAA COc1cccc(-c2cn3c(C(=O)N4C[C@H](CO)[C@@H](CO)C4)csc3n2)c1 211171010 HVQHOEJGUKQCDM-ZIAGYGMSSA-N 387.461 1.744 0 50 GDAA C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C[C@@H](C)N1 154054095 QPUONLYXUBRUSH-TXEJJXNPSA-N 389.315 1.573 0 50 GDAA O=C(O)CNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 262482963 KRVJGKRODSAVOQ-HNNXBMFYSA-N 399.403 1.727 0 50 GDAA CC(C)N(CC(=O)N1CCCCCC1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 861685459 GWCRWPQLDWKOCT-OAHLLOKOSA-N 385.505 1.512 0 50 GDAA Cn1nncc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1-c1ccc(F)cc1 952895898 XSXCXDPFQVTALS-HNNXBMFYSA-N 390.444 1.912 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNc2ncc3c(n2)CCOC3)N1Cc1ccccc1 1875392908 ZEYQUWZXYCKHSK-IERDGZPVSA-N 384.480 1.613 0 50 GDAA CC(=O)NCC12CC(C(=O)NCC3(C)CC(F)(F)C3)(C1)C1(CCNCC1)O2 1875393047 DWZHKWQJHIYUQL-UHFFFAOYSA-N 385.455 1.346 0 50 GDAA CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 1875304985 BQDXKHVATTWVEJ-XLIONFOSSA-N 392.471 1.344 0 50 GDAA NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H]1C[N@]1CC1CC1 1875384634 HRZQPZKVGITGJB-XOBRGWDASA-N 379.482 1.043 0 50 GDAA CC(C)C[C@@H](C)C(=O)N1CCC(O)(CNC(=O)CCCNC(=O)C2CC2)CC1 1775990411 GNKFDRFUTCTQGD-MRXNPFEDSA-N 395.544 1.445 0 50 GDAA O=C(c1ccc(=O)n(-c2ccccc2F)c1)N1CCN(Cc2ncc[nH]2)CC1 2325747094 RFFICZARAORFOV-UHFFFAOYSA-N 381.411 1.658 0 50 GDAA Cc1nc2n(c1C(=O)N1CCN([C@H](C(N)=O)c3ccccc3)CC1)CCCC2 2325804470 RKVWOWVMRGRKLX-IBGZPJMESA-N 381.480 1.512 0 50 GDAA O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 2325805727 MUNILJCOLPEDIO-CKEIUWERSA-N 399.465 1.447 0 50 GDAA O=C(CC1(C(=O)O)Cc2ccccc2C1)NCCn1cnc2sccc2c1=O 2325851860 LLYSOFXYQYUHSN-UHFFFAOYSA-N 397.456 1.834 0 50 GDAA C[C@](N)(CNC(=O)c1nc[nH]c2ncc(Br)c1-2)Cn1cccn1 2325859394 XSIMYNDFBNDTHG-AWEZNQCLSA-N 378.234 1.016 0 50 GDAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCOCC1 807212 RMBYFYSAEBYATL-UHFFFAOYSA-N 390.461 1.403 0 50 GDAA COc1cc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(OC)c1 986491 AZAPBKJOEMZEBY-MRXNPFEDSA-N 379.482 1.724 0 50 GDAA O=C(c1nnc2n1CCCC2)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356148776 QYTSAKVGEHTWRY-NRFANRHFSA-N 394.479 1.807 0 50 GDAA CCS(=O)(=O)c1ccc(O)c(Nc2nccc(N3CCC[C@H](O)C3)n2)c1 2356163246 UJSDUJJVJWVZFD-LBPRGKRZSA-N 378.454 1.681 0 50 GDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCN(c2nc3ccccc3o2)CC1 2356165902 KIFOGQYMGXMQLS-AWEZNQCLSA-N 392.481 1.484 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1F 4938139 OLNGNFZHMLAOEV-UHFFFAOYSA-N 377.397 1.577 0 50 GDAA CN(C)C(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2cnc3ncnn3c2)s1 23153371 BHTBUFPVJFSLHW-ZDUSSCGKSA-N 384.465 1.794 0 50 GDAA CCc1cc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n[nH]1 67677992 URBMVOFSBWGAPO-QGZVFWFLSA-N 389.544 1.507 0 50 GDAA Cc1ccc(C(=O)N(C)CCn2cc(C(=O)N3CCSCC3)nn2)cc1F 67803529 KPBQRMPTCHQVCY-UHFFFAOYSA-N 391.472 1.687 0 50 GDAA Nc1nnnn1CC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12580689 XEQBUCOWQXQZMR-SFHVURJKSA-N 391.426 1.048 0 50 GDAA CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(C[C@@H]2N=C(O)N=C2O)nn1 328614106 VIDCMXVNIWNGDH-QWHCGFSZSA-N 388.453 1.671 0 50 GDAA COc1cc(C)sc1C(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77341621 OJYAEQUSAFATRA-TZMCWYRMSA-N 375.450 1.466 0 50 GDAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)cc1 77355461 WTDIWYURZJLJLD-KRWDZBQOSA-N 381.480 1.523 0 50 GDAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)C1 326831224 IGAYQPDLRQLWMV-LBPRGKRZSA-N 378.397 1.462 0 50 GDAA CS(=O)(=O)c1cnc(N2CCC(N3CCCC3)CC2)nc1[C@@H]1CCCNC1 72429824 RGLANQOSMFQHTQ-OAHLLOKOSA-N 393.557 1.412 0 50 GDAA C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)nn1 155529234 DZZIYJZYRHVRNM-QWRGUYRKSA-N 379.262 1.589 0 50 GDAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 71763645 RBYDXVLBQHWRIX-SFHVURJKSA-N 390.443 1.597 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)c1 77470626 BVPZYNDDIXWTJN-OZIGNCPNSA-N 392.459 1.659 0 50 GDAA O=C(O)c1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 262149208 JHNCCBYMDKYTAS-JKSUJKDBSA-N 381.450 1.122 0 50 GDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@H]3[C@@H](C)N)n2)cc1 237234799 AAUDEYGARHWKLW-KDOFPFPSSA-N 387.484 1.943 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3nnc[nH]3)CC2)cc1C 172617910 YNIQKUFAXBRIPE-UHFFFAOYSA-N 391.497 1.481 0 50 GDAA CCn1nc(C)cc1S(=O)(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1 219878760 GIIIKWCZNVKMPE-QGZVFWFLSA-N 379.486 1.446 0 50 GDAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc(C)c1F 173105917 HGOQHXYYSJEIHN-MRXNPFEDSA-N 384.473 1.845 0 50 GDAA C=CC(=O)Nc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 264047609 BKLBWXYXSKEGPR-OAHLLOKOSA-N 391.518 1.902 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1cnc2c(c1)CCC2 426580931 GAZYGBCKIRWIRM-FQEVSTJZSA-N 378.476 1.577 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(Cn3cccn3)o1)CC2 91416797 OXYGVMNDOGSLTO-UHFFFAOYSA-N 380.452 1.867 0 50 GDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(Cc2ccccc2)CC1 177783395 MGMQCKIKRNXDIA-NRFANRHFSA-N 392.503 1.243 0 50 GDAA Cc1nn(CC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)c(=O)c2ccccc12 91416914 MFLLFPLOCSEIBX-IBGZPJMESA-N 390.443 1.275 0 50 GDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCOCC1 239159706 MQOXBHJVHHVPJA-LTFXXXRZSA-N 382.460 1.488 0 50 GDAA CCN1CCc2nc[nH]c2C12CCN(C(=O)c1cnc3ccnn3c1C)CC2 91737717 NFUXOHSZZAGFBP-UHFFFAOYSA-N 379.468 1.770 0 50 GDAA CN(C[C@@H]1CCCN1C)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96149510 OHRBIGWLVVRVAZ-AWEZNQCLSA-N 377.489 1.206 0 50 GDAA COC(=O)[C@H](CCSC)NC(=O)C[C@H]1NC(=O)c2ccccc2N=C1O 252548772 QKNQURLZUKLWEG-QWHCGFSZSA-N 379.438 1.188 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(Br)ccc1=O 299749755 LKBZJENGOZMBLE-LBPRGKRZSA-N 387.230 1.093 0 50 GDAA Cc1nn(CC(=O)N2CCC[C@@]3(CCCN(C)C3=O)[C@H]2C)c(=O)c2ccccc12 1940196869 AKHSFQREQMARRG-ZHRRBRCNSA-N 396.491 1.954 0 50 GDAA Cc1ccc(NC(=O)CCNS(=O)(=O)N2CCC[C@H](C(=O)O)C2)c(C)c1 670454804 MNOLTRBOMJXEDP-AWEZNQCLSA-N 383.470 1.263 0 50 GDAA O=C(N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O)c1cc(C(F)(F)F)n[nH]1 1565526331 ANTSSHPPOBIESF-AAEUAGOBSA-N 382.342 1.434 0 50 GDAA CCc1nsc(NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)n1 275207411 AMLYPHULGQZKSN-BLLLJJGKSA-N 378.502 1.791 0 50 GDAA O=C(Nc1cccc(-n2ccnn2)c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 278675338 GCYUXLBDZHYDFR-INIZCTEOSA-N 390.469 1.299 0 50 GDAA C[C@H]1CCCCN1C(=O)CN1CCN(c2ncccc2S(C)(=O)=O)CC1 170601983 ZHARBSAXSZSJBV-HNNXBMFYSA-N 380.514 1.008 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3N2)CC1 1506399622 PCVXITXECNRQGD-INIZCTEOSA-N 385.855 1.519 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)C1 1506398060 UJWNPMBPFFMFCN-MRXNPFEDSA-N 399.488 1.375 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C2Cc4ccccc4C2)C3)nn1C 1772707763 ZPZSWUJNHMQLJZ-JXFKEZNVSA-N 380.492 1.669 0 50 GDAA Cc1ccccc1-n1cc(CNC(=O)Cn2nnnc2CN(C)C(C)C)cn1 12073419 ZOPCDQXGWGDSDX-UHFFFAOYSA-N 382.472 1.324 0 50 GDAA COC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12322314 YGIPLJIOQCFBOB-UHFFFAOYSA-N 398.463 1.647 0 50 GDAA biogenic O=C(NC[C@H]1CCCN(C(=O)CCn2cnnn2)C1)c1cccc2ccccc12 12748835 ZDACHWLFMALLCI-MRXNPFEDSA-N 392.463 1.885 0 50 GDAA O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14747562 VPXNZFADMZTNFU-KSZLIROESA-N 378.432 1.519 0 50 GDAA Cc1nc(CN2CCOC3(CCN(Cc4cncn4C)CC3)CC2=O)cs1 1857685549 XGSWGJNLXMBUNC-UHFFFAOYSA-N 389.525 1.969 0 50 GDAA COc1cc(F)ccc1CN1CCO[C@@]2(CCN(C(=O)c3ccnn3C)C2)C1 1857691499 NRIIBMTYLGMGFV-FQEVSTJZSA-N 388.443 1.685 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cnc(C(N)=O)cn1)CC2 1857710522 BMFZCHJOGUHDPL-UHFFFAOYSA-N 376.420 1.217 0 50 GDAA O=C1C[C@H](CN2CCC3(CC2)CN(CC2CCCCC2)C(=O)CCO3)CN1 1857718121 PBNHCMYECMFJBF-SFHVURJKSA-N 377.529 1.786 0 50 GDAA CC(C)CS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccco3)[C@H]3CC[C@]2(C1)O3 1857723224 YVTKIRQYNIBBDB-LUXYFRNMSA-N 382.482 1.475 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccc(=N)[nH]c2)cn1 1857736209 FBZPKFFBQLJOKH-HKUYNNGSSA-N 384.484 1.296 0 50 GDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1c[nH]c(=O)c(Br)c1 238038484 KACANWGTDFIIPG-CYBMUJFWSA-N 377.194 1.789 0 50 GDAA COC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C 26666727 HSVIINWFPKEOEQ-NSHDSACASA-N 375.400 1.632 0 50 GDAA in-vitro O=C(c1ccc(CSc2ncccn2)o1)N1CC[C@@]2(CO)CCCN[C@@H]2C1 1704313309 KMFXLJHTNMDERP-VQIMIIECSA-N 388.493 1.939 0 50 GDAA CNC(=O)[C@H](C)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 1875275901 LJXIFBHEDOMRGQ-QMMMGPOBSA-N 389.765 1.870 0 50 GDAA O=C(c1cncc(O)c1)N1CCN(C(=O)c2cccc3cnsc23)C[C@H](O)C1 1875331374 XKABMPVTQFHGPH-OAHLLOKOSA-N 398.444 1.356 0 50 GDAA N[C@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)[C@@H]1CCCO1 888093080 KLHLYMTYVKKTJN-FPOVZHCZSA-N 395.507 1.849 0 50 GDAA COc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12 1057121 NBSJZYLRYJXXDS-UHFFFAOYSA-N 382.372 1.993 0 50 GDAA Cn1nnc([C@H]2CN(C(=O)c3ccc(N4CCCC4)c(Cl)c3)CCO2)n1 2100483568 FKSOLOGOVLAFPW-OAHLLOKOSA-N 376.848 1.677 0 50 GDAA CCCC(=O)N=[S@](C)(=O)c1cnn2c1CN(C(=O)[C@@]13C[C@@H](OC)[C@@H]1C3)CC2 2325784983 XPCVPWGUNMCIIW-HQGPZMICSA-N 394.497 1.434 0 50 GDAA CCOCC(=O)N1CC2(C[C@@H](NC(=O)Cc3cc(C)cc(C)c3)c3nccn32)C1 2332238006 UOBHYERLMBTPML-GOSISDBHSA-N 396.491 1.878 0 50 GDAA Cc1nc(-c2cccc(C(=O)Nc3c(C)c(C(N)=O)c(=O)n(C)c3C)c2)no1 2356134038 USHZORBTVKRTHF-UHFFFAOYSA-N 381.392 1.712 0 50 GDAA Cc1ncc2c(c1-c1noc([C@@H]3CNC(=O)C3)n1)CCN(C(=O)C1CCC1)C2 20201880 QUJQTXXIFXLBOL-ZDUSSCGKSA-N 381.436 1.728 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 20654266 HNMNZNMYJCJJGT-UHFFFAOYSA-N 395.525 1.260 0 50 GDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O 247043439 YATZNGBQPYMYGG-HOJAQTOUSA-N 385.508 1.919 0 50 GDAA CN1CCN([C@@H]2CCN(C3CCN(c4ccccc4F)CC3)C[C@H]2O)CC1 20293973 KUCOGGSFPVAKSM-NHCUHLMSSA-N 376.520 1.477 0 50 GDAA O=C1NCCN1c1cccc(-c2noc([C@@H]3CC34CCS(=O)(=O)CC4)n2)c1 350310486 UNWRYIYLLHTGHL-AWEZNQCLSA-N 388.449 1.949 0 50 GDAA Cc1noc(COCC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1 435168776 NXLKKJFEPLWEHI-AWEZNQCLSA-N 391.497 1.864 0 50 GDAA O=C1COc2cc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)c(Cl)cc2N1 328627311 MPUVLSUIEZDRGQ-JTQLQIEISA-N 396.856 1.408 0 50 GDAA O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1cnn2cc(CCO)cnc12 72128443 IAPNITPWVFTALR-INIZCTEOSA-N 385.468 1.175 0 50 GDAA CN(Cc1cccc(O)c1)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72407876 JIFSECXDMCUGHB-CQSZACIVSA-N 376.482 1.689 0 50 GDAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 253428162 IMDSITPCEZKQOG-FGTMMUONSA-N 388.512 1.819 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccccc3F)CC2)C1 71757129 JOSFMTXWFWMPNB-MRXNPFEDSA-N 391.487 1.905 0 50 GDAA CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@H]1CCCO1 172173229 JPSPLISWRKGDBT-HXUWFJFHSA-N 387.524 1.767 0 50 GDAA Cn1nccc1[C@@H]1[C@@H](C(=O)Nn2cnc3ccccc32)CCC(=O)N1C1CC1 366354322 LKRVWSJEMCHBPI-LIRRHRJNSA-N 378.436 1.982 0 50 GDAA COc1cc(CC(=O)N2CCC[C@H](N3CCC(CO)CC3)C2)cc(OC)c1 72120856 BFLXLFUNASFSJB-SFHVURJKSA-N 376.497 1.942 0 50 GDAA C[C@@H](CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C1CCNCC1 237345707 LDOBNOQBNJPBHO-HNNXBMFYSA-N 375.517 1.414 0 50 GDAA Cc1cc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)on1 82145654 LVDNADPJJGMJRP-KRWDZBQOSA-N 376.501 1.518 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(F)F)CC2)cc1 263548881 VLRXEUAFEQAWOA-UHFFFAOYSA-N 376.381 1.167 0 50 GDAA Cn1cnc2cc(C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)cnc21 160329705 QTFOVVHDWFBWDV-UHFFFAOYSA-N 382.428 1.215 0 50 GDAA O=C(N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1cccnc1 334157931 UISRBAVFDVJEKJ-INIZCTEOSA-N 382.445 1.979 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cc(Br)ccc1=O 299741211 DTLLXUNUHPVODZ-UHTWSYAYSA-N 383.242 1.855 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)n1-c1ccc2c(c1)OCCO2 299748661 HVFIVTRVOGBFIG-GOSISDBHSA-N 386.404 1.791 0 50 GDAA C[C@H]1C[C@]2(CO)O[C@@H]2C[C@@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357343 NOAXTBKBXYRAED-KGGFRTGGSA-N 383.510 1.529 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)NCCCN3CCC[C@@H](CO)C3)cc21 534651058 KDDHKNHECOGIRX-CQSZACIVSA-N 376.457 1.258 0 50 GDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)COc2cccc(F)c2)[C@H](O)C1 299793023 HXRSMZBHUVLTFK-QZTJIDSGSA-N 377.416 1.561 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)Nc2cccc(F)c2)cc1 828027589 ZGFJBZFEPFUALM-UHFFFAOYSA-N 379.413 1.508 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)NCCc3noc(C4CCC4)n3)CC2)n1 584884093 BDCCJIPKXJIWEB-UHFFFAOYSA-N 385.472 1.818 0 50 GDAA O=C(CCN1CCCCCC1=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 952970431 MDXGKGXQKJBNMB-UHFFFAOYSA-N 386.408 1.874 0 50 GDAA O=C(c1ccc(N[C@H](CCO)C2CCCCC2)nc1)N1CCS(=O)(=O)CC1 276218623 KYJBCLZEGVSKJS-QGZVFWFLSA-N 395.525 1.695 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 276623215 WRVPHKZHZPFNJP-INIZCTEOSA-N 395.442 1.730 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(OCc3cccnc3)CC2)C1 1506400619 FKADZPIJAWNGJX-KRWDZBQOSA-N 383.514 1.666 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc(OC(F)(F)F)c1 1704301402 XWUXAODNJOTDAU-WCQYABFASA-N 396.387 1.221 0 50 GDAA Cc1ccc(NC(=O)N2C[C@H]3CN(C(=O)c4cnccn4)C[C@@]3(CO)C2)cc1 1772806650 DEJDKKXCEGPOMY-QRWLVFNGSA-N 381.436 1.383 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)c(C)c1C 11812839 JIRWTCVJQQBLHB-KRWDZBQOSA-N 393.553 1.872 0 50 GDAA CC(C)CCn1c(CN2CCC[C@@H](C(N)=O)C2)cnc1S(=O)(=O)C(C)C 12302554 NEPXFGAGJNGNAV-OAHLLOKOSA-N 384.546 1.809 0 50 GDAA CCS(=O)(=O)c1ncc(CN(Cc2nccn2C)C(C)C)n1CCOC 12316962 QSESGCJXBFVGMF-UHFFFAOYSA-N 383.518 1.467 0 50 GDAA O=C(N1CCOCC1)N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 19908948 DHAPTENVIJFXCT-HXUWFJFHSA-N 399.491 1.649 0 50 GDAA CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1 151562270 QDMBDTAOKUVNFJ-PIGZYNQJSA-N 378.425 1.915 0 50 GDAA Nc1ncccc1CN1CC[C@]2(C1)CN(c1nnnn1-c1ccccc1)CCO2 1857694103 APPBIIQBBOVECH-FQEVSTJZSA-N 392.467 1.121 0 50 GDAA COC(=O)[C@@H](CO)NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857695649 SEVXGESXPNBAQF-CYBMUJFWSA-N 381.816 1.348 0 50 GDAA CS[C@H](C)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857737884 HVFYOAHEUKLKQV-CYBMUJFWSA-N 392.525 1.577 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4ncccn4)C[C@]34CC[C@H]2O4)cc1 1857738682 TVOMWGAZISZZEM-XKGFGPFHSA-N 380.448 1.899 0 50 GDAA COc1cccc([C@@H]2C[C@H]2c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)c1 328631966 LAWHHWUTPSHBMX-ZNMIVQPWSA-N 379.438 1.682 0 50 GDAA CCc1onc(C)c1C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328649827 VEWONKBNZISJJF-AWEZNQCLSA-N 388.472 1.454 0 50 GDAA O=S1(=O)c2cccc3cccc(c23)N1Cc1nnnn1CC1CCOCC1 373049098 LMRGKOHSXXODGF-UHFFFAOYSA-N 385.449 1.962 0 50 GDAA CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(Br)cc1 262898456 PMAJBXOUANAXCV-UONOGXRCSA-N 399.241 1.328 0 50 GDAA COc1ccc(-n2cccn2)c(CN2C[C@@H]3COC[C@H](C2)N(CC(=O)O)C3)c1 1704314193 RVPGUZADPAFCFL-RDJZCZTQSA-N 386.452 1.098 0 50 GDAA CC1(C)CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC[S@]1=O 867359346 RLRLYKFKKGKOQP-PKTZIBPZSA-N 396.531 1.760 0 50 GDAA C=CC(=O)N1CCn2ncc(CNC(=O)c3ccc(-n4cccn4)cc3)c2C1 1875389189 FXAAQVFRJJJKCC-UHFFFAOYSA-N 376.420 1.527 0 50 GDAA C=CC(=O)NCCC(=O)N1CC[C@@]2(C1)C(=O)Nc1cc(Br)ccc12 1875380854 CBCQKRCZTQITEJ-KRWDZBQOSA-N 392.253 1.564 0 50 GDAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(=O)n(CCCC)n1 1875383065 FIKUKHXSAYYGQP-YLJYHZDGSA-N 380.448 1.741 0 50 GDAA CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2c(C)nsc2C)CC1 888103626 QLEJYIHRVZOSDZ-MSOLQXFVSA-N 391.541 1.739 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cnc(-c3ccccc3)n2C)CC[C@H]1O 2100540319 IGRUFHIIVFBGHR-NQIIRXRSSA-N 387.480 1.699 0 50 GDAA O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1C[C@]23CC[C@@]2(COC3)C1 2325766606 FKPUVIQZTCQNBJ-OALUTQOASA-N 388.445 1.246 0 50 GDAA CN(C)c1ccc(C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)O)nn1 2325775241 MOVJXJQYXPFMAW-CYBMUJFWSA-N 393.241 1.731 0 50 GDAA O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 2325803247 ZWTZMWPCOHOXLB-FCCPNZONSA-N 380.238 1.677 0 50 GDAA O=C(N[C@@H]1CC[C@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2 2325821931 NHSUTEBXPKLUGA-JGVFFNPUSA-N 382.218 1.334 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cn2ccsc2n1 2356143895 BSYABUCLTNMPOZ-GZBFAFLISA-N 376.482 1.668 0 50 GDAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 2871287 GAPUNOCCFWSZAZ-LLVKDONJSA-N 380.397 1.902 0 50 GDAA Cc1ccc(N(CC(=O)NCCc2[nH]nc3c2CCCC3)S(C)(=O)=O)cc1 55036989 BQMHMZGMEKIPGF-UHFFFAOYSA-N 390.509 1.722 0 50 GDAA Cc1cccnc1CN(C)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 55168683 UQBOIAZUAWZJCJ-INIZCTEOSA-N 378.498 1.801 0 50 GDAA CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 115588191 WJTDVPOEFDGIOZ-OAHLLOKOSA-N 376.482 1.414 0 50 GDAA Cc1cnccc1C(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccncc2)C1 67878310 KFYWYEPURDTACU-UHFFFAOYSA-N 377.404 1.927 0 50 GDAA C[C@@H](Cc1ccsc1)NC(=O)CCCn1nnnc1CN1CCOCC1 20601106 DEOZAGNOESDADL-AWEZNQCLSA-N 378.502 1.094 0 50 GDAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(O)(CN3CCCC3)CC1)C2 67852418 IBYRNTOBEUBSOD-MRXNPFEDSA-N 390.528 1.771 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3Cc4[nH]cnc4C[C@H]3C(=O)O)cc2)n1 218639711 UVBWSHHHEAAEDY-SFHVURJKSA-N 379.420 1.923 0 50 GDAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)ccc3=O)CC2)OC1=O 77428315 YAUGOFBXLRQJCN-OAHLLOKOSA-N 376.457 1.554 0 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378.494 1.867 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 262763196 LQUSXGHJLMDNAE-ZDUSSCGKSA-N 390.417 1.783 0 50 GDAA C[C@@H](CNC(=O)c1cn(CCO)c(=O)nc1O)c1ccc(C(F)(F)F)cc1 443404859 UWWQTZAXBMGAKT-JTQLQIEISA-N 385.342 1.494 0 50 GDAA O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)c1nc(C2CC2)n2ccccc12 333175389 QWMRIBUTZPBQEN-CQSZACIVSA-N 378.436 1.694 0 50 GDAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(Nc3ccccc3F)CC2)C1 129020043 MAJPNBIIKVBUDX-QGZVFWFLSA-N 376.476 1.829 0 50 GDAA O=c1nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)[nH][nH]1 285516418 GHQUMFJZFCRJCH-SECBINFHSA-N 376.360 1.776 0 50 GDAA Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1S(C)(=O)=O 455020295 HJDUKKWVUGFFEC-ZIAGYGMSSA-N 388.511 1.876 0 50 GDAA CCCS(=O)(=O)N1CCC(NC(=O)N2CCCO[C@@H](C(C)C)C2)CC1 457636164 JYINDGSGTCFDTA-MRXNPFEDSA-N 375.535 1.647 0 50 GDAA CN(C)C(=O)[C@@H]1CCC[C@H](N[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 289707133 KQMZYNKSGYMBCZ-VKJFTORMSA-N 379.526 1.948 0 50 GDAA CCCC[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)Cn1cnnn1 82136877 HQHJLPXDAJLHDO-OAHLLOKOSA-N 376.848 1.761 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccnn2)CC1 195041795 UQIIEWLWQSXCSF-LJQANCHMSA-N 392.463 1.354 0 50 GDAA COc1cccc(N2CCN(C(=O)NC3(C(=O)O)CCOCC3)[C@@H](C)C2=O)c1 426490270 VNUPCYPJPAHSSP-ZDUSSCGKSA-N 391.424 1.076 0 50 GDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 426491591 WFVIDGYYVGXXAS-CYBMUJFWSA-N 380.408 1.773 0 50 GDAA CN(C)C(=O)N1CC[C@]2(O)CCN(c3ncc(C(=O)O)cc3Cl)C[C@@H]2C1 95384371 CUZUZVUNYFSQTR-SJKOYZFVSA-N 382.848 1.378 0 50 GDAA CN(CC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1)C(N)=O 95519491 GCXIQUVVWNDMSL-CYBMUJFWSA-N 396.438 1.610 0 50 GDAA CN1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1(C)C 96161838 ILSBBZHWBPVXDC-UHFFFAOYSA-N 377.489 1.206 0 50 GDAA CS(=O)(=O)CCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91644464 VBSMHJLGGBNIJO-UHFFFAOYSA-N 379.482 1.012 0 50 GDAA CCn1nccc1S(=O)(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95358744 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MZVADDVQIHMAGM-IEBWSBKVSA-N 390.447 1.560 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857737468 NNIMPAGCVKUFET-UGGKCQTMSA-N 390.443 1.476 0 50 GDAA Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 416471982 MCPKSRODIVIZSY-NSHDSACASA-N 383.861 1.365 0 50 GDAA Cc1ccn2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)c2n1 124528324 XOGUGAZRJAARCN-UHFFFAOYSA-N 396.426 1.573 0 50 GDAA COc1ccc(C(=O)NCC(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc1OC 363549806 RMYDGCFVJRZGDL-GDBMZVCRSA-N 375.469 1.519 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CS(C)(=O)=O 264864424 GMBYSZMOFVLBHG-DZGCQCFKSA-N 382.482 1.239 0 50 GDAA Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC(=O)C[C@@H]1C=CCC1 857068621 AUDKLCVHGQVUMA-SNVBAGLBSA-N 399.270 1.961 0 50 GDAA O=C1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]2CCCN12 1875271808 CJYVWGVIEHTIOK-ZDUSSCGKSA-N 399.419 1.200 0 50 GDAA NC[C@@H]1CCCc2ccc(C(=O)N3CCC[C@H](NC(=O)[C@H]4CCCNC4)C3)cc21 1875267316 RFTKGPUBCCIMIG-UFYCRDLUSA-N 398.551 1.786 0 50 GDAA O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCC[C@@H]1COCCN1 1875315038 FTKUDMHHGMIBGI-QUCCMNQESA-N 397.475 1.748 0 50 GDAA CN(CCO)C[C@@H]1CCC[C@@H](NC(=O)CN2CCOc3ccccc3C2)C1 2100556900 UZLVBOARYOBSHH-IEBWSBKVSA-N 375.513 1.480 0 50 GDAA CCc1cnc(CN2C[C@H](CC(=O)N[C@@H](C)C3(CO)CC3)OCC23CCC3)[nH]1 2325785411 XCJRAHDOPKXQEF-RDJZCZTQSA-N 390.528 1.763 0 50 GDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nn1 2325819722 OCDATUCNOKTARD-UKRRQHHQSA-N 388.449 1.200 0 50 GDAA COc1cccn2ncc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3OCC[C@@H]3C)c12 2325829406 JEUBTKTYHGLLHX-WZTLGTBRSA-N 384.436 1.193 0 50 GDAA Cc1cnoc1C(=O)N[C@H]1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C1 2325838960 DUXSYHPERGCYGU-NWDGAFQWSA-N 377.470 1.895 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2ccc3ncnc(O)c3c2)c1 2325862695 DNGAHCGEIRKELW-UHFFFAOYSA-N 394.391 1.585 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 2325889435 QINNVVGJIGEWBY-MRXNPFEDSA-N 391.493 1.219 0 50 GDAA COc1ccc2[nH]c3c(c2c1)CCN(c1cc(N2CCN(C)C(=O)C2)ncn1)C3 882898682 RMCMJZSLTXAIOK-UHFFFAOYSA-N 392.463 1.808 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1466589 ZMVYXRXOKDPKLD-UHFFFAOYSA-N 387.417 1.349 0 50 GDAA COn1c(=O)c(-c2ccc(I)cc2)[n+]([O-])c2ccccc21 4839195 XEHDTUGOWAZCBL-UHFFFAOYSA-N 394.168 1.965 0 50 GDAA CN(CCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 67629512 PZYSOFFVXMJWCB-UHFFFAOYSA-N 382.530 1.148 0 50 GDAA CN(Cc1cnc(N)nc1)c1ccc(C(=O)NCCCc2ccccn2)cn1 67754744 NRMRYHUVOKOZML-UHFFFAOYSA-N 377.452 1.848 0 50 GDAA O=C(NC1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1)C1CC1 141302310 DQFPQFXNXIQHNU-LJQANCHMSA-N 383.492 1.737 0 50 GDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@H]3C1=O 77566339 YFNQZTYJRVPILM-FJXLLPKBSA-N 375.494 1.930 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 219886676 NRBOHFOVYZCBDV-UXHICEINSA-N 393.447 1.695 0 50 GDAA CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 5674795 VTSLLNLJZOUUHY-UHFFFAOYSA-N 389.481 1.686 0 50 GDAA COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O 217969509 XHYQKCBCQHWLJB-LBPRGKRZSA-N 391.376 1.579 0 50 GDAA biogenic Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(-c3ccccn3)nc21 72133838 KFQIZCWTUCMZPB-UHFFFAOYSA-N 395.448 1.685 0 50 GDAA Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1cnc2n1CCC2 328696316 DFVDGUAFXCIEBQ-HNNXBMFYSA-N 390.465 1.548 0 50 GDAA CC(C)n1cc(C[C@@H]2N=C(O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)nn1 328610116 GMPSKVLYGFGLJK-BBRMVZONSA-N 396.451 1.504 0 50 GDAA O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCN(CC(F)(F)F)C2)ccc1F 238004946 GXOKVFUVDJHBOZ-SECBINFHSA-N 384.351 1.686 0 50 GDAA Cc1c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cccc1N1CCOC1=O 370737622 HFCACWBUUMZOMV-ACJLOTCBSA-N 397.435 1.843 0 50 GDAA O=C(N[C@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 332811424 YIBLBEORESJDNN-NCOADZHNSA-N 396.553 1.935 0 50 GDAA CCC[C@@H](C)N1CC2(CCN(C(=O)CN3CCCN(C)CC3)CC2)OC1=O 77556102 MLKRZZGRERSPAW-QGZVFWFLSA-N 380.533 1.626 0 50 GDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@H](C)[C@@H]3CN)n2)cc1 237235036 SBRXDXBLPDQZFT-KSSFIOAISA-N 387.484 1.800 0 50 GDAA CN1C(=O)[C@@](CCC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21 71764864 ZPUCFYCKSUYLIJ-QFIPXVFZSA-N 382.460 1.393 0 50 GDAA Cc1ccc(S(=O)(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)cc1 82230587 FDAFVMGZTMSFRZ-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA O=C(Cc1c[nH]c2ccccc12)NCCNc1cc(N2CCOCC2)ncn1 82230409 PNJLXZPVMPODDT-UHFFFAOYSA-N 380.452 1.565 0 50 GDAA O=C(Cn1cc(Br)ccc1=O)N1CCC[C@](O)(C(F)(F)F)CC1 287720804 FGVADNMGWDGVRE-CYBMUJFWSA-N 397.191 1.917 0 50 GDAA Cc1ccc2nc(CNC(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4C)[nH]c2c1 426395169 LHJXQQHUBLDHKC-UHFFFAOYSA-N 384.440 1.439 0 50 GDAA Cc1ccc2c(c1)c(CNC(=O)c1cc(S(N)(=O)=O)ccc1F)nn2C 91849025 YHHJANOIQSSWOA-UHFFFAOYSA-N 376.413 1.598 0 50 GDAA Cc1nn(CCC(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)c(C)c1C 95391714 RQFBHXZIBLEFBO-FQEVSTJZSA-N 375.517 1.354 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)CCCc3cn[nH]c3)C2)CCC1=O 91643450 ALOMXVDELZQBNO-HXUWFJFHSA-N 375.517 1.525 0 50 GDAA C[C@@H]1CN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CCN1CC(F)(F)F 179580885 HWRXWSPKSZMIOP-PNESKVBLSA-N 385.452 1.620 0 50 GDAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 95504616 QWHFMOMBPQUSAK-OAHLLOKOSA-N 386.481 1.689 0 50 GDAA CCN(Cc1noc(C)n1)S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95365631 FBVOKCDOTFCIBQ-UHFFFAOYSA-N 378.454 1.871 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)CCO1 299747869 FLAXRZSCEKSZCM-AWEZNQCLSA-N 398.253 1.809 0 50 GDAA CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2ccc(F)cc2o1 285764747 SWJMRBIYFMEBPI-ZWNOBZJWSA-N 382.413 1.380 0 50 GDAA O=C1OCC2(CCN(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)O1 828322810 AZJHKEHHZRURBN-CYBMUJFWSA-N 377.372 1.642 0 50 GDAA Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)nc2c1CCCC2 827763614 PCPGJXBKLCCMCD-QGZVFWFLSA-N 393.491 1.766 0 50 GDAA CCS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1 823413027 NIQIVTIBFLZCHO-GOSISDBHSA-N 397.516 1.847 0 50 GDAA C[C@H]1CN(c2nnnn2C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC2(CCOCC2)O1 1355991538 UHMNKIBZKPNMQM-PASDCYSWSA-N 393.488 1.174 0 50 GDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(C)c1F 408444064 QRIANOVOUUBVDN-UONOGXRCSA-N 378.491 1.581 0 50 GDAA CCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1cccc(Cl)c1 268937788 CWKLXXYLKVGVLM-CYBMUJFWSA-N 378.816 1.799 0 50 GDAA COc1cccc2c1NC(=O)C[C@H]2C(=O)Nc1csc2nc(=O)c(C)nn12 1506422883 RRWNNMRJQHKKJO-SNVBAGLBSA-N 385.405 1.533 0 50 GDAA CC[C@]1(C(=O)OC)N[C@@H](c2nc3c(s2)CCCC3)[C@H]2C(=O)N(C)C(=O)[C@H]21 209925113 LGBGCGYTOOUNCS-JWXAPSBJSA-N 377.466 1.219 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(Cc4nc(C5CC5)no4)C[C@]3(CO)C2)c(C)o1 1772709172 IKVFSEJWPIKITG-FOIQADDNSA-N 386.452 1.723 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@@]2(CCc2ccccc2)C1 1772807799 AUYUCMSDUIBQCZ-UYAOXDASSA-N 388.537 1.746 0 50 GDAA Cc1nnc2n1C[C@@H](CNS(=O)(=O)c1ccc3c4c(cccc14)C(=O)N3)C2 1772704800 LKWNDJCIYORWQY-LLVKDONJSA-N 383.433 1.456 0 50 GDAA O=C(NCCCn1cccn1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772819760 SGMPQAIKBFUQBA-AWEZNQCLSA-N 375.498 1.488 0 50 GDAA CNC(=O)Cc1nc(-c2cc(-c3cccs3)nn2C)n(-c2cnn(C)c2)n1 1772807001 NXRPWHVEHAYAAM-UHFFFAOYSA-N 382.453 1.418 0 50 GDAA C1CCN(C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)C1 12709160 CJNRAOVQSLXBLI-UHFFFAOYSA-N 375.502 1.631 0 50 GDAA Cn1cc(CN2CCN3C(=O)[C@@H]4CCCN4C(=O)[C@H]3C2)c(-c2ccccc2)n1 14749193 JHGSFAFREJDNFU-ZWKOTPCHSA-N 379.464 1.105 0 50 GDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 169497521 VIJOFSNJFFTTLZ-DYVFJYSZSA-N 380.400 1.572 0 50 GDAA CC1CCN(S(=O)(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)CC1 1857677207 RSICCJAPTXBEJY-LJQANCHMSA-N 393.509 1.712 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@H]1NC(=O)c1cccnc1 1857687517 VHTJNECXQQXMIX-KFKAGJAMSA-N 389.496 1.759 0 50 GDAA CCc1cc(N2CCC[C@@H](n3ncc(N(C)CCOC)cc3=O)C2)nc(C)n1 328603514 GHNCFEAQJZEETL-QGZVFWFLSA-N 386.500 1.828 0 50 GDAA Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 333193870 SUQHLBKWSFGPSV-SNVBAGLBSA-N 383.392 1.935 0 50 GDAA COc1ccccc1/C=C/CNCCn1cc(C(=O)N2CCSCC2)nn1 12244381 PIUJKDRXVCIVEB-GQCTYLIASA-N 387.509 1.779 0 50 GDAA Cc1nc(C(=O)NCCn2cc(C(=O)NCc3ccc(F)cc3)nn2)cs1 14993747 BCNINHJXBVDRPJ-UHFFFAOYSA-N 388.428 1.542 0 50 GDAA Cn1ncnc1[C@H]1COCCN1Cc1csc(CNC(=O)c2ccccc2)n1 375373726 PEYKCKDKUMKVFF-MRXNPFEDSA-N 398.492 1.775 0 50 GDAA COc1ccc(Cn2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)cn2)cc1 378060014 ZHAHADNUYQPEQK-QWFCFKBJSA-N 398.463 1.496 0 50 GDAA CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C 830850985 CSCMWFOHUCGNGT-LIRRHRJNSA-N 385.505 1.512 0 50 GDAA Cc1noc(CCNC(=O)N2CC(O)(c3cccc(Br)c3)C2)n1 856855010 UTDGGOZZMXCKTJ-UHFFFAOYSA-N 381.230 1.596 0 50 GDAA CCCC1(C(=O)N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCOCC4)n3)C2)CC1 1875396072 UVCIHRLNAJPVGH-QGZVFWFLSA-N 399.539 1.751 0 50 GDAA Cc1ccc(OCC(=O)N2CCN(C(=O)c3cc(C(N)=O)ccc3C)CC2)cc1 1875310497 RUSXRMGAPOPLRO-UHFFFAOYSA-N 395.459 1.766 0 50 GDAA COCCOCC(=O)N1C[C@@H](NC(=O)CCc2ccncc2)[C@H](C2CC2)C1 1775997689 PQUVMSFSRHQWRN-ZWKOTPCHSA-N 375.469 1.030 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCO[C@H](c4nn[nH]n4)C3)c2)on1 2100473209 GRLKYVKECMXCAW-AWEZNQCLSA-N 390.425 1.234 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 2325737971 FCUUGQZATOCRJW-SSDMNJCBSA-N 385.461 1.809 0 50 GDAA CNC(=S)N(Cc1ccncc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 1211501 IVIBHEQKRSSJRP-INIZCTEOSA-N 384.461 1.729 0 50 GDAA CC(=O)NCCn1c(SCC(=O)NCCC(C)C)nc2ccccc2c1=O 2971780 BQISTEZUAWIMEG-UHFFFAOYSA-N 390.509 1.787 0 50 GDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccnc1N(C)C1CCCCC1 67982961 MOLPKSVGDIPRKW-YJBOKZPZSA-N 387.528 1.917 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3ccccc3Cl)nn2)CN1 67654828 KXIAPXWQPJLVDW-RISCZKNCSA-N 390.875 1.246 0 50 GDAA COCCN1CCCN(C(=O)[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)CC1 328593916 YSQGUMHYWCORIB-HXUWFJFHSA-N 399.532 1.441 0 50 GDAA O=C(CCN1CCOCC1)NCc1cccnc1N1CCc2ccccc2C1 20540950 FZBBNBKQDAKKEB-UHFFFAOYSA-N 380.492 1.983 0 50 GDAA COc1cc(C)ccc1S(=O)(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 65372503 ZGTQXHZUOYYSOH-UHFFFAOYSA-N 377.466 1.195 0 50 GDAA O=C(O)[C@H](c1ccc(F)c(CO)c1)N1CCC(C(=O)N2CCOCC2)CC1 219647089 CGIHLHAWKQAAEY-KRWDZBQOSA-N 380.416 1.015 0 50 GDAA CCC(CC)CN1CC2(CCN(C(=O)CCc3nncn3C)CC2)OC1=O 77356620 KCEGXEZCGCIZDC-UHFFFAOYSA-N 377.489 1.997 0 50 GDAA CCOC(=O)c1cn2c(n1)N(S(=O)(=O)c1ccc(OC)cc1C)CCC2 328594135 UBKXDMBHMCXLKE-UHFFFAOYSA-N 379.438 1.976 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C1 329496397 IZMCSOBGQQIXIT-MSOLQXFVSA-N 388.512 1.628 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)N2CCN(c3ccc(F)cn3)CC2)c1 362234510 FPZTXIGQFIKSRU-UHFFFAOYSA-N 387.415 1.943 0 50 GDAA CC(C)[C@@H](CNC(=O)NCc1ccnc(-n2ccnc2)c1)N1CCN(C)CC1 363207733 JLBLEJXZONJQKY-GOSISDBHSA-N 385.516 1.339 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c(=O)[nH]1 72129462 HBNPVXQMXAVEGB-GOSISDBHSA-N 380.492 1.677 0 50 GDAA Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 262174948 YUBGSYQOOIMLIL-LBPRGKRZSA-N 383.365 1.390 0 50 GDAA CC[C@H]1C(=O)NCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 132108309 GVFKIDTZKWFFKP-AWEZNQCLSA-N 377.242 1.985 0 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GNUIRTOHRJIDNR-UXHICEINSA-N 399.422 1.847 0 50 GDAA CNC(=O)CCc1ccccc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 823819653 IKAODHJRYOBWOS-HXUWFJFHSA-N 382.464 1.772 0 50 GDAA COc1cccc(CC(=O)N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)c1 1565527717 SATSPBDFRRCNTI-SJORKVTESA-N 383.514 1.117 0 50 GDAA COc1cc(NC(=O)N2C[C@H](C)O[C@H](C3CC3)C2)ccc1S(=O)(=O)N(C)C 279480456 OGWTZUAKHOTHAM-LRDDRELGSA-N 397.497 1.977 0 50 GDAA Cc1ccc2[nH]c(C(=O)NC[C@H]3CCCN(C(=O)CS(C)(=O)=O)C3)cc2c1 1506419223 YZTKBCFQWWOOGA-CQSZACIVSA-N 391.493 1.489 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)Cc1noc(CC(C)C)n1 1506418151 VBUFBNSBKAZWAN-UHFFFAOYSA-N 397.453 1.725 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3CCC[C@](CO)(CN(C)C)C3)n2)c1 1506397965 YPXNLXQUMFQSDF-FQEVSTJZSA-N 385.516 1.642 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NC1CCN(c2ccccc2)CC1 11668198 IURFSFWEDHPBBY-HXUWFJFHSA-N 384.524 1.905 0 50 GDAA CN(Cc1cccnc1)Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 11937881 MTXIXASYYKKCLW-OAQYLSRUSA-N 385.508 1.910 0 50 GDAA CC(C)CC(=O)C(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 12052823 QOVHNJKFPAQWNV-AWEZNQCLSA-N 376.457 1.637 0 50 GDAA Cn1c(CCNC(=O)c2ccc3c(c2)OCO3)nnc1SC[C@H]1CCCO1 12135959 VWLWTSRGYBYQJW-CYBMUJFWSA-N 390.465 1.787 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCOc1cccnc1 12313840 HAWLSDLXODMYBB-LJQANCHMSA-N 382.464 1.357 0 50 GDAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCC(O)CC1)CC2 14751485 KJXFNUDIWFFCPN-KRWDZBQOSA-N 382.508 1.995 0 50 GDAA CCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1 19595301 JXJJASOXDZBJTG-HXUWFJFHSA-N 396.491 1.829 0 50 GDAA O=C(NC[C@@H]1COCCO1)c1nnn(Cc2ccccc2F)c1-c1ccncc1 206644012 DYSUTGQZLCWCIN-MRXNPFEDSA-N 397.410 1.673 0 50 GDAA CCOCC(=O)N1CCC[C@@]2(CN(Cc3cc(C(C)(C)C)n[nH]3)CC[C@H]2O)C1 1857705621 OCTUIFHQAGCVHK-WIYYLYMNSA-N 392.544 1.919 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)CCc2cc(Cl)no2)[C@H]1c1cnn(C)c1 1857719682 REYVTCUKBXMPAD-YOEHRIQHSA-N 381.864 1.524 0 50 GDAA Cn1cnc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H](C(=O)O)C3)ccc2c1=O 216873477 JRXDBSXAHATXFX-SJORKVTESA-N 377.400 1.874 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)CCO2)cn1 328626101 LIYUZODNTLNIHP-MRXNPFEDSA-N 377.422 1.336 0 50 GDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1F 12029875 NCALLDHEWCMFBM-UHFFFAOYSA-N 395.460 1.364 0 50 GDAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)C1=O 12003984 HSOJRXHBRSMEQT-NSHDSACASA-N 387.417 1.350 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ccc(CO)cc3)C2)c1C 1875397326 WAHLCYQLPDDCCJ-GOSISDBHSA-N 383.496 1.656 0 50 GDAA CN(CCc1ccccc1)CC(=O)N1CC[C@H](C2CC2)[C@@H]1c1nnc(O)n1C 1875400877 BDLPYTJLIBZPQF-IEBWSBKVSA-N 383.496 1.995 0 50 GDAA Cn1cncc1[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1CNC(=O)C1(C)CC1 1775962769 DVWRBDZYRBZZMK-HUUCEWRRSA-N 384.484 1.812 0 50 GDAA O=C1CO[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)[C@@H](c2cccnc2)N1C1CC1 2100482731 URGMEFSWIJIPCA-HIHRSEIJSA-N 385.464 1.274 0 50 GDAA NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 18148713 HQIKUICLVWLNAV-HNNXBMFYSA-N 393.852 1.409 0 50 GDAA 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KDXAIPCUKWFOGE-ZDUSSCGKSA-N 388.435 1.992 0 50 GDAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 1112346 JQLWBBZVTNMDTN-UHFFFAOYSA-N 392.452 1.875 0 50 GDAA O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CC[C@@H](Oc2cccnc2)C1 328609023 BYGYSCFZIHYJLU-GFCCVEGCSA-N 388.405 1.278 0 50 GDAA CCS(=O)(=O)NC[C@H](C)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2 72431759 ZQUPWJPTJLDJIV-HNNXBMFYSA-N 375.535 1.647 0 50 GDAA O=C(Nc1ccnn1C1CCN(C(=O)CCn2cncn2)CC1)C1CCCC1 12702419 IOMROMWHIRXKJH-UHFFFAOYSA-N 385.472 1.857 0 50 GDAA CCCc1n[nH]cc1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 72424280 NGOZFDASAYMNOT-HXUWFJFHSA-N 375.517 1.769 0 50 GDAA CN1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1=O 48156038 RPWLZBWBOGJYGC-UHFFFAOYSA-N 392.463 1.150 0 50 GDAA CCOCC(=O)N1CCC(C(=O)N2CCCC[C@H]2CCn2ccnc2)CC1 222582443 QGYINYFWHUKCOL-SFHVURJKSA-N 376.501 1.929 0 50 GDAA COCCCN1CC2(CCN(C(=O)c3cnc(SC)nc3)CC2)CC1=O 95369990 KLINWTWXVQURDC-UHFFFAOYSA-N 378.498 1.690 0 50 GDAA CN1CCC[C@@H](CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96165420 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COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)CC1 14976654 YDLZGYQIPLTZPX-SFHVURJKSA-N 395.450 1.540 0 50 GDAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)s1 19744554 HYBZZBOJNSWIAV-INIZCTEOSA-N 379.526 1.634 0 50 GDAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCCC(=O)Nc2nccs2)o1 1857526290 VICYLNQDPDNTBT-UHFFFAOYSA-N 379.438 1.923 0 50 GDAA O=C(N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccc(N2CCCC2)nn1 1857531148 YWPOKICCMOHTPR-KCXAZCMYSA-N 390.875 1.496 0 50 GDAA CCc1ncc(S(=O)(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)[nH]1 1857675150 MATGZOCKFZUUJD-GOSISDBHSA-N 390.465 1.410 0 50 GDAA COc1cccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1OCCCN(C)C 1857718065 MGPSSWAMODUVGI-NQIIRXRSSA-N 389.496 1.559 0 50 GDAA CN(C)S(=O)(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857721188 DEHGQGBQOVBSRW-UHFFFAOYSA-N 388.493 1.935 0 50 GDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4nc(=N)[nH][nH]4)C3)nc2c1 1857724672 MPTSPEQNCVOSKV-NSHDSACASA-N 385.428 1.290 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)Nc3ccc(F)c(Cl)c3)C[C@H]2CO1 1857740536 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CCC[C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)c2[nH]ccc2C)C1 2332237663 GQUJVMKSQPETBL-ARFHVFGLSA-N 395.525 1.505 0 50 GDAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccnc3)=C2)cc1 6780834 ONRWOWBUBDVQJM-UHFFFAOYSA-N 386.433 1.270 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)CC[C@@H]2C)cc1 225463421 VOKYYEQNHQZORO-LFPIHBKWSA-N 386.539 1.700 0 50 GDAA CCN1CCN([C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 101468392 XSAQMNUDDGBPFB-INIZCTEOSA-N 375.469 1.011 0 50 GDAA O=C1C[C@H](N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C2CC2)C(=O)N1 171031454 GZPJCTXCFIHEBV-INIZCTEOSA-N 382.420 1.464 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2COC(=O)N2)CC1 67694935 WDFBKWVMEFHMFH-KRWDZBQOSA-N 395.463 1.441 0 50 GDAA COCCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@H](N(C)C)C2)cc1C 230192901 YURVYQLPBQKDPR-WBVHZDCISA-N 388.555 1.686 0 50 GDAA NC(=O)CCNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71575463 BLSKCHBZUAJFLU-IBGZPJMESA-N 386.540 1.397 0 50 GDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 328651479 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Cc1ccc2c(C)c(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)oc2c1 1704343538 JTYPKFYJEFFXSM-DZGCQCFKSA-N 380.466 1.686 0 50 GDAA COc1cccc(CN2CC[C@@]3(CNC(=O)CO3)C2)c1OCCn1ccnc1 1772816704 ZFONWZAPKYQWSA-HXUWFJFHSA-N 386.452 1.062 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@H](C)n3cncn3)CC2)c1 1772711100 WHEOHIPKZUVPRW-AWEZNQCLSA-N 387.440 1.231 0 50 GDAA Cc1ccccc1CCC(=O)N1CCCN(CC(=O)NC[C@H]2CCCO2)CC1 1772707540 UWHHCPWAAPRWLX-HXUWFJFHSA-N 387.524 1.757 0 50 GDAA Cc1nn2cc(CNC(=O)[C@H]3CCC(=O)N(Cc4ccccn4)C3)nc2s1 11936099 IBUALYAURISOBA-ZDUSSCGKSA-N 384.465 1.549 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 12052737 ZODWXKIVOGFETQ-INIZCTEOSA-N 378.517 1.820 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccnc3)C2)cc1 12315883 SDDGAJZHPNJYOG-HNNXBMFYSA-N 389.477 1.921 0 50 GDAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12317990 CJPTYIYDVUMTLU-INIZCTEOSA-N 381.432 1.908 0 50 GDAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccccc1N1CCC(=O)NC1=O)C2 1857676236 MAIBFLUCYRWHLT-IBGZPJMESA-N 386.408 1.190 0 50 GDAA COc1ccc(CNC(=O)[C@@]23CCCN(C)[C@H]2CN(S(C)(=O)=O)CC3)cc1 1857685648 NQMSMGUZVZDQDG-PKOBYXMFSA-N 395.525 1.057 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857686555 BQHVPAJOAQEPID-FQEVSTJZSA-N 377.404 1.619 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)c3cc(OC)c4ccccc4n3)CCO2)n1 1857721765 FBAYJNZDAPAFSI-QGZVFWFLSA-N 398.423 1.090 0 50 GDAA COCCn1nnc([C@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCO2)n1 1857727179 MPFMLJLYFWRUJN-LJQANCHMSA-N 380.452 1.955 0 50 GDAA COC(=O)c1cnc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)cn1 1857727579 VCYOETKDNBSVRS-LPHOPBHVSA-N 375.400 1.195 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)NC4CCS(=O)(=O)CC4)CC3)nc2n1 1857741113 CZGDFLZAIHCZGW-UHFFFAOYSA-N 392.481 1.441 0 50 GDAA Cc1nc([C@@H]2CCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)n[nH]1 761063763 QWZIMDXIJHYALX-GFCCVEGCSA-N 389.843 1.898 0 50 GDAA O=C(NCCSCc1ccccc1)[C@@H]1CNC[C@@H](C(=O)N2CCCC2)C1 247767279 LPTSFTFTUJHDGL-ROUUACIJSA-N 375.538 1.884 0 50 GDAA N=c1nn[nH]n1CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297274 KOJYOLHKNIXKJO-FQEVSTJZSA-N 390.451 1.049 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccc(C(=O)N2CCOCC2)c1 827810932 FIVDBUOPIXJCTD-LJQANCHMSA-N 393.443 1.650 0 50 GDAA CN(C)c1nc2sc(C(=O)OC[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cc2s1 870796110 OWHPGOMGWGGZCQ-IUCAKERBSA-N 394.478 1.070 0 50 GDAA O=C(O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnc(C4CC4)n3C1)CCS2 1875272633 AYGGQHCOTJVGEH-QWHDWNGZSA-N 390.509 1.963 0 50 GDAA COc1ccc([C@@H](CO)CNC(=O)CCc2c(C)ncnc2O)cc1OC 1875260371 BPLGMOYHQRWBJR-CQSZACIVSA-N 375.425 1.333 0 50 GDAA NC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccccc1OC(F)F)C2=O 1875266485 VACMDLUKOLGRSY-ADLMAVQZSA-N 381.379 1.910 0 50 GDAA Cc1ccn2ncc(C(=O)N[C@@H]3CN(C(=O)c4cnc(C5CC5)o4)C[C@H]3O)c2c1 1875299965 DQLNFHUCVIEJMP-GDBMZVCRSA-N 395.419 1.123 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNCc2cc3ncc(Br)cc3o2)N1C 1875398740 CYWYQBBMCUJIFV-BZNIZROVSA-N 384.274 1.762 0 50 GDAA CCNC(=O)C[S@@](=O)c1cccc(NS(=O)(=O)C[C@@H](OC)C2CC2)c1 888096763 LBVNOERWIAFNFC-OYLFLEFRSA-N 388.511 1.097 0 50 GDAA CC(C)NC(=O)[C@H]1CC[C@H](NC(=O)c2cccc(Cn3cccn3)c2)[C@@H](O)C1 2100480968 ZZNVQDSCYRKGJK-FHWLQOOXSA-N 384.480 1.715 0 50 GDAA NC(=O)CC1(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCOCC1 2325749247 BWOUWHNTOJOOPJ-UHFFFAOYSA-N 385.251 1.724 0 50 GDAA NC(=O)c1ccc2c(c1)CN(C(=O)[C@H]1CCC(=O)N1CCC(F)(F)F)CC2 2325774469 IVSIPTAQDLVARL-CQSZACIVSA-N 383.370 1.614 0 50 GDAA CC(=O)N[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C[C@H]1c1nccn1C 2325782692 WJLWMFAEAGPWRM-RTBURBONSA-N 392.463 1.409 0 50 GDAA CS(=O)(=O)C[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 2325791411 WIZGANQAFVHNLN-AVGNSLFASA-N 384.885 1.632 0 50 GDAA CC(=O)N1CCC2(C1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)C2 2325796452 RJCHRFUCNKHRQU-ZDUSSCGKSA-N 393.846 1.913 0 50 GDAA O=C1CC2(CCC2)[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)CN1 2325823718 BNIZKNLQIBGHNC-CYBMUJFWSA-N 393.465 1.177 0 50 GDAA CN1CCN([C@H](C(=O)Nc2nc3ccc(C(N)=O)cc3[nH]2)c2ccccc2)CC1 2325860379 GOFKQRHKNLQJDS-SFHVURJKSA-N 392.463 1.589 0 50 GDAA O=C(CC1CCC1)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1CC(C(F)(F)F)C1 2332238029 VWMUNGCBSNOPRH-FIYWTHMPSA-N 396.431 1.163 0 50 GDAA COc1cccc2c1C1(CCN(S(=O)(=O)c3cn(C)cn3)CC1)OCC2 2356146625 NJIHSIRFFAFFPB-UHFFFAOYSA-N 377.466 1.681 0 50 GDAA CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 3824412 KJFBVJALEQWJBS-XUXIUFHCSA-N 376.240 1.775 0 50 GDAA investigational Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCOCC3)n2C)c1 4842801 GWRMIVQIINVZCO-UHFFFAOYSA-N 389.481 1.004 0 50 GDAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2CCC[C@@H](c3n[nH]c(C)n3)C2)c1 221878539 XAWSBUPRNJPVEZ-VUSLFOADSA-N 393.495 1.906 0 50 GDAA CCN(C)S(=O)(=O)N1CCO[C@@H](c2noc(-c3ccc(OC)cc3)n2)C1 222226528 IROVYAUBMAJNDX-CQSZACIVSA-N 382.442 1.315 0 50 GDAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 55696585 PGXKQHFBMFZBTD-KRWDZBQOSA-N 375.432 1.932 0 50 GDAA COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(CCO)CC4)nc3C2)cc1 20019231 FMFQEZSYFGCCEQ-QGZVFWFLSA-N 396.491 1.821 0 50 GDAA CCOC(=O)c1nnn(-c2nonc2N)c1CN(Cc1ccccc1)C(C)C 1238595 HZNGLBKFJSSMEB-UHFFFAOYSA-N 385.428 1.820 0 50 GDAA CNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71759995 JTUWMPVMBRUDAW-OAHLLOKOSA-N 399.495 1.371 0 50 GDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 328651486 VYFQAPWTSUUECD-WBMJQRKESA-N 378.473 1.519 0 50 GDAA CCC1(CC)CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)C1 77438080 SCPZCUNHGNRQSI-LSDHHAIUSA-N 379.530 1.068 0 50 GDAA CN(C)Cc1nnc(C2CCN(C(=O)COc3cccc(F)c3)CC2)n1C 77524346 QBVDEMWJRKKOKV-UHFFFAOYSA-N 375.448 1.801 0 50 GDAA Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN(Cc2nccn2C(F)F)CC1 374989486 YIOJEMNNNSGYOP-CQSZACIVSA-N 393.442 1.917 0 50 GDAA CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 126834750 AVXSFANPHSSXDD-WMZOPIPTSA-N 386.496 1.986 0 50 GDAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CCC(N)CC3)n(C)c2)C1 237482822 ZILKLFCXFKZZFQ-WLYUNCDWSA-N 382.530 1.445 0 50 GDAA COc1cc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)ccc1F 219383254 PXTUHWVEODBOIV-QGZVFWFLSA-N 376.432 1.672 0 50 GDAA CCCc1ncncc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 216127670 WPLHKRDXQLULGJ-UHFFFAOYSA-N 377.452 1.705 0 50 GDAA COc1cccc(SCC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c1 219520534 OHQDCPOCKCVMOG-QGZVFWFLSA-N 377.466 1.442 0 50 GDAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1C(=O)O 237748285 SEBBDMRQGJCFJU-NSHDSACASA-N 380.388 1.856 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)c1 77341929 BLTXYQKQWHQUNW-SFHVURJKSA-N 376.453 1.565 0 50 GDAA CNC(=O)c1ccn([C@@H]2CCCN(c3ccc(S(C)(=O)=O)cc3F)C2)n1 289734715 SWVLDXOEOGUFGI-GFCCVEGCSA-N 380.445 1.627 0 50 GDAA Cc1cccc(CCNC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 426548755 JWIWOIAEXNAERM-UHFFFAOYSA-N 394.541 1.595 0 50 GDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 222538994 IBINDXKJMNTQOE-IBGZPJMESA-N 390.415 1.954 0 50 GDAA COc1ccc(CN2CCN(C(=O)N[C@@H](CCSC)C(=O)O)CC2=O)cc1 426438538 FTNWYYOYPUDLRZ-HNNXBMFYSA-N 395.481 1.255 0 50 GDAA NS(=O)(=O)c1ccccc1CNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 291475032 FMKVZRYPNNOVSU-GDBMZVCRSA-N 379.482 1.577 0 50 GDAA C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1 97742870 MHVZVSSMWVBWSV-OAHLLOKOSA-N 376.482 1.876 0 50 GDAA COc1ccc2c(c1)cc(C(=O)N1CCN(C(=O)N3CCOCC3)CC1)n2C 91746143 DYPSGYRHUMMHKC-UHFFFAOYSA-N 386.452 1.397 0 50 GDAA Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 95355966 VLVWVYTWMUTWAR-ZDUSSCGKSA-N 376.482 1.759 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@]2(C(=O)O)C1 96138114 IETLMVMTYSGXEN-SGTLLEGYSA-N 381.379 1.034 0 50 GDAA CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1cc(C(=O)OC)c2n[nH]c(=O)c-2c1 263584875 BSSRVHYDVZNDDX-MRXNPFEDSA-N 393.403 1.474 0 50 GDAA biogenic Cc1cnn(CCC(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c(C)c3Cl)C2)c1 952981902 KTZUFWXFURALQL-AWEZNQCLSA-N 392.891 1.935 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)CNC(=O)CC2CCCCC2)C1 276350429 HRQDHVKSTYUQNJ-INIZCTEOSA-N 388.516 1.178 0 50 GDAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCN(c2cccnn2)CC1 277420284 DISDDJKOSFRFFD-UHFFFAOYSA-N 398.858 1.569 0 50 GDAA Cc1csc2c(NCCC(=O)N3CCN(c4ncccn4)CC3)ncnc12 192557546 LEHGACNKBWHTIS-UHFFFAOYSA-N 383.481 1.941 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c(Cl)cccc23)C[C@H]1O 1529099978 KICVQPUFKMVWEU-YVEFUNNKSA-N 396.896 1.818 0 50 GDAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F)C(C)C 11766020 QLTGXONKEQRVTA-SFHVURJKSA-N 395.475 1.408 0 50 GDAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(N4CCN(C)CC4)cc3)C2)CC1 11938313 SNKNEMHRHCAIQX-FQEVSTJZSA-N 399.583 1.727 0 50 GDAA CC(C)(C)OC(=O)NCCNc1ccc(S(=O)(=O)N2CCCC2)cc1N 15775307 GVCGBAJNMPDZGW-UHFFFAOYSA-N 384.502 1.990 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)CC2=O)s1 1857701510 MDRSTGCOOOIZMF-LBPRGKRZSA-N 390.465 1.787 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCc3cscn3)C2)no1 1857702959 KCWUPVMZYCJESR-UGSOOPFHSA-N 389.481 1.483 0 50 GDAA Cn1cc(CN2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)cn1 1857708559 ACAHWWKIMDRNDI-HXUWFJFHSA-N 384.484 1.232 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccccc2-n2cncn2)[C@H]1c1cnn(C)c1 1857714954 UPSQJQIWVOAHBU-OALUTQOASA-N 395.467 1.145 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cccs3)cc2)C[C@@H]1O 1857723213 YQKOFKZYASJSOI-HOTGVXAUSA-N 394.518 1.739 0 50 GDAA Cc1ncc(S(C)(=O)=O)c(N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 1857724643 LKPQBRVUIANJFT-IXDOHACOSA-N 388.493 1.815 0 50 GDAA C[C@H]1COC[C@H]2CN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)CCN12 1857736727 SJKIJURHIFSAGU-GOEBONIOSA-N 380.452 1.280 0 50 GDAA CN(C)CCCN1CC2(CCN(C(=O)[C@]3(C)CCCCO3)CC2)OCCC1=O 1857738461 IXWHINDVMUJADL-FQEVSTJZSA-N 395.544 1.507 0 50 GDAA Cc1ocnc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)CCO3)C[C@H]1O 1875247382 UPKNYEHOSAAINA-ARFHVFGLSA-N 385.420 1.104 0 50 GDAA NC(=O)Cn1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nn1 132007833 RGEHUQBRNDPACW-MRVPVSSYSA-N 388.375 1.259 0 50 GDAA O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1n[nH]c2ccccc12 152847357 NYUMVCBACNXMQN-UHFFFAOYSA-N 376.360 1.607 0 50 GDAA Cc1ccn2ncc(C(=O)O[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)c2c1 837815407 MFJPFEGKBOAXAC-CJNGLKHVSA-N 393.465 1.127 0 50 GDAA CN1CCC(n2nnc3c2C[C@@H](c2nc(-c4cc(O)ncn4)no2)CC3)CC1 952891901 AKKYWVGYEJKOQK-NSHDSACASA-N 382.428 1.363 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 1875370426 OFPXEHZNPLHAFX-SFHVURJKSA-N 385.464 1.337 0 50 GDAA CN1CC[C@@H](c2nc(C[C@@H]3CC4(CC4)CO3)n(-c3nc4ccccn4n3)n2)C1 1875341554 XPLYYTKMQJOYRL-HUUCEWRRSA-N 379.468 1.841 0 50 GDAA C[C@H]1CCn2cc(CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)nc2C1 1858040652 FHPQJTYOSOWZAC-LBPRGKRZSA-N 390.465 1.431 0 50 GDAA Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CC(=O)N(Cc2c(F)cccc2F)C1 2325792959 YGEFEYFSABJPOP-LLVKDONJSA-N 391.374 1.034 0 50 GDAA C[C@H]1CN2C(=O)[C@@H](Cc3c[nH]c4ccc(Br)cc34)NC(=O)[C@@H]2CO1 2325801683 SBPRJARQSGEDJE-AMFBXLIHSA-N 392.253 1.587 0 50 GDAA CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 2325824077 OMNXUZMAJGVWSL-KRWDZBQOSA-N 398.415 1.930 0 50 GDAA C[C@@H](NC1=CC(=O)N([C@@H]2CCC(=O)NC2=O)C1=O)c1ccc(C(F)(F)F)cc1 2325853929 IJBABXFJCZWFMD-NOZJJQNGSA-N 395.337 1.414 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 2325885224 NNSJIXFCOAHGFH-UHFFFAOYSA-N 393.281 1.904 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccn1 2356144178 LWCQZMJIBLCCQU-GJZGRUSLSA-N 376.438 1.364 0 50 GDAA Cc1nc([C@H]2OCC(=O)N[C@@H]2c2ccccc2)n(-c2ccc3nnc(C)n3n2)n1 2356159372 XPQNTDOJNUKHRB-MSOLQXFVSA-N 390.407 1.251 0 50 GDAA CCC[C@H]1COC[C@H]2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)CCN12 2356169783 ZMROOOHFFVVOPF-JKSUJKDBSA-N 381.904 1.889 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)CO)cn1C 225546098 LRLFGYXGOUBAHP-INIZCTEOSA-N 380.466 1.850 0 50 GDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 21795682 FKUHMNOZZVYFAT-UHFFFAOYSA-N 395.511 1.891 0 50 GDAA CCN1CCN(C[C@@]2(O)CCCN(Cc3cccc(OC)c3OC)C2=O)CC1 67755965 BDOJPUCKZKFQPU-NRFANRHFSA-N 391.512 1.195 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1C 65363192 COJPISCEWAUUKD-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CC1=C(C(=O)NCCC(=O)Nc2nccs2)[C@H](c2cccnc2)NC(=O)N1 67784680 VGEVPATXRMQRGX-AWEZNQCLSA-N 386.437 1.311 0 50 GDAA CC1=C(C(=O)N(C)Cc2ncc[nH]2)[C@H](c2ccc3c(c2)OCCO3)NC(=O)N1 67755670 SDGWPHBZZFRITM-KRWDZBQOSA-N 383.408 1.467 0 50 GDAA CC1(C)[C@H](C(F)(F)F)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 252523143 BZDGGBDRHIPNBF-GFCCVEGCSA-N 379.404 1.935 0 50 GDAA Cc1ccn(-c2cc(NCCNS(=O)(=O)c3ccc(F)c(F)c3)ncn2)n1 72115522 ZRHCSZATGORNHR-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA CC(C)C(=O)N1CCOC[C@]2(CN(Cc3ccc(N(C)C)nc3)CCO2)C1 72162979 XELZZXMUZVGSDZ-FQEVSTJZSA-N 376.501 1.233 0 50 GDAA Cc1cnc2c(S(=O)(=O)N[C@H]3CCCN(c4ccnn4C)C3=O)cccc2c1 328612385 OOSQRDBPMKXCBH-HNNXBMFYSA-N 399.476 1.751 0 50 GDAA NCCn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)nn1 77354494 PQBMANMZUHIVIN-MRXNPFEDSA-N 379.468 1.571 0 50 GDAA CC[C@H]1CN(S(=O)(=O)N2CCOCC2)CCC(=O)N1Cc1ccccc1 71662265 CFKJXXYKOSNCHH-KRWDZBQOSA-N 381.498 1.077 0 50 GDAA CCOc1ccc(CN2CCN(c3ncccc3C(N)=O)C[C@@H]2CCO)cc1 72426429 FFGKZDUTFLGNSZ-KRWDZBQOSA-N 384.480 1.652 0 50 GDAA C[C@@H](O)CN1CCC(CN(C)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 363744883 CGKFUTJUXNJYLN-MRXNPFEDSA-N 386.500 1.502 0 50 GDAA O=C(NCCn1ccnc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 185965901 AROAYLIXRIWKFV-UHFFFAOYSA-N 375.380 1.285 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 262173167 VMGUXZUTGSMZDB-OLZOCXBDSA-N 379.800 1.621 0 50 GDAA CC(C)C(=O)N1CCN(Cc2c(F)cccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 72463050 PHAZCEKDNFFFQL-JKSUJKDBSA-N 388.892 1.945 0 50 GDAA O=S(=O)(Cc1ccon1)c1nnc(N2CCOCC2)n1-c1ccccc1 285230343 XVJXNEGRJROURQ-UHFFFAOYSA-N 375.410 1.066 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@@H](C(=O)O)C1 263129780 YALFGWMIOSDDEZ-GFCCVEGCSA-N 399.469 1.664 0 50 GDAA CN1CCCC[C@@H]1CN1CCN(C(=O)c2cc3ccccc3c(=O)n2C)CC1 285495586 PSABQFUGAAISFX-GOSISDBHSA-N 382.508 1.781 0 50 GDAA Cc1ccc(CN2CCN(C(=O)NCCN3CCCC[C@H]3CO)CC2=O)cc1 426403858 XNAYZVXEEHSERW-IBGZPJMESA-N 388.512 1.196 0 50 GDAA CC(C)[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1NS(=O)(=O)N(C)C 95372575 GCQBQVQQWCOJKP-GOEBONIOSA-N 387.933 1.762 0 50 GDAA O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@@H]1CO 179615333 DYBQXDVDXJYNIX-GFCCVEGCSA-N 398.389 1.343 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)CCCc3cn[nH]c3)C[C@H]2CCC(=O)O)CC1 95362821 RGBOTJXPTVTHMU-MSOLQXFVSA-N 391.516 1.062 0 50 GDAA CCCc1noc(CN(C)S(=O)(=O)c2cccc(C(=O)NC(C)C)c2)n1 95377967 IVPSLTWTZFLLCB-UHFFFAOYSA-N 380.470 1.981 0 50 GDAA COC(=O)[C@@]12[C@H]3[C@H]4[C@H]5[C@H]([C@@H]6CCC(=O)[C@@H]6[C@@H]51)[C@]2(C(=O)OC)[C@@H]4[C@H]1CCC(=O)[C@@H]31 247869473 ZAUBUEUXPABYLK-DJQZENHESA-N 384.428 1.261 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)NCC[C@@H]3CCCOC3)CC2)c1 528093824 FTCSTCQWMXYXOT-INIZCTEOSA-N 375.469 1.979 0 50 GDAA Cn1c(=O)c(CN2C[C@@H](CO)C[C@@H](CN3CCOCC3)C2)cc2ccccc21 1073398719 BIVAGHQEZFEPSU-ROUUACIJSA-N 385.508 1.301 0 50 GDAA O=C(c1ccc(CN2CCCC2)o1)N1CCCO[C@@H](CN2CCOCC2)C1 299794618 LRPGIXSIPXGKHY-SFHVURJKSA-N 377.485 1.439 0 50 GDAA O=C1NCCN2CCN(C(=O)c3ccc(-c4ccc5c(c4)OCC5)cc3)C[C@H]12 584887208 ZNGSIERJGKIBKA-LJQANCHMSA-N 377.444 1.545 0 50 GDAA Cc1c(F)cccc1NC(=O)CN1CCC(CNC(=O)Cn2cccn2)CC1 952982083 FGOIPBPSDSEJFG-UHFFFAOYSA-N 387.459 1.798 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3c(C)cc(C)n(C)c3=O)C2)no1 952976171 JQLOEHPHRGSVBW-HNNXBMFYSA-N 386.452 1.581 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc4cc(O)ccc4c3)C[C@]2(C(=O)O)C1 1565509237 BSXWICMMORAHCP-LPHOPBHVSA-N 390.461 1.323 0 50 GDAA O=C1C[C@@H]2CN(Cc3ccccc3OCCCCN3CCOCC3)C[C@@H]2CN1 1800408106 AYHHDSNSHZPZJR-UXHICEINSA-N 387.524 1.746 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)ccc21 15919230 JBSSWIPPQJXHJP-UHFFFAOYSA-N 395.444 1.844 0 50 GDAA COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(F)cc1)C3 19821165 LWQSAWBZQWIABO-GFCCVEGCSA-N 383.379 1.783 0 50 GDAA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 4472167 LESDUVINMMJLFH-GMROUXNLSA-N 389.433 1.865 0 50 GDAA Cc1nonc1C(=O)N[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)c(Cl)c2)C1 1857681691 JDXAWAOQQFGUNF-NWDGAFQWSA-N 378.816 1.747 0 50 GDAA O=C(CCc1cccc(Cl)c1)N1C[C@@H]2COC[C@]2(C(=O)N2CCOCC2)C1 1857691258 CGFPOQNYVXFULR-OXQOHEQNSA-N 392.883 1.606 0 50 GDAA CC[C@@]1(C(=O)N2CCC(OC)CC2)C[C@@H]2CC[C@H]1N2C(=O)c1nonc1C 1857699936 FBDZJZFDCDTROS-ZBQZNYHESA-N 376.457 1.789 0 50 GDAA O=S(=O)(c1cccnc1C(F)(F)F)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857712646 KGFZMUDNPNANGU-CHWSQXEVSA-N 391.415 1.584 0 50 GDAA Cc1ncccc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857715146 DPPFMTOAJRLACD-PMACEKPBSA-N 382.464 1.700 0 50 GDAA O=C(c1ccc(NCc2ccncc2)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857718811 UIUJZXIRYWTEEF-NQIIRXRSSA-N 378.432 1.867 0 50 GDAA CCn1ccc(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)n1 1857721661 ADXVQLCGUYPCTB-BXWFABGCSA-N 396.447 1.490 0 50 GDAA Cc1nc2c([nH]1)CN(C[C@]1(O)CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1857739583 WFBBOTRYTDQFQM-OAQYLSRUSA-N 398.463 1.472 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2ccncc2)CC[C@H]1NC(=O)COC 1875246991 OXJLWVPHJRISCJ-RCCFBDPRSA-N 377.485 1.467 0 50 GDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC[C@H]1O 1704337426 XKUMYDSXCSDQAQ-ZBFHGGJFSA-N 391.873 1.975 0 50 GDAA COc1cccc2c1CCN(c1ncnc3c1ncn3CC1(CO)COC1)CC2 1875269144 IUOHQJRKJSQYAR-UHFFFAOYSA-N 395.463 1.449 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1c(C)nn(C)c1C)C[C@H](C)O[C@@H]2C 1875314470 AMGJSKFBHDDBHG-SMDDNHRTSA-N 375.473 1.832 0 50 GDAA Cc1ccc2[nH]c(C(=O)N3CC4(CN(C)C[C@H]4c4cc[nH]c(=N)n4)C3)cc2c1 1875393142 HRKLCFIAVQMSAA-HNNXBMFYSA-N 376.464 1.850 0 50 GDAA COCCN1C(=O)C[C@H](CNC(=O)c2cccn3nccc23)[C@H]1c1cnn(C)c1 880637784 XTFCJQIXYDHASD-KUHUBIRLSA-N 396.451 1.034 0 50 GDAA Cc1ccncc1C(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CC(C)(C)CO1 1775992239 QGCPJBRTXMTDFW-JKSUJKDBSA-N 375.469 1.552 0 50 GDAA COC(=O)CCCC(=O)N[C@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[C@@H]1O 2100534346 DSARPPHQHXSWCG-BPUTZDHNSA-N 380.416 1.041 0 50 GDAA COC(=O)c1cnc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1 2100543759 YGGPBGYVWVQKQB-KUHUBIRLSA-N 392.415 1.799 0 50 GDAA O=C1CC2(CCNCC2)[C@@H](CNC(=O)c2c(F)cncc2Br)O1 2325786498 QUCGKQUWVUGSOF-LLVKDONJSA-N 386.221 1.398 0 50 GDAA COC(=O)C[C@@H](NC(=O)NS(=O)(=O)c1ccc(OC(F)F)cc1)C(C)C 2325841420 UBRNKGYCPLLKMY-GFCCVEGCSA-N 394.396 1.864 0 50 GDAA COc1ccc(C[C@](C)(CO)NC(=O)[C@@H](N)C[C@@H]2CCCCO2)cc1OC 2325860938 ZSJMNNMKDRXRAF-TWOQFEAHSA-N 380.485 1.400 0 50 GDAA COC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 633085 XCOAVCGPAJOJAP-LLVKDONJSA-N 388.449 1.434 0 50 GDAA COc1ccc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1857798224 VQJWLXSCWGENMO-QGZVFWFLSA-N 393.399 1.709 0 50 GDAA Cc1cccc(Cn2c(Sc3ncccn3)nc3c2c(=O)[nH]c(=O)n3C)c1 1264798 YHSBIECIBJMIQB-UHFFFAOYSA-N 380.433 1.721 0 50 GDAA COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 2872913 ZSJBSLVBYZDFHX-UHFFFAOYSA-N 392.477 1.962 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356170960 KEDPVJBDYBLNTQ-UHFFFAOYSA-N 386.481 1.542 0 50 GDAA COc1ccc(OC)c(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 101749816 FILCLQBKXCAMOO-YDHLFZDLSA-N 382.482 1.775 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 173256073 YEJBQCLYXPFXFN-UHFFFAOYSA-N 390.509 1.999 0 50 GDAA CC[C@H]1C[C@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)CCO1 420892557 JCAJSYOYEROOJO-CABCVRRESA-N 381.498 1.620 0 50 GDAA CCNc1nc(C)c(C(=O)N2CCC[C@@H](Cn3cc(C(=O)O)nn3)C2)s1 67851275 RRRTZGQPYARPLF-LLVKDONJSA-N 378.458 1.725 0 50 GDAA O=C(NCc1cccnc1N1CCOCC1)[C@@H](c1cccnc1)N1CCCC1 67847189 JCABANVEZVIHHN-LJQANCHMSA-N 381.480 1.767 0 50 GDAA COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@H](O)CN(C)C(C)C 20210960 FCUNFVCDLKESCQ-LJQANCHMSA-N 390.528 1.841 0 50 GDAA CN(Cc1nncn1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 67772328 CJPUXRFTJVGBHA-UHFFFAOYSA-N 394.483 1.595 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccno3)C2=O)c1OC 67833834 ARMRJVIYLJWPSO-HXUWFJFHSA-N 389.452 1.677 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)cn1 252001417 WPGOADJKUAIZJW-FZKQIMNGSA-N 377.466 1.989 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N[C@@H](c2cccnc2)C(F)(F)F)CC1 12308770 VAWJAYQTDPGKLS-INIZCTEOSA-N 397.405 1.720 0 50 GDAA CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCN)c1)c1ccc(F)cc1 216414134 AEJIZUVFIQVHEL-QGZVFWFLSA-N 379.457 1.944 0 50 GDAA COc1ccccc1NC1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 124574357 VAAWBXKUHPXBIS-UHFFFAOYSA-N 395.463 1.998 0 50 GDAA Cc1ccc(CN2C[C@@H](C(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2=O)cc1 330146070 SPQJQOAXPJBGMX-AWEZNQCLSA-N 383.370 1.534 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12595176 SNSXHANTJVLGNL-MRXNPFEDSA-N 376.482 1.539 0 50 GDAA COC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc(C)c1C 34861711 DKXFAVXXYAGRCF-UHFFFAOYSA-N 389.481 1.702 0 50 GDAA CC(C)CC(=O)N1CCN(Cc2ccc(C(=O)O)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72429392 QTDGGOVPXOUFLQ-DLBZAZTESA-N 394.493 1.241 0 50 GDAA O=C(O)CN1CC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)OC1=O 77488602 HJSMENKQEJNUNI-UHFFFAOYSA-N 384.335 1.800 0 50 GDAA COc1ccc2c(c1)C[C@H](C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)CO2 263176031 QRDCLNNELKFFJG-HNNXBMFYSA-N 390.436 1.028 0 50 GDAA Nc1ccnc(N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 71750733 REEJVGOLGDLNAB-QGZVFWFLSA-N 395.511 1.451 0 50 GDAA CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c2c1CNC2 44138102 KLRUJKXTUJSKCG-UHFFFAOYSA-N 398.467 1.495 0 50 GDAA COc1cccc([C@@H]2C[C@H](C(=O)Nc3cc(C)on3)N(C)S(=O)(=O)N2)c1 40474464 LGIISTRDXSQVTD-UONOGXRCSA-N 380.426 1.210 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](C(=O)O)C3)n2)c(F)c1 49543831 OZDGWQSHNWJKAD-GFCCVEGCSA-N 389.383 1.381 0 50 GDAA CC(C)c1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c(=O)[nH]1 222890149 VUIQDAZURPVSFE-ZIAGYGMSSA-N 378.454 1.454 0 50 GDAA C[C@H]1CNC(=O)CCN1C(=O)c1cccc(-c2nnnn2-c2ccccc2)c1 426441693 CNIPKNITTAUJOX-AWEZNQCLSA-N 376.420 1.680 0 50 GDAA NC(=O)c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)cc2)o1 426571659 RSOQGMMBVVIWCS-UHFFFAOYSA-N 380.408 1.122 0 50 GDAA CNC[C@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 178980443 MOTLGVIFNHKJHX-LLVKDONJSA-N 379.258 1.227 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2C1 91486963 QKTGMEQIPGOCQV-HNNXBMFYSA-N 383.452 1.248 0 50 GDAA COCCc1noc([C@H](C)NC(=O)Nc2cc(S(N)(=O)=O)ccc2C)n1 96141088 FVLXNLOSLJDCEN-JTQLQIEISA-N 383.430 1.097 0 50 GDAA Cc1n[nH]c(CC(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 91548678 GMRFNFAHRYEANH-OAHLLOKOSA-N 375.473 1.066 0 50 GDAA O=C(NCCn1ccnc1)c1cccc(S(=O)(=O)NCc2ccccn2)c1 97757878 YPIKODXEXHXIRI-UHFFFAOYSA-N 385.449 1.187 0 50 GDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CC(=O)NCCC(=O)O)C1 91594363 KWICKBGJKPPKHO-IBGZPJMESA-N 376.409 1.177 0 50 GDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](CO)CCSC)C=C2 252527974 DWJCSTFJLXGJKB-OAHLLOKOSA-N 394.493 1.289 0 50 GDAA CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3COc4ccc(F)cc4C3)ccc21 296957723 HOIOBCHFEISMFY-CQSZACIVSA-N 376.409 1.627 0 50 GDAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cn1c(O)nc2ccccc2c1=O 299754444 PXHCBHLTSADOAB-CRAIPNDOSA-N 384.480 1.825 0 50 GDAA biogenic C[C@H]1N(C(=O)CNS(=O)(=O)c2cccs2)CCC[C@@]12CCCN(C)C2=O 1940193675 GCUXBZKJEHGENP-DYVFJYSZSA-N 399.538 1.276 0 50 GDAA Cc1csc(C(=O)N2CCC(NC(N)=O)CC2)c1I 187881739 NJFUMDMSSSGNIT-UHFFFAOYSA-N 393.250 1.934 0 50 GDAA C[C@@H]1CCc2c(sc3nc(CCC(=O)NCC(F)(F)CN)[nH]c(=O)c23)C1 190320010 SUPLKYLBEBJXRZ-SECBINFHSA-N 384.452 1.752 0 50 GDAA Cc1cc(C)n(-c2cccc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)c2)n1 1506412354 BNPRTKKGUDXHGU-UHFFFAOYSA-N 380.496 1.871 0 50 GDAA Cc1ccccc1-c1ncc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)s1 1529095232 PKPNYXPEPYJJHI-WMLDXEAASA-N 395.550 1.803 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)CCN(C)C)OCC(=O)N2C2CC2)cc1 1529186845 LBUMRTJWXOFBNO-MOPGFXCFSA-N 375.469 1.146 0 50 GDAA COCc1nnc(NC(=O)CN2CCCN(Cc3ccncc3)CC2)s1 1529152629 NDJRVFMTWXGWDV-UHFFFAOYSA-N 376.486 1.226 0 50 GDAA Cc1c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)[nH]c2ccc(F)cc12 1704302696 BJYJOPFEYPGPSQ-XHDPSFHLSA-N 383.445 1.252 0 50 GDAA CN1CC2(CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)CC2)OCC1=O 1772807563 PBKQKEGHZQLLJR-UHFFFAOYSA-N 388.855 1.989 0 50 GDAA Cc1nc2c([nH]1)CN(C(=O)[C@@H]1CCc3sc(N4CCOCC4)nc3C1)CC2 1772814819 CWARVLPBECGKNU-CYBMUJFWSA-N 387.509 1.701 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772806983 NHNSHAAFGYBKBZ-AWEZNQCLSA-N 375.498 1.509 0 50 GDAA COCCCn1c(CN(Cc2cnn(C)c2)C(C)C)cnc1S(C)(=O)=O 12202336 UDBRLUCWUNIZSG-UHFFFAOYSA-N 383.518 1.467 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1c(C)n[nH]c1C 12836060 MDFMAZHMFPPBJH-FQEVSTJZSA-N 397.523 1.727 0 50 GDAA COC(=O)[C@@H](CCSC)NC(=O)c1cn(CCCc2ccccc2)nn1 15080431 FZXGQYIDUBWMAZ-OAHLLOKOSA-N 376.482 1.935 0 50 GDAA Cc1cc(N2C(=O)C[C@H](N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1 18271422 SGHTXGPSSLLDKO-INIZCTEOSA-N 395.419 1.595 0 50 GDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)cc2c(=O)[nH]1 169777018 YBYPKEOQLOUVDO-UHFFFAOYSA-N 397.410 1.505 0 50 GDAA CN(C)C(=O)CN1CCOC2(CCN(c3ncccc3Cl)CC2)CC1=O 1857693840 OXKJBQLKSUAMGU-UHFFFAOYSA-N 380.876 1.411 0 50 GDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)N1CCC[C@H]1CO 1857702998 LWIPHYRYAZDZSS-ZWKOTPCHSA-N 383.496 1.456 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(c2ccc(Cl)c(C(=O)O)n2)CC1 1857716040 TYPCYBSFFDEKAE-UHFFFAOYSA-N 375.816 1.826 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC([C@@H](O)CN3C[C@H](C)O[C@H](C)C3)CC2)o1 1857718258 QNCSKVIWXMZVFV-DAYGRLMNSA-N 378.469 1.271 0 50 GDAA Cn1ncc(C2CC2)c1C(=O)NS(=O)(=O)c1cnn(Cc2ccccc2)c1 850876364 ZIZONZZLKIIHIK-UHFFFAOYSA-N 385.449 1.661 0 50 GDAA NCCn1cc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1 1875291846 NMFATMWOUKBSTI-UHFFFAOYSA-N 395.385 1.459 0 50 GDAA Cc1nc(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)Cc4cccnc4)C3)C2)n[nH]1 1875322495 VEFVKXQPJKWQDK-ZWKOTPCHSA-N 396.495 1.380 0 50 GDAA O=C1NCC2(CC(NC(=O)N3CC[C@@](O)(c4cccc(C(F)(F)F)c4)C3)C2)O1 1875300844 SHTUUUFLFKIOSW-IMRCBTMISA-N 399.369 1.949 0 50 GDAA CC(C)c1nnc2n1CCN(S(=O)(=O)C[C@@H]1COc3ccccc3O1)[C@H]2C 882111222 XTUKHJDRXTYFRH-KBPBESRZSA-N 392.481 1.948 0 50 GDAA CCS(=O)(=O)N1CCC(N(CC(=O)OC(C)(C)C)C(=O)c2cc[nH]c2)CC1 888096846 NVLMVHRYUDSDON-UHFFFAOYSA-N 399.513 1.613 0 50 GDAA CCn1ncc(C(=O)NC[C@@]2(C)CN(c3ccc(C(F)(F)F)nn3)CCO2)n1 1775992690 UVSIWZADBALFNI-HNNXBMFYSA-N 399.377 1.132 0 50 GDAA CCOC(=O)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 4593436 DPQLLUSPHSFPCL-UHFFFAOYSA-N 395.264 1.727 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NC2CC2)C[C@@H]1O)c1csc(Cc2ccccc2)n1 2100536889 DGEUYYFJTPYBAX-QRTARXTBSA-N 385.489 1.882 0 50 GDAA COc1cccc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 1857797943 GDFACAOBEJVIRT-KRWDZBQOSA-N 393.399 1.709 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356137245 UOLWTJUVPNWCMU-OAQYLSRUSA-N 390.447 1.922 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N=c3nc4nccc(C5CC5)n4[nH]3)CC2)c1 2356147786 PCVANTQUKBDEIF-UHFFFAOYSA-N 391.479 1.493 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cn(CC)cn2)C[C@H]1NS(C)(=O)=O 2356162819 LJMFQLBUYKMKTL-NUEKZKHPSA-N 386.518 1.032 0 50 GDAA Cc1ccc(=NCCCNC(=O)c2ccc3nnc([C@@H](O)C(C)C)n3c2)[nH]c1 2356165890 JJKWHFRLTHPMQF-SFHVURJKSA-N 382.468 1.776 0 50 GDAA COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2c1c(=O)n(C)c(=O)n2C 4868150 QMWPJOJRHRLHSF-INIZCTEOSA-N 399.447 1.876 0 50 GDAA COC(=O)CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55369621 DAGKPCLFKTXHPA-GOSISDBHSA-N 377.460 1.892 0 50 GDAA O=C1C[C@H](Cc2ccc(C(=O)NCCC(=O)OC3CCCCC3)cc2)C(=O)N1 225761427 RSPKNSKYUDUGEC-INIZCTEOSA-N 386.448 1.888 0 50 GDAA COc1cc(CN2CCN(c3nccc(OC)n3)C[C@@H]2CCO)cc(OC)c1 106945369 YPUGULWCCIMMLC-INIZCTEOSA-N 388.468 1.576 0 50 GDAA CCn1c(=O)oc2cc(S(=O)(=O)NCC(=O)N(C)C3CCCCC3)ccc21 467047608 SFOWSNJCCDSBNK-UHFFFAOYSA-N 395.481 1.684 0 50 GDAA CCn1c(C2CCN(C3CCN(Cc4cccnc4)CC3)CC2)nn(C)c1=O 67805791 UCHHKHKLLPABQP-UHFFFAOYSA-N 384.528 1.841 0 50 GDAA O=c1n(Cc2cccc(NS(=O)(=O)C[C@H]3CCCO3)c2)nc2ccccn12 171806940 CMSDSOVBACMUEZ-MRXNPFEDSA-N 388.449 1.465 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1 67629544 ZAWPAABOYCFNPE-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CC[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@H]1O 252512273 OQODGMMBLCEVRP-IUODEOHRSA-N 398.301 1.515 0 50 GDAA CN(C)CCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71747623 YVNAMWDHUCCWAE-HXUWFJFHSA-N 387.572 1.826 0 50 GDAA CC[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1ccccc1 77135999 XBADQRLKDCLWOL-WMZOPIPTSA-N 381.542 1.890 0 50 GDAA Cn1cncc1[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 328627935 NENMVUNNEFTQKW-GUYCJALGSA-N 393.465 1.780 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)c[nH]1 71755352 HOTNWVIZTRPQAX-SFHVURJKSA-N 388.560 1.169 0 50 GDAA Cc1cc(F)cc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72439677 IUKPBPLIBBDTLU-ZWKOTPCHSA-N 382.501 1.990 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)co1 281656043 WPEVAJFRTKQBFI-HIFRSBDPSA-N 377.422 1.769 0 50 GDAA CCc1nc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)no1 71524051 CRRUMLTUBLXJLJ-HNNXBMFYSA-N 389.500 1.361 0 50 GDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)c1c[nH]c3ccc(F)cc3c1=O)C2 72431709 WKLXNLPXSSZLCE-UHFFFAOYSA-N 384.367 1.537 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 448013081 LPWOQDRRIWRENU-AHIWAGSCSA-N 383.470 1.395 0 50 GDAA CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCCn3c(cc4ccccc43)C2)C1 376931508 NNQMBVYEYSPDCD-OAHLLOKOSA-N 390.509 1.838 0 50 GDAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 225695664 PWENXHQPXHWCEF-TUVASFSCSA-N 390.440 1.392 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cnn(C)c2)CC1 173677562 RYNOKYJLQJEYQD-FQEVSTJZSA-N 394.479 1.297 0 50 GDAA Cc1cn(CC(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)c(=O)[nH]c1=O 91440258 DDTMYBLOAQECHG-MRXNPFEDSA-N 391.431 1.496 0 50 GDAA Cn1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)cn1 91452454 DNYYDLOATGJWOS-UHFFFAOYSA-N 384.484 1.552 0 50 GDAA COCc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2)n[nH]1 92080450 PFNXTNUIRNZAGR-NSHDSACASA-N 392.843 1.887 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1oc(C)nc1C)CC2 95521827 ORYIOOFJKKOFBF-UHFFFAOYSA-N 387.440 1.177 0 50 GDAA OCCC[C@@H]1CN(c2ncc(F)c(N3CCCC3)n2)CC[C@@H]1N1CCOCC1 91793059 YYWQVCHCQKHWIL-AEFFLSMTSA-N 393.507 1.516 0 50 GDAA Cc1nc(CC(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c(C)s1 244633436 GDAFZRDVJJMYQW-HDJSIYSDSA-N 385.497 1.738 0 50 GDAA COc1cnc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1O 244659736 HHYNRLSUUFLOAW-UHFFFAOYSA-N 375.376 1.988 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cn2cc(Br)cn2)o1 299741727 AJDGGVQLGAEYJW-NSHDSACASA-N 384.186 1.213 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCO1 299750208 MWAGEENMDXJTFN-GWCFXTLKSA-N 397.225 1.114 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)[C@@H](c2ccccc2)N1 1940197727 MBMDKQLCAKSLIR-RTWAWAEBSA-N 395.459 1.846 0 50 GDAA CC(=O)c1cc(C(=O)N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)[nH]n1 48267871 YCNSZPSUFKEAKD-UHFFFAOYSA-N 379.376 1.930 0 50 GDAA Cc1c(NC(=O)N2CCN(CCOCCO)CC2)cccc1N1CCCC1 299768618 OOHPMLAIAVGJRN-UHFFFAOYSA-N 376.501 1.754 0 50 GDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](O)C1 1565505915 ADXASBNMFDDNGL-PMACEKPBSA-N 386.496 1.475 0 50 GDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616078242 ALUVMMNPEIQVEN-RDJZCZTQSA-N 392.883 1.975 0 50 GDAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cc(-n2cnnn2)ccc1O 1506397172 ITLLRUXLPIOUOK-UHFFFAOYSA-N 377.364 1.690 0 50 GDAA COCCn1ccnc1CN1CCCN(C(=O)COc2ccc(F)cc2)CC1 1529186616 ITGNATGHCULLFU-UHFFFAOYSA-N 390.459 1.782 0 50 GDAA O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCN(c2nc[nH]n2)CC1 1772815005 BUUDHUQNQMZUBT-CQSZACIVSA-N 395.492 1.777 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc2c(c1)OCO2 5247546 HSXXKYCRIUTPKT-WWNBULGVSA-N 392.404 1.581 0 50 GDAA COCCOC1CCN(Cc2cc(OC)ccc2OC[C@@H](O)CN(C)C)CC1 11842822 BQLLDRFHXFATTR-SFHVURJKSA-N 396.528 1.624 0 50 GDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)nn1 12244855 HTIRTJRAILNQIS-MRXNPFEDSA-N 377.489 1.788 0 50 GDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1)CC2 12158996 YQUQSOVLYSDPON-OAHLLOKOSA-N 387.484 1.559 0 50 GDAA Cc1nccn1CCNC(=O)c1cnn(-c2nccc(-c3cccnc3)n2)c1C 15070826 IGUPMRPONSSAQH-UHFFFAOYSA-N 388.435 1.968 0 50 GDAA Cc1cnc(CN(C)C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)[nH]1 15072018 VHPLZZRGDFCDCK-IBGZPJMESA-N 378.423 1.982 0 50 GDAA COc1cc(-c2nccn2[C@H]2CCOC2)ccc1OCC(=O)N1CCOCC1 1857674371 FPFWSEJXCKWONB-INIZCTEOSA-N 387.436 1.758 0 50 GDAA CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857687564 YSZRHYFAEQXZBF-HRCADAONSA-N 386.901 1.405 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CC[C@@H](N(C)C)C3)sc12 1857702565 NWZZHHCTSXIFBR-MRXNPFEDSA-N 391.537 1.935 0 50 GDAA Cn1nccc1C(=O)N1CCC[C@]2(CCc3c2nc(C2CC2)[nH]c3=NCCO)C1 1857712523 CORCFEGJTAOYDA-NRFANRHFSA-N 396.495 1.034 0 50 GDAA Cc1ncc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c(O)n1 1857714548 DOTNFOHCZZQPKN-LPHOPBHVSA-N 375.400 1.058 0 50 GDAA CCCCS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3occc3C)[C@H]3CC[C@]2(C1)O3 1857717172 XRQAEGJFAGGIOF-WFXMFSGNSA-N 396.509 1.927 0 50 GDAA COc1ccccc1OC1CCN(C[C@H]2COCCN(S(C)(=O)=O)C2)CC1 1857734903 XXZIGGBHRAZBDR-MRXNPFEDSA-N 398.525 1.446 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2ccccc2)n1C 1875249485 VTCKIUUDYALHPX-JKSUJKDBSA-N 391.493 1.328 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2c1OCCO2 328612734 POFIQTHUVNQHEY-GFCCVEGCSA-N 378.454 1.986 0 50 GDAA CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)C4CC4)CC[C@H]32)CC1 864096990 YKOHNBAOUMBUBE-JKSUJKDBSA-N 392.500 1.791 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2cnnc(-c3ccccc3)c2)N(c2ccncn2)C1 864339019 RTSRHYRJUAAHTP-ROUUACIJSA-N 390.447 1.957 0 50 GDAA COc1cccc(C[C@@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C2CC2)c1 1875257250 YYIUVSFCKRWXDV-KBXCAEBGSA-N 395.525 1.692 0 50 GDAA O=C1CCC[C@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@@H]2N1 1875283113 GQBLBVRYLUPCLY-JSGCOSHPSA-N 380.374 1.845 0 50 GDAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCOC3)cc2)n1 888093141 BVTOJKQQQDVASV-CYBMUJFWSA-N 376.438 1.869 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)Cc4cccs4)CC3)[C@@H]2C1 1775962214 ZLKMZWFAYMFWFV-CVEARBPZSA-N 391.493 1.723 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cccc(C)c2)cc1OC 2100547018 ABDZFBKSHRTLJG-UXHICEINSA-N 384.432 1.885 0 50 GDAA Cc1cccc(N2CCC[C@@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2=O)c1 2325785240 LMLLSHBPZMCLQG-SJORKVTESA-N 390.459 1.735 0 50 GDAA C[C@@](O)(CC(=O)N1C[C@H]2[C@H](NC(=O)C3CCN(CC4CC4)CC3)[C@H]2C1)C1CC1 2325793807 IKLNPUFBCOTKCV-YSNWRPKNSA-N 389.540 1.233 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1 2356156244 YKUSXZAZKLGIMS-NRFANRHFSA-N 390.447 1.488 0 50 GDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(C)ccc2OC)C1=O 2356165104 TWMMXTVCNMMPPK-IBGZPJMESA-N 396.509 1.796 0 50 GDAA COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)N1CCOCC1 7361546 KPPQRKQLVYBSTI-UHFFFAOYSA-N 377.422 1.363 0 50 GDAA C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(=O)NCc1ccco1 109324947 YKOUVFCUBZYQDQ-YJBOKZPZSA-N 383.448 1.634 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1 8180710 QWQDWKDOQQLPAD-UHFFFAOYSA-N 391.449 1.062 0 50 GDAA CC(C)=CCN1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO 104643925 RPPNUOLAMGCJBG-LJQANCHMSA-N 384.524 1.961 0 50 GDAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCCC[C@H]1CN1CCCC1 67726163 QQPWRXVVPHIYOP-INIZCTEOSA-N 376.501 1.722 0 50 GDAA Cc1ccc([C@H](CNC(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)N(C)C)cc1 136186883 MFDNIZSNPSJZTJ-MSOLQXFVSA-N 396.557 1.709 0 50 GDAA CC(=O)N1CCn2nc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)cc2C1 65406361 XOJYJOJZGHHGMY-CYBMUJFWSA-N 384.436 1.898 0 50 GDAA C[C@H](O)C(=O)N1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 67458077 XHTCCPNAKTXTFN-AWEZNQCLSA-N 392.481 1.369 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc(-n2cccn2)n1 65363856 DOBXDGWQEJJVEE-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1 67713606 ZQBDLYNRMPKEBS-UHFFFAOYSA-N 375.450 1.161 0 50 GDAA CS(=O)(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 12301096 ZHBPHTZJQSIRMZ-IBGZPJMESA-N 393.553 1.829 0 50 GDAA COC(=O)C1CCN(c2nncc(-c3cc(OC)c(OC)c(OC)c3)n2)CC1 11814999 HWUYXPMQMGGMPI-UHFFFAOYSA-N 388.424 1.954 0 50 GDAA CCOc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cc1 218932581 HTNMAELJUPMOIQ-GOSISDBHSA-N 379.482 1.376 0 50 GDAA CNC(=O)c1cccnc1N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71748503 SSBFRTMLYVJONA-KRWDZBQOSA-N 399.539 1.744 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC1(CO)CCCC1)CO2 71745804 HAQXHLAKXAPHER-MRXNPFEDSA-N 389.496 1.645 0 50 GDAA Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)c(C)s1 333657613 KYCQHEKEPMIEOV-HUUCEWRRSA-N 398.554 1.274 0 50 GDAA CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 72433948 SDWXFVRXFIOROH-UHFFFAOYSA-N 397.516 1.578 0 50 GDAA C[C@@H](NC(=O)CCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2n1C 223230380 NGMYNZSTERMQDK-GFCCVEGCSA-N 392.419 1.617 0 50 GDAA Cc1cnc(C)c(-c2ccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)cc2)n1 426412634 CICGXOCOMNVJEL-UHFFFAOYSA-N 377.452 1.837 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC3(CCCO3)CC2)o1 426413080 ZUSSQSCGPXKOIZ-KRWDZBQOSA-N 375.469 1.450 0 50 GDAA NC(=O)c1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 40266398 BDSJFKZKFFQWPA-UHFFFAOYSA-N 381.436 1.248 0 50 GDAA COCCCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@@H]2C(=O)OC 226306243 ODAVAJYLFNYAEO-DEYYWGMASA-N 380.466 1.861 0 50 GDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 223276967 WYODEZISQYXQPL-RZCHIYRCSA-N 384.358 1.836 0 50 GDAA Cc1cc(N2CCN(C(=O)c3nn(C)c4ccccc34)CC2)n2ncnc2n1 220164091 UGZJRPLYXVWCRF-UHFFFAOYSA-N 376.424 1.282 0 50 GDAA Cc1nccn1-c1ccc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 20857817 HLCHHGJWGPBWPK-UHFFFAOYSA-N 378.436 1.976 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cnn(-c3ccccc3F)c1)CC2 95388044 HOEDZFZWURJXIC-HNNXBMFYSA-N 386.427 1.909 0 50 GDAA O=C(c1cnn2c1CCC2)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 294627379 RZCBXFWVUACCFB-GOSISDBHSA-N 394.523 1.899 0 50 GDAA COCCN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 426489507 GQQVKVXYOPRPMB-INIZCTEOSA-N 387.488 1.285 0 50 GDAA CN1CCC(Cc2nc(-c3ccncc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 91986220 WFFAGPAGIFOGHH-INIZCTEOSA-N 375.498 1.584 0 50 GDAA O=C(O)[C@@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 299748788 IEDPMPRVASEMHY-SNVBAGLBSA-N 394.225 1.482 0 50 GDAA CCCNC(=O)c1ccc(NC(=O)NCCS(=O)(=O)NC)cc1Cl 275792497 CYKZTHRJHWAEHD-UHFFFAOYSA-N 376.866 1.151 0 50 GDAA O=C(Cc1cccc(O)c1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 299754879 BCGXNJHWQJBTEQ-UHFFFAOYSA-N 381.498 1.200 0 50 GDAA C[C@H](CCn1cccn1)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67694656 FTSDUTVAABCGGT-SNVBAGLBSA-N 384.483 1.046 0 50 GDAA CN(C)S(=O)(=O)N1CCOC2(CCN(CCCc3ccccc3)CC2)C1 823724786 MFBYXNZWYOAERL-UHFFFAOYSA-N 381.542 1.592 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)N2CCc3c([nH]c4ccccc34)C2)C1 584895142 WWDQZPQPVMOGPC-CQSZACIVSA-N 390.509 1.907 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCCOC3)CC2)cc1 584885797 USOQGOYPVSCACB-HNNXBMFYSA-N 382.482 1.345 0 50 GDAA CNC(=O)c1ccc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)o1 584889951 DZIYILVHHXWCLL-UHFFFAOYSA-N 377.832 1.719 0 50 GDAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1)c1cc(C2CC2)no1 952872207 KQQZINZJNILCBB-CYBMUJFWSA-N 390.465 1.778 0 50 GDAA Cc1ccccc1-n1cc(CN(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cn1 952987877 HDFSWRKIVYOQLA-OAHLLOKOSA-N 383.495 1.129 0 50 GDAA Cn1nc(C(=O)NC[C@H]2CCCN(c3nc(C(N)=O)cs3)C2)c2ccccc21 952985991 VKZCCAOJEGKWOL-GFCCVEGCSA-N 398.492 1.775 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)c(=O)n1C 278204954 GOACKJYGFWBKGH-UHFFFAOYSA-N 390.461 1.749 0 50 GDAA O=C(Cc1nc2ncccn2n1)N1CCCN(C(=O)c2ccccc2F)CC1 193542569 NCKNYOPJVYPHEX-UHFFFAOYSA-N 382.399 1.181 0 50 GDAA CCN1CCN(CC(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1529162049 SQLGDGZAVFBDOA-WIYYLYMNSA-N 382.508 1.234 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C[C@@H]2O)n[nH]1 1704355406 MVNCZNKYPABZIA-PXAZEXFGSA-N 387.415 1.312 0 50 GDAA C1CCC(Nc2nc3nonc3nc2N2CCC[C@@H](CN3CCOCC3)C2)C1 19226729 BBJLVCWCRDCXNC-AWEZNQCLSA-N 387.488 1.916 0 50 GDAA COCCn1c(CN2CCN(C)[C@@H](C)C2)cnc1S(=O)(=O)CC(C)(C)C 19741074 DKWUMIRHPFKFNW-HNNXBMFYSA-N 386.562 1.485 0 50 GDAA CC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COC(C)C)CC2)cc1 19938335 ROIUXTZPUPEDFK-VQTJNVASSA-N 394.512 1.032 0 50 GDAA c1ccc(NCCc2nnc3n2C[C@]2(CCN(Cc4cc[nH]n4)C2)OC3)cc1 1857681286 HGEYLPRYRDFUCA-HXUWFJFHSA-N 379.468 1.831 0 50 GDAA Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCc2nnc(C)s2)cc(C)n1 1857688260 ZKJQNVPZKPATKE-IRXDYDNUSA-N 399.520 1.845 0 50 GDAA O=C(c1cncc(F)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857720905 PTKFKLYDJFDFOL-OALUTQOASA-N 386.427 1.530 0 50 GDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC([C@@H](O)CN4CCCC4)CC3)c12 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1.513 0 50 GDAA NC(=O)C1(NC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)CCCCC1 1772811192 RGGCGRFERYQNLW-CYBMUJFWSA-N 392.525 1.389 0 50 GDAA Cc1cc(CC(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccncc2)CO3)on1 1772814105 KILPDZLIFNZZIR-LJQANCHMSA-N 380.408 1.381 0 50 GDAA COCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)C1CCCCCC1 12434418 VBEWTKOMRRHROF-INIZCTEOSA-N 399.557 1.983 0 50 GDAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2nccn2C)C1 14741027 NMTSREXSJLIWIR-QZTJIDSGSA-N 377.533 1.107 0 50 GDAA COc1ccc(CNC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1 206248397 VTVPOJVEHPSZCS-GOSISDBHSA-N 381.432 1.865 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(C)c1 4839495 ATSCFNFYBOASMB-KRWDZBQOSA-N 380.510 1.871 0 50 GDAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6728755 GIHFAEBMOQRUQI-QWHCGFSZSA-N 386.495 1.472 0 50 GDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCc2nccn2Cc2ccccc2)n1 1857686697 CKAWMDATSWCUJU-IBGZPJMESA-N 381.484 1.804 0 50 GDAA COc1ccc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCn1cncn1 1857690980 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1.459 0 50 GDAA CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccc4c(c3)CNCC4)CC2)C1 1875266452 SJZQXMPCNBPSEB-OAQYLSRUSA-N 386.540 1.199 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nc4c(n3C)CCCC4)C2)n1 1875397037 ISURRDQOTDEQKD-OAHLLOKOSA-N 397.527 1.434 0 50 GDAA NS(=O)(=O)c1cc(C(F)(F)F)ccc1N1CCC[C@H](n2ccnn2)C1 1875392137 GMACTDXLVGDGBC-NSHDSACASA-N 375.376 1.786 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(c3ncc4ccccc4n3)CC1)OC2 1775962024 OHMSXPURNGCNLA-UHFFFAOYSA-N 378.436 1.755 0 50 GDAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)o1 1775959297 UEOLXYQCZYDWNI-NUEKZKHPSA-N 390.484 1.838 0 50 GDAA COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2O)cc1 39009679 CZPFTCBIXZWFIZ-LTFPLMDUSA-N 376.405 1.098 0 50 GDAA in-vitro C[C@](CO)(NCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 2325733080 PWJLFAPFEZSYED-FYYLOGMGSA-N 397.519 1.501 0 50 GDAA CO[C@H](C)CC(=O)N1CCOC2(CCS(=O)(=NC(=O)c3ccoc3)CC2)C1 2325784940 VODQESAGYJVXKU-BLDFOCACSA-N 398.481 1.704 0 50 GDAA CS(=O)(=O)C[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 2325791414 WIZGANQAFVHNLN-UPJWGTAASA-N 384.885 1.632 0 50 GDAA N=c1nc(C2CC2)nc(N2CCN(c3cc(Br)ncn3)CC2)[nH]1 2325802695 VHWQAUVDJXWXOY-UHFFFAOYSA-N 377.250 1.041 0 50 GDAA CC(C)c1csc(CCN=c2ccc(C(=O)N(C)C[C@H]3CCNC3)n[nH]2)n1 2325809129 IRCNKEZWIDRHSG-AWEZNQCLSA-N 388.541 1.815 0 50 GDAA Cc1noc(CCC(=O)N2CC(CNC(=O)c3cc(C)c(F)cc3F)C2)n1 2325864852 BHTCRBJYHWGIPW-UHFFFAOYSA-N 378.379 1.786 0 50 GDAA C[C@H]1CCCN(C(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325893092 JCKRCHLKBKGFAD-SUMWQHHRSA-N 398.463 1.118 0 50 GDAA CC(C)(C(=O)N[C@@H]1CC2(CN(C[C@@H]3CCCOC3)C2)n2ccnc21)c1cnc[nH]1 2332238003 UKFBTMSKNICGFS-JKSUJKDBSA-N 398.511 1.583 0 50 GDAA Cc1nccc(C(=O)N2CC3(C[C@H](NC(=O)C[C@H]4C=CCC4)c4nccn43)C2)n1 2332238123 ZVDUPAFRUPRJTO-RDJZCZTQSA-N 392.463 1.750 0 50 GDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cccc(OC)c2)C1=O 2356148859 WVQMSMNOZVWNPR-SFHVURJKSA-N 382.482 1.487 0 50 GDAA O=C1CCN(c2ccccc2C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)C(=O)N1 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COc1ccccc1N1CCN(CC(=O)Nc2ncc3c(n2)CCCC3=O)CC1 35771241 GGXYKWJMNCATAA-UHFFFAOYSA-N 395.463 1.765 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1 238063180 BYSMDYQOPHLHES-UHFFFAOYSA-N 379.416 1.975 0 50 GDAA COc1nc2c(cc1CNC(=O)C(C)(C)NC(C)=O)C(=O)N(C1CCCC1)C2 71765182 SJBOYEAZENQTEU-UHFFFAOYSA-N 388.468 1.520 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CCN1 71735643 WBVQCZJJLNFIAU-MRXNPFEDSA-N 378.388 1.902 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(N2CCc3ccccc3C2)CC1 426734000 KYVGGWUQABDKAM-QGZVFWFLSA-N 377.510 1.406 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 288315907 WMYJFSBMJLUTAF-SFHVURJKSA-N 392.525 1.452 0 50 GDAA C[C@@H](CCn1cccn1)NC(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 96149119 QIFRDKBKDJKFRZ-INIZCTEOSA-N 384.484 1.871 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnc3ccccc31)C2 95382455 HFGWJOSQIMOTKV-LSDHHAIUSA-N 376.482 1.309 0 50 GDAA Nc1cc(-c2ccc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)cc2)ncn1 426635634 WYXCCWXGGZPGIZ-MRXNPFEDSA-N 375.436 1.915 0 50 GDAA NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95383830 HERDHDLOEIHEFW-OAHLLOKOSA-N 379.482 1.388 0 50 GDAA CN1CC2(CCN(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)CC2)OCC1=O 426722349 CRFJGSOSRNFNAB-OAHLLOKOSA-N 377.489 1.331 0 50 GDAA CSc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1 95381945 KERVMCNPVRRNOO-ZDUSSCGKSA-N 384.479 1.153 0 50 GDAA Cc1c(CC(=O)NC[C@H](O)CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O 95520544 JJPQWSJNLCEXRX-INIZCTEOSA-N 388.439 1.515 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CN1Cc1ccccn1 91434335 URWAHCBIJMAHBN-INIZCTEOSA-N 380.448 1.335 0 50 GDAA O=C(N[C@H]1C[C@H](c2cc(O)ncn2)C1)c1nccnc1C(=O)N1CCCCC1 240662490 PLNIPRJFLIBWGT-JOCQHMNTSA-N 382.424 1.274 0 50 GDAA COc1cc(C)c(S(=O)(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1C 244774087 PNQLCAKUIIANLU-QIIPPGSGSA-N 379.482 1.836 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 253388872 CXQKCMGAIZFUAQ-UWVPOSKDSA-N 375.377 1.363 0 50 GDAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C(=O)O)c1 299750056 MOAKMNDZHUBMRI-ZWKOTPCHSA-N 395.459 1.798 0 50 GDAA Cc1nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)nc2c1CCCC2 1940198100 NHOWSMYWJOFKBU-RTWAWAEBSA-N 394.475 1.579 0 50 GDAA CN(C(=O)CCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)C1CCCCC1 299761495 SPMRXFJTJZKQFT-DLBZAZTESA-N 375.473 1.522 0 50 GDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCC[C@@H](O)C1 299786079 VVZHZZKFDQDJAE-OAHLLOKOSA-N 387.436 1.777 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)CN1Cc1ccncc1 827763841 QLMCCVAXUTYNQG-OAQYLSRUSA-N 392.503 1.817 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 952984048 UAZUTZULCZEUMQ-AWEZNQCLSA-N 386.518 1.976 0 50 GDAA COC(=O)C[C@@H](c1cccnc1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888090850 XPVAMLSCVBHYFL-INIZCTEOSA-N 382.420 1.918 0 50 GDAA Cc1nc(S(=O)(=O)NC[C@@H]2CCc3nccn3C2)sc1Br 275207446 AMMGFWQVEXQKKI-VIFPVBQESA-N 391.316 1.951 0 50 GDAA Cc1cc(N2CCN(S(=O)(=O)c3cccc4c3OC(C)(C)C4)CC2)n[nH]1 192651700 SXRHIVRDBXDEAJ-UHFFFAOYSA-N 376.482 1.943 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 735479937 FJZAHJFLKQRMTN-UHFFFAOYSA-N 392.459 1.550 0 50 GDAA Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c(N2CCCC2)nn1C 1506416531 BZPDMTJVPLOKDD-HNNXBMFYSA-N 382.468 1.711 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCNC(C)=O)CC1)OCC2 1704338470 BSFUMKQBZJAMGT-UHFFFAOYSA-N 376.453 1.620 0 50 GDAA O=C(CCc1cc(Cl)no1)N1C[C@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772806459 ACISUFJKUGGDJE-SJKOYZFVSA-N 396.900 1.670 0 50 GDAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@@H]4COC[C@]4(C(=O)O)C3)n2)c1 1775977839 MRVDIVUKYRXWNT-FOIQADDNSA-N 385.420 1.927 0 50 GDAA C[C@@H](CCN(C)CCn1cc(C(=O)N2CCN(C)CC2)nn1)c1ccccc1 11910124 JXCZEBQQPIBBDH-SFHVURJKSA-N 384.528 1.791 0 50 GDAA COc1cc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)ccc1C 12387150 KZGFIJHHWNAKJP-UHFFFAOYSA-N 382.464 1.997 0 50 GDAA Cc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 14748255 YENYIHIBGNTVOF-ACRUOGEOSA-N 393.487 1.769 0 50 GDAA O=C(NCc1nnc2n1CCC2)c1coc(CN2CCc3ccccc3C2)n1 15066270 UKIXQYNHXBZROP-UHFFFAOYSA-N 378.436 1.701 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)N3CCCC3)C2=O)cc1OC 206255611 QYIRZPABVURPLC-CQSZACIVSA-N 375.425 1.527 0 50 GDAA NC(=O)c1cccc(C(=O)NC[C@@]23CCC[C@@H]2CN(C(=O)c2cnsn2)C3)c1 1857527062 RQIAEGWYDQLVGJ-AUUYWEPGSA-N 399.476 1.309 0 50 GDAA Cc1nc2ccc(Cc3nc(CC(N)=O)nn3-c3ccc4c(c3)OCO4)cc2[nH]1 1857674275 AQVIHKJZWRBMCX-UHFFFAOYSA-N 390.403 1.799 0 50 GDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NC[C@@H]3CCOC3)sc12 1857683378 RKTCCRXRROUDLU-ZDUSSCGKSA-N 394.493 1.463 0 50 GDAA CCCC(CCC)C(=O)NC[C@H]1[C@H]2CN(CCC(=O)NC)C[C@]23CC[C@H]1O3 1857713044 AWMDUCOCBPMUMD-XKGFGPFHSA-N 379.545 1.935 0 50 GDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)cc2n1 1857714322 PYCKUQLNTSFCSZ-WXHSDQCUSA-N 384.358 1.668 0 50 GDAA CCCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnn(CC)c3)[C@H]3CC[C@]2(C1)O3 1857718610 MRYSLIAEKJQOFM-TVKQPGBESA-N 389.500 1.622 0 50 GDAA Cc1nc[nH]c1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857719213 HCEHOYGQLDQWDD-UHFFFAOYSA-N 398.467 1.171 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCCn3cnc(C)c3C)CC2=O)s1 1857722986 SKTVAKHAGPFSGM-CYBMUJFWSA-N 376.486 1.473 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)CC[C@H]1O)c1ccncc1 1875243432 GYMBGPZVEGQYDT-QXAKKESOSA-N 383.448 1.536 0 50 GDAA N=c1nc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)cc(NCCO)[nH]1 1875247172 SCBWJPUYNAKXMM-FQEVSTJZSA-N 397.483 1.151 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCCn2cccn2)C1)c1ccc[nH]1 1875248047 XLYZROLXTVTYPE-JXFKEZNVSA-N 384.484 1.145 0 50 GDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O 1875248144 ZEEDKBRFTJFPGH-UHFFFAOYSA-N 380.452 1.407 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)c1nnn(C3CCNCC3)c1C)CC2 237478091 ZPKJNRMBODHUAI-UHFFFAOYSA-N 385.468 1.727 0 50 GDAA NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 238019766 GKQQLYNPBLYKBK-ONGXEEELSA-N 391.287 1.626 0 50 GDAA CC(C)(C(=O)N1CC[C@H](N)C1)S(=O)(=O)c1ccc(Br)cc1 132629310 YZIKKLUHQCCUPJ-NSHDSACASA-N 375.288 1.561 0 50 GDAA CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[C@]12CCCC[C@H]1CC(=O)O2 916835801 DJHPDAJOVWTKEJ-KPZWWZAWSA-N 394.449 1.721 0 50 GDAA CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@](C)(C(F)F)C2)C1=O 888101618 IWJYOFZXURXSSC-PXAZEXFGSA-N 385.415 1.464 0 50 GDAA CCCS(=O)(=O)N[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)cc2)C[C@H]1OC 2100554911 HIKKGYQVQHTCHU-CGTJXYLNSA-N 398.525 1.564 0 50 GDAA CN1CCN(c2nccc(CNC(=O)c3cc(O)nc4ccc(F)cc34)n2)CC1 2325742085 GXWBSNSSCZWGJB-UHFFFAOYSA-N 396.426 1.551 0 50 GDAA Cn1c(S(=O)(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)cnc1Cl 2325756463 SKGOJMXQLZAJJE-OLZOCXBDSA-N 388.921 1.923 0 50 GDAA CN(C(=O)c1ccc(-c2cc(F)cc(Cn3ccnc3)c2)nn1)[C@H]1CCNC1 2325796691 DKJUGBORCJATSC-KRWDZBQOSA-N 380.427 1.961 0 50 GDAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N3Cc4nccn4C[C@H](CO)C3)n2)c1 2325803469 IOFUGRARVHBHBO-ZDUSSCGKSA-N 385.399 1.486 0 50 GDAA CC1CCN(CC(=O)N[C@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@@H]2C)CC1 2325808702 YRXRHXAAVQYEHZ-KXBFYZLASA-N 383.496 1.872 0 50 GDAA Nc1cncc(-c2cccc(C(=O)N3CCCN(c4ncccn4)CC3)c2)n1 2356135270 WSPXTSVXYFJOMY-UHFFFAOYSA-N 375.436 1.868 0 50 GDAA CN(Cc1ccc(F)cc1)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)CO)C[C@H]2O 2356152455 KFRPCNHTCMZSND-OHUMZHCVSA-N 398.478 1.853 0 50 GDAA CCC[C@]1(C(=O)O)CCN(Cc2cnc(=NCc3ccccc3)[nH]c2)C[C@@H]1O 2356154477 XMUDXMRTLOIKKV-RXVVDRJESA-N 384.480 1.948 0 50 GDAA O=C(c1c(O)cccc1O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166761 MOCKYHJFEDZUJK-GXZWQRSESA-N 388.464 1.999 0 50 GDAA CCOc1ccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@H]2CCO)cc1 106703129 PBXLDTBHFDDALJ-OAQYLSRUSA-N 389.540 1.965 0 50 GDAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCC1CN(S(C)(=O)=O)C1)C2 420837541 QDUUMCOMOJNFFI-UHFFFAOYSA-N 397.497 1.269 0 50 GDAA COCCn1nnc2ccc(NC(=O)NCc3ccc4c(c3)OCO4)cc2c1=O 409414471 RHESWUNDWIYFLP-UHFFFAOYSA-N 397.391 1.488 0 50 GDAA CCSc1nnc(NC(=O)COC(=O)[C@@H](CCSC)NC(C)=O)s1 22023112 SZIVWYMQWHTYPM-SECBINFHSA-N 392.528 1.390 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1=O 229904529 VJUPQZXYOGCUGH-YRGRVCCFSA-N 393.871 1.862 0 50 GDAA COc1cccc(CN2CC3(CCN(C(=O)N4CCOCC4)CC3)CC2=O)c1 77423930 DBOJGTDEZTVKFY-UHFFFAOYSA-N 387.480 1.962 0 50 GDAA CNC(=O)CCN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71746110 PDVLGVTWWXKKFD-GOSISDBHSA-N 387.528 1.010 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 328645689 SHUUPVDXUXKZEO-LPHOPBHVSA-N 399.499 1.679 0 50 GDAA CCn1ccnc1CN(C(=O)COCc1nc(C)no1)[C@@H]1CC12CCNCC2 435555743 IHQWDOCOCGPAHT-OAHLLOKOSA-N 388.472 1.282 0 50 GDAA O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H](Cc1ccccc1)n1cnnn1 125460418 VVQWPZFMDYKAGE-KRWDZBQOSA-N 394.435 1.471 0 50 GDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77523238 ULRHQSOOCSFDCT-BOSXTWCSSA-N 380.404 1.010 0 50 GDAA COCCNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 77397548 BKVKNZKVWRRLHJ-OAQYLSRUSA-N 395.503 1.772 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nnc(C4CC4)o3)CC2)C1 71661669 VYXCJXCZHMODBI-MRXNPFEDSA-N 391.516 1.386 0 50 GDAA Cc1cc(CN2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)no1 131099152 LCOUIRMIYIHMAY-UHFFFAOYSA-N 381.436 1.346 0 50 GDAA Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C(=O)O 237705961 VFYDFUHMHHVXMQ-HNNXBMFYSA-N 381.454 1.822 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 284968185 WUMRZODYIAEZNL-QZTJIDSGSA-N 393.509 1.361 0 50 GDAA C[C@@H](O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O 77298952 RDCNLUAXEXXUMJ-MRXNPFEDSA-N 380.448 1.452 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)c3nn(C)c4c3CCCC4)CC2)cc1 82106808 UYHYXNWFHFDMOF-UHFFFAOYSA-N 382.464 1.906 0 50 GDAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccccc1-n1cnnc1 426504442 FYYHEKBERMNDAI-LJQANCHMSA-N 378.436 1.466 0 50 GDAA CN(C)C(=O)c1ccc(-c2cccc(C(=O)NCCCn3ccnn3)c2)nc1 426606806 VINICAWJXDEXMH-UHFFFAOYSA-N 378.436 1.862 0 50 GDAA CN1CCN(CCNC(=O)N2CCC[C@@H](COc3ccccc3F)C2)CC1 426443478 WMALIUUJCPWSBJ-QGZVFWFLSA-N 378.492 1.874 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)CC1 97347282 WWJFMKHGVOBNQE-QGZVFWFLSA-N 392.500 1.068 0 50 GDAA O=C(CC[C@@H]1CCCN(C(=O)CCO)C1)N1CCN(Cc2ccccc2)CC1 95506422 JPUHFGFPSWZSHB-FQEVSTJZSA-N 387.524 1.732 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)CN1Cc1ccncc1 95377154 FDDJKRRKWPALOM-LJQANCHMSA-N 386.496 1.001 0 50 GDAA Cc1cc(CC(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1 96166537 SVRLIDVWVIZHBS-UHFFFAOYSA-N 383.456 1.613 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2cccc(S(N)(=O)=O)c2)on1 96132309 MBSCXIFHRBPLSK-ABAIWWIYSA-N 380.426 1.010 0 50 GDAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)C1 95376729 CINBUEBTIWECCN-MRXNPFEDSA-N 393.919 1.773 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2 95367119 FPCDJQAUKBUYSW-GFCCVEGCSA-N 377.420 1.118 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCCn1ccnc1)CC2 92028857 ADYTYAFREHOSSE-UHFFFAOYSA-N 384.484 1.699 0 50 GDAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cnc(C)s2)cc1 298964126 YFVGBSNBWMLWGD-UHFFFAOYSA-N 381.479 1.591 0 50 GDAA O=C(NCCc1nccs1)c1cn2c(n1)CCN(Cc1cccnc1)CC2 1940193398 QAZYJAWNMBEHMU-UHFFFAOYSA-N 382.493 1.765 0 50 GDAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 828925145 BYSRMLLNADSTNB-AWEZNQCLSA-N 392.419 1.284 0 50 GDAA CCNC(=O)N1CCC(NC(=O)N(CC)C[C@H](O)c2cccc(O)c2)CC1 584901028 ASLYKZSLQUTWBQ-KRWDZBQOSA-N 378.473 1.651 0 50 GDAA Nc1nc(CNC(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)cs1 670446942 CXQFOSZBNNDHNG-UHFFFAOYSA-N 398.444 1.758 0 50 GDAA COc1cc2c(cc1CNC(=O)[C@@H]1CC(=O)N(Cc3cccnc3)C1)OCCO2 952988974 FPCUBYYWQZZXHH-MRXNPFEDSA-N 397.431 1.526 0 50 GDAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 275521021 DXQLMKQRIYUCCF-XYJFISCASA-N 385.468 1.639 0 50 GDAA Cn1cc(N2CCC[C@@H](NS(=O)(=O)CCc3ccc4c(c3)CCO4)C2)cn1 189436551 MPKBRBZCIRWXNG-QGZVFWFLSA-N 390.509 1.486 0 50 GDAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C1CCOCC1 788408480 FKOOHZQWLRKEBN-NSHDSACASA-N 391.873 1.985 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CSc1ccccn1 1529184603 BNDYCABJLAENES-CYBMUJFWSA-N 380.495 1.985 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2ccsc2n1 1529153840 VYXXXIVJINKELK-NSHDSACASA-N 379.467 1.821 0 50 GDAA COC(=O)COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1125391 HTZPKEVMGUVPDQ-UHFFFAOYSA-N 378.406 1.998 0 50 GDAA Cc1ccccc1-n1cc(CNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)cn1 11945532 GLVCNGJKBPQBJK-FQEVSTJZSA-N 395.507 1.930 0 50 GDAA Cc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1 19866244 UOLJGKAIIIRJAB-NRFANRHFSA-N 392.503 1.407 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1 2879257 NRHAMGXGFIFUKF-UHFFFAOYSA-N 390.461 1.403 0 50 GDAA O=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccccn1 4867516 ZNAILLAEPLLHJS-UHFFFAOYSA-N 378.226 1.769 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccnc2)cc1Cl 4413991 NDQOWKFVCGHBFB-LLVKDONJSA-N 383.857 1.727 0 50 GDAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(Cc4ccccn4)CC(=O)N23)cc1 1857685469 KKSUBEXEHITOPC-YVWKXTFCSA-N 380.448 1.350 0 50 GDAA O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1nccs1)CC[C@H]2O 1857685571 YEHDJAJVQHGHFA-APWZRJJASA-N 378.542 1.809 0 50 GDAA CCc1nccn1CCC(=O)N[C@@H]1CCCC12CCN(C(=O)CN(C)C)CC2 1857700479 CTXQHYHKPOBXAD-QGZVFWFLSA-N 389.544 1.675 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4cccc(C(=O)O)c4)[C@@H]2CC(=O)N13 1857714867 PWYOQJNULVEJSU-DAYGRLMNSA-N 394.449 1.131 0 50 GDAA CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccccc3n(C)c2=O)[C@@H](OC)C1 1857738834 AQCJEGNTEBMIQR-IEZWGBDMSA-N 399.491 1.930 0 50 GDAA Cc1cc2cccc(C(=O)N[C@@H]3C[C@@H](C(=O)NCc4nc[nH]n4)CC[C@H]3O)c2o1 1875242394 QENLOXRGUOCISR-NUEKZKHPSA-N 397.435 1.435 0 50 GDAA CCCNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C2 1875248819 PYYGUEBHNSFNBA-UWJYYQICSA-N 389.544 1.609 0 50 GDAA COc1ccc(C(=O)NCCN2CCN([C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1 252477106 IHVYHUJNCVBIOA-VAMGGRTRSA-N 387.524 1.856 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)co1 156331981 UGQKVVZKLAINJS-LBPRGKRZSA-N 398.872 1.587 0 50 GDAA O=C(Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1)[C@H]1CCCS(=O)(=O)C1 1875299659 RDEYMKIFYJXAJO-ZDUSSCGKSA-N 396.415 1.938 0 50 GDAA CCn1cc(Cl)cc1C(=O)NCC12CC(C(=O)NC)(C1)C1(CCNCC1)O2 1875393611 QJACFALBVGJWDP-UHFFFAOYSA-N 394.903 1.309 0 50 GDAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCN2[C@@H](CCS2(=O)=O)C1 1875322881 LQBSKIBGPRBHOP-HNNXBMFYSA-N 397.460 1.280 0 50 GDAA COC(=O)c1cnc(N(C)C[C@@H]2CCN(C(=O)c3ccc(C)c(C)n3)C2)nc1 1875302303 JYOHWZDEUOQJDI-HNNXBMFYSA-N 383.452 1.874 0 50 GDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cn(CC(C)C)nc1C(F)F 888101825 HTHAMVPRSOHGIT-QWRGUYRKSA-N 380.417 1.410 0 50 GDAA Cn1[nH]c(C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)nc1=O 2100542688 DYQGZRMLIDIUKK-UHFFFAOYSA-N 393.382 1.630 0 50 GDAA NCc1ocnc1C(=O)NS(=O)(=O)c1cc(Cl)cc(Br)c1 2325852223 WTKLESVYTIAIMQ-UHFFFAOYSA-N 394.634 1.668 0 50 GDAA CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10329309 JIEIVKKYXGHYEQ-UHFFFAOYSA-N 396.513 1.282 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1C(=O)N1CCOCC1 10541666 UIJLDGYWPQLMPC-AWEZNQCLSA-N 382.482 1.588 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)n1 67601829 GHCVGHWYROWOQC-UHFFFAOYSA-N 380.452 1.884 0 50 GDAA CN1CCN(c2cccc(N3CCC(N[C@@H]4C=CS(=O)(=O)C4)CC3)c2)C1=O 20859806 HSJUCSOTUQXHJW-MRXNPFEDSA-N 390.509 1.428 0 50 GDAA COc1ccc(C(=O)[C@H]2CCCN(c3cc(NCCO)ncn3)C2)cc1OC 71745498 ZCGVFPXUSSFQTG-HNNXBMFYSA-N 386.452 1.997 0 50 GDAA Cc1nccn1CCCN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 153719686 ADXBKKBAMCELBO-UHFFFAOYSA-N 376.482 1.894 0 50 GDAA Cn1c(=O)cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)c2ccccc21 216414758 YPISLCQZMMTKSD-IBGZPJMESA-N 375.428 1.722 0 50 GDAA Cc1cccc(OCC(=O)N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1C 77421039 CLXQJCUGQZKKTJ-SJLPKXTDSA-N 383.448 1.469 0 50 GDAA Cc1nc(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cs1 219145065 HDZGOQUGOUZDTD-HZPDHXFCSA-N 375.450 1.446 0 50 GDAA CCc1nc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c2cnn(C)c2n1 72157300 GQVDNWZWQCOMHE-UHFFFAOYSA-N 380.452 1.897 0 50 GDAA COc1nc2c(cc1CNC(=O)Cn1ccc(C)n1)C(=O)N(C1CCCC1)C2 71751586 HXDURCPSTCGUBT-UHFFFAOYSA-N 383.452 1.810 0 50 GDAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)NC[C@H]1CCCO1 77459693 FTHVAKXCCCNSQL-OAHLLOKOSA-N 378.860 1.935 0 50 GDAA COc1c(F)cccc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 220275048 FPIPQQXNVWUYMJ-KRWDZBQOSA-N 376.432 1.558 0 50 GDAA CCN1C(=O)[C@@H]2[C@H]3O[C@H]([C@H]2C1=O)[C@@H]1ON=C(c2ccc(Br)cc2)[C@@H]31 240786053 HZWCRAJDTXSOOD-GPOOSLAASA-N 391.221 1.570 0 50 GDAA COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3ccsc3)C2=O)c1 286063522 RXAQNEQIZVKQBA-OAHLLOKOSA-N 382.463 1.849 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccc(-c3cccc(N)n3)c2)C1 426369241 NQVIHEAFRFQYSH-AWEZNQCLSA-N 388.493 1.732 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)COc3cccc(F)c3)cc2C1 82121454 NLADCPXYBFKCRJ-UHFFFAOYSA-N 375.404 1.215 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)n1 19773562 VVNSMLYQECQCMX-AHKGRUIUSA-N 381.480 1.580 0 50 GDAA NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cccc(-c3ncccc3N)c2)C1 426395945 LRHFONWCDCVIPX-QGZVFWFLSA-N 381.480 1.648 0 50 GDAA CCOC(C(=O)N1CCNC(=O)[C@@H]1CCO)(c1ccccc1)c1ccccc1 426623070 SMFSEWJBOFMSKU-IBGZPJMESA-N 382.460 1.676 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2c[nH]cn2)c1)N1CCCCCC1 95386553 INHXJWDSDNJDCJ-UHFFFAOYSA-N 376.482 1.947 0 50 GDAA Cn1cnc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccccc4)C3)ccc2c1=O 91877047 JRXDBSXAHATXFX-DLBZAZTESA-N 377.400 1.874 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccs2)CN1C(=O)C(C)C 96137032 JBBCWHQFBNGDIZ-ZBFHGGJFSA-N 379.526 1.901 0 50 GDAA Nc1nc2c(c(C(=O)N3CC[C@@]4(CCCN(CC5CC5)C4=O)C3)n1)CCCC2 91547348 RHWIJKPIDRTBHY-NRFANRHFSA-N 383.496 1.802 0 50 GDAA COc1ccc2c(c1)c(C(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1)c(C)n2C 92020460 ITTLHQNTRLBPLR-HZPDHXFCSA-N 389.496 1.100 0 50 GDAA Cc1ncc(CN2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)cn1 426669151 REUJHLOEIHDKNK-QGZVFWFLSA-N 385.516 1.250 0 50 GDAA COc1cccc2c1OC[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C2 95506768 KDAHYGJXXMLPCR-NSHDSACASA-N 394.424 1.463 0 50 GDAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 95522114 BSTQJVDKDWRCIN-MRXNPFEDSA-N 383.452 1.975 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(=O)[nH]c3ccccc13)CC2 91603026 HYTJSENJPGEBLJ-UHFFFAOYSA-N 377.448 1.871 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(Cl)s2)C[C@]12CCNC(=O)CC2 91649672 HQASKSGJIITVEG-AWEZNQCLSA-N 377.919 1.377 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)CN2CCN(c3ncccn3)CC2)C1 95362005 MBCJZUSNHWRAHZ-KRWDZBQOSA-N 394.479 1.115 0 50 GDAA Cn1nc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)ccc1=O 92037302 SNHDQINXQWDTJI-UHFFFAOYSA-N 378.436 1.440 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 299742156 HZNWRXNDUVPBPW-LLVKDONJSA-N 379.356 1.498 0 50 GDAA O=C(C1CC1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263618575 UKKKNLKDPBAHEG-LJQANCHMSA-N 385.443 1.743 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCCO2 266337939 LNKBKBROEIJBCL-CQSZACIVSA-N 391.449 1.883 0 50 GDAA Cc1sc2nc(CCNC(=O)NC[C@H]3CCS(=O)(=O)C3)nc(O)c2c1C 828023219 XAMRZLKCQTXLDH-LLVKDONJSA-N 398.510 1.290 0 50 GDAA Cc1ccc(NC(=O)CCNS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c(C)c1 670454805 MNOLTRBOMJXEDP-CQSZACIVSA-N 383.470 1.263 0 50 GDAA O=C1N[C@H]2CNC[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952858198 YKWCDWLHPUFBFM-HOCLYGCPSA-N 377.832 1.001 0 50 GDAA CC(C)c1ncc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c(O)n1 1565526397 VUIQDAZURPVSFE-KBPBESRZSA-N 378.454 1.866 0 50 GDAA Cc1cc(NC(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)ccn1 276015227 QHWZDFBXROUCOV-MRXNPFEDSA-N 385.472 1.690 0 50 GDAA O=C1NC[C@H]2[C@H]1CCCN2C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 170609913 OWOKKVDIBSQTPL-MOPGFXCFSA-N 383.492 1.595 0 50 GDAA Cc1cc(C)c(N2CC[C@H](Nc3cnn(CC(=O)NCCO)c3)C2=O)c(C)c1 190986952 UKBLJFYCUVDNIR-KRWDZBQOSA-N 385.468 1.134 0 50 GDAA CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccccc2)s1 193343764 KXWBAWDHDHQPEA-AWEZNQCLSA-N 392.502 1.790 0 50 GDAA CO[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1Cc1cc(C)no1 1529151861 NRMQOIMWPAIBEV-KDOFPFPSSA-N 382.420 1.409 0 50 GDAA CCc1cc(N2CCN(c3nc(C)cnc3C)CC2)nc(N2CCOCC2)n1 1704297200 JNPOEPHNGKXTJA-UHFFFAOYSA-N 383.500 1.609 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C1(c2ccccc2)CCCCC1 1704305519 RKYORZIFWQKLRS-FUHWJXTLSA-N 394.537 1.911 0 50 GDAA CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC(=O)O)cc1 3132764 HINITUIFBAJLRA-AQTBWJFISA-N 396.399 1.974 0 50 GDAA CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772805098 YVJGFMRSMOSGCT-CYBMUJFWSA-N 394.522 1.318 0 50 GDAA CCN1CCN(CCOc2ccc(CN3CCOC[C@@H](C(=O)O)C3)cc2)CC1 1772804565 RBKLITQIKQHTJP-IBGZPJMESA-N 391.512 1.236 0 50 GDAA COC(=O)CCC(=O)N1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1 12590785 MFILOISCZIUFFA-CQSZACIVSA-N 392.452 1.625 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCC(C)(C)CO)c2)CC1 19635379 DWSNUKVYLFDUCM-LJQANCHMSA-N 379.545 1.172 0 50 GDAA CC(C)CCNC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169755615 GQLWJCHFWWILHA-UHFFFAOYSA-N 386.427 1.957 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCc3[nH]nc4ncccc34)CC2=O)s1 1857715478 UBYNXXFVCWQYAU-JTQLQIEISA-N 385.453 1.431 0 50 GDAA COCCn1nnc([C@@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)CCO2)n1 1857716078 VPLSVFUFGMVUBI-KRWDZBQOSA-N 391.859 1.822 0 50 GDAA CCOc1cccc(CN(CCO)C(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)c1 933530489 JGNJNQCPBUDIQN-NNDYNSRJSA-N 390.480 1.480 0 50 GDAA C[C@@H](C(=O)N1CCC(C(=O)N2CCC[C@H]2C(N)=O)CC1)C1CCC(C)(O)CC1 1875263466 IEKXSKAKRFEMPM-ZFIHFTKLSA-N 393.528 1.279 0 50 GDAA O=C(NCc1sccc1Br)N1CCc2c(O)nc(O)nc2C1 1875303635 GPOUYKOYOVKLLJ-UHFFFAOYSA-N 385.243 1.980 0 50 GDAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)[C@H]1CCC(=O)C1 1875302112 AFXUNJMDVFDQHU-CFVMTHIKSA-N 382.457 1.661 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2c[nH]nc2-c2ccccc2)ncn1 1875401939 WVBHALXFOSHGNP-QZTJIDSGSA-N 393.495 1.980 0 50 GDAA O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 886071834 BHRRWTFZQVYRLY-BRSBDYLESA-N 389.477 1.222 0 50 GDAA Cc1noc(C)c1CN1C[C@H](C(=O)N2CCC(O)CC2)[C@@H](C(F)(F)F)C1 888103057 CTPBNYLXRCFSLD-GJZGRUSLSA-N 375.391 1.885 0 50 GDAA CO[C@]1(CN)C[C@H](C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)C1 2325778605 GCUZVRHJLRTDLU-ZXGDFTESSA-N 375.513 1.666 0 50 GDAA Cc1cn(-c2ncccc2F)nc1NC(=O)CN1CCN(c2ccncc2)CC1 2325805142 SKPDHCUIWHFGHW-UHFFFAOYSA-N 395.442 1.871 0 50 GDAA CC1CCN(CC(=O)N[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@@H]2C)CC1 2325808701 YRXRHXAAVQYEHZ-HNAYVOBHSA-N 383.496 1.872 0 50 GDAA CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC2(CN(Cc3cnnn3CC)C2)n2ccnc21 2332237558 BEXWBIXTEWXSCX-PVAVHDDUSA-N 399.499 1.082 0 50 GDAA COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 2966992 DWAFLUQDVBHRHV-UHFFFAOYSA-N 378.450 1.653 0 50 GDAA C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 113949144 SFKMPYPBTGWYEM-HOTGVXAUSA-N 399.561 1.110 0 50 GDAA COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)c(OC)c1 55243478 JFZRYXADELLOCF-QGZVFWFLSA-N 387.436 1.304 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCc3sccc3C2)CN1CCCN1CCOCC1 20994315 ZECAAXIESSZCOD-QGZVFWFLSA-N 391.537 1.594 0 50 GDAA COc1ccccc1CNS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67588397 VRFAURHMIAGQKS-UHFFFAOYSA-N 382.463 1.579 0 50 GDAA COc1cccc(CCC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 328625670 KXHXBBZEIWZFCX-KRWDZBQOSA-N 377.466 1.360 0 50 GDAA Cc1nc(C2CCN(C(=O)[C@@H](C)n3cnc4ccccc4c3=O)CC2)cc(=O)[nH]1 32592952 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Cc1ccccc1S(=O)(=O)N1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72477775 HNTGYLNNFLYDTA-CVEARBPZSA-N 386.539 1.123 0 50 GDAA CCn1ccnc1CNC(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71771877 WBOBYDKMVCPFCD-KRWDZBQOSA-N 387.528 1.632 0 50 GDAA O=C(CCc1nc(-c2ccccn2)no1)N1CCC(CN2CCOCC2)CC1 127567964 GONAZKKEOHIYRJ-UHFFFAOYSA-N 385.468 1.635 0 50 GDAA C[C@](O)(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1 158701135 GUNUZJAHUZGUOX-NRFANRHFSA-N 383.496 1.343 0 50 GDAA CC(C)[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCN1Cc1ccc(F)cc1 71738638 XXFCSYREGQCKKD-QGZVFWFLSA-N 390.459 1.436 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCO1 262969490 LJYJBSQTROLKHA-QGZVFWFLSA-N 389.429 1.586 0 50 GDAA Cc1nc([C@@H]2COCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)no1 378607791 LQKYCGZOBQBLLQ-MSOLQXFVSA-N 398.463 1.759 0 50 GDAA CCc1nn2c(nnc3c(=O)n(NC(=O)COC)ccc32)c1-c1ccc(F)cc1 40391808 DYXDPBBKNZCLMS-UHFFFAOYSA-N 396.382 1.524 0 50 GDAA NCCOc1ccc(Cl)cc1C(=O)NC1CCN(c2cnccn2)CC1 426538383 OMIBRUFBALTRFE-UHFFFAOYSA-N 375.860 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COCCNC(=O)c1cn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1 12453913 MHLOCXDVCIZYQR-UHFFFAOYSA-N 391.859 1.785 0 50 GDAA CCN(C)c1nc(N(C)C)nc2c1CCC21CCN(C(=O)c2cn[nH]c2)CC1 1857682170 RBFJZZTZHDLENK-UHFFFAOYSA-N 383.500 1.842 0 50 GDAA O=C(c1ccc(O)cc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857724765 BVBJANHGAGRHTR-PMACEKPBSA-N 383.448 1.702 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3c4c(nc5onc(C)c35)CCC4)C[C@@H]2O)n[nH]1 1857725768 LWQWVAAXHNENNH-WBMJQRKESA-N 381.436 1.727 0 50 GDAA Cc1cnc(CN2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)[nH]1 1857729696 IAWCTZPYLMLZQJ-HXUWFJFHSA-N 384.484 1.530 0 50 GDAA COCC(=O)N1CCC([C@H](O)CN(C)Cc2nc(O)c3ccccc3n2)CC1 1857733099 VHPDDWAOSOBJEE-QGZVFWFLSA-N 388.468 1.013 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cn(C)c(C)n3)CC(=O)N2[C@H]1c1ccccc1 1857740083 HFOZWMHUBXNHJG-BJLQDIEVSA-N 382.464 1.676 0 50 GDAA Cn1cnc2cc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)ccc2c1=O 1875247918 URRXNRZHPBSPBI-OALUTQOASA-N 379.416 1.508 0 50 GDAA COCCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 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391.453 1.711 0 50 GDAA CNC(=O)C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 435942998 CKNRPBJXALSLTQ-HNNXBMFYSA-N 383.404 1.139 0 50 GDAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)[C@H]1c1cnn(C)c1 262180855 QSEPDHBDERPUPL-QIIPPGSGSA-N 376.457 1.433 0 50 GDAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72122517 KMBSNBXHENALDD-HNNXBMFYSA-N 388.467 1.530 0 50 GDAA COCCCN1C(=O)CC[C@H]2CN(Cc3c(CO)cnc(C)c3O)CC[C@H]21 72429271 HTEQEHIUYPWVCK-MAUKXSAKSA-N 377.485 1.437 0 50 GDAA CC1CCN(Cc2ccc(C(=O)N3CCO[C@]4(CNCCOC4)C3)o2)CC1 72130902 ZJGFKBWCEATXRP-HXUWFJFHSA-N 377.485 1.343 0 50 GDAA COCCN1CCC(C(=O)NCc2cc3n(n2)CCN(CC(C)C)C3)CC1 82107362 JCZWUUHGOXOAQO-UHFFFAOYSA-N 377.533 1.329 0 50 GDAA C[C@H](C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1)N1CCCC1=O 223835310 IIWXPGLHVHTZIR-GFCCVEGCSA-N 381.436 1.071 0 50 GDAA CC(C)CN1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C[C@@H]1CCO 426504451 GWBJGEYIZZUNQN-INIZCTEOSA-N 377.533 1.913 0 50 GDAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)CC1 95518140 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N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cnc3c(c2)CCCC3)CC1 1857723716 SASZHSGERSEJML-UHFFFAOYSA-N 379.464 1.989 0 50 GDAA CCCCN1CC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)OCCC1=O 1857734061 CBLDMFJGJZTHSD-INIZCTEOSA-N 379.501 1.265 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCCc2ncc[nH]2)C[C@H]1NC(=O)c1ccncc1 1875251057 UGQBGMXCDJWOKA-GVDBMIGSSA-N 385.468 1.467 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N3CCN(CC)[C@@H](c4ncc[nH]4)C3)cc12 328629831 PFFSQIFPKMFDCM-OAHLLOKOSA-N 390.469 1.576 0 50 GDAA Cc1cc(O)nc(N2CCN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)CC2)n1 1875314851 WJMHWTQCDHZNRT-OLZOCXBDSA-N 386.456 1.209 0 50 GDAA CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 1775960978 SLEYJYZMDNDBOG-BBWFWOEESA-N 388.855 1.986 0 50 GDAA CC(=O)[C@H]1CC(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)=NN1c1ccccc1 899614980 MUZAIRHERJMBQP-NVXWUHKLSA-N 383.370 1.984 0 50 GDAA Cn1c(=O)c2c(-c3ccc(Br)cc3)n3c(c2n(C)c1=O)COCC3 6668444 IPUJFFYVQHCQRM-UHFFFAOYSA-N 390.237 1.998 0 50 GDAA CN1CCN(c2ncc3c(n2)CCN(C(=O)c2cccc4cnccc24)C3)CC1 2325781376 KYJCNYHESWVKDF-UHFFFAOYSA-N 388.475 1.975 0 50 GDAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)c1 2325786243 YIFMUMVSUCKVGO-IAOVAPTHSA-N 387.436 1.672 0 50 GDAA COC[C@@]1(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)CCNC1 2325799580 IYRFRJUDSIIICO-OAHLLOKOSA-N 380.246 1.138 0 50 GDAA O=C([C@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1CC[C@H]2C[C@H]1CO2 2325805069 NJVPHCCHWNVMNL-KWBADKCTSA-N 391.371 1.125 0 50 GDAA NC(=O)c1c(NC(=O)CN[C@@H](CO)[C@H]2CC=CCC2)sc2c1CCCC2 2325860799 UQHZKYDGSSORTI-JSGCOSHPSA-N 377.510 1.971 0 50 GDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4ccc(F)cc4F)cccc3C2=O)C(=O)N1 1857798081 NAUGUECGJGRBAZ-INIZCTEOSA-N 399.353 1.978 0 50 GDAA COC(=O)c1coc(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)n1 2356147180 LSDMDPKZLZXMNO-UHFFFAOYSA-N 376.394 1.613 0 50 GDAA CN(C)c1ccc(-c2ccnc(NC[C@H]3CN(S(C)(=O)=O)CCO3)n2)cc1 2356156309 VNBXFJAIEDZSSS-INIZCTEOSA-N 391.497 1.282 0 50 GDAA Cc1ccc(CC(=O)N[C@@H]2C[C@@H](C(=O)NCCc3cnn(C)c3)CC[C@H]2O)cc1 2356169255 XVZHXVRGKOWEFA-XUVXKRRUSA-N 398.507 1.276 0 50 GDAA O=C1O[C@@H]2CN(CCOc3ccccc3)C[C@@H]2N1CCCN1CCOCC1 67851904 ZAUZSAQECDBVKB-RBUKOAKNSA-N 375.469 1.293 0 50 GDAA CN1CCN(c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)CC1 67654360 PUSMLLHERQONLM-UHFFFAOYSA-N 381.480 1.912 0 50 GDAA O=C1CN(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)C(=O)N1 67674002 BKRSOLFAVLIPNH-CYBMUJFWSA-N 385.399 1.474 0 50 GDAA O=C1CCC2(CCN1)CCN(C(=O)CCn1cnc3ccccc3c1=O)CC2 67885451 AAZRZOGXVYOUGU-UHFFFAOYSA-N 382.464 1.696 0 50 GDAA COC(=O)[C@@H]1N[C@H](c2c[nH]nc2-c2cc(C)ccc2C)[C@@H]2C(=O)N(C)C(=O)[C@H]12 67562099 ZSVASXLGTCQICJ-YALNPMBYSA-N 382.420 1.110 0 50 GDAA Cc1cnn(CCC(=O)N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)c1 72436697 QWTWHXYTVUWMKW-FQEVSTJZSA-N 375.517 1.374 0 50 GDAA O=C1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CCN1 71755514 JNDKMMBRUBSXPZ-HXUWFJFHSA-N 398.551 1.712 0 50 GDAA CC[C@@](CNC(=O)C1CCN(C(=O)N(C)C)CC1)(C(=O)O)c1ccccc1 263137109 ZHNSEROCJKXLMV-FQEVSTJZSA-N 375.469 1.929 0 50 GDAA Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)no1 72432552 AIVMFCCAZNEWSJ-SJORKVTESA-N 375.450 1.107 0 50 GDAA CC[C@@H](C)C(=O)N1CCc2cccc(S(=O)(=O)N3CCN(C)CC3)c2C1 77390892 LPKNBNSXBIEVCM-OAHLLOKOSA-N 379.526 1.554 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCCOCC1 72144991 ACPPFNOFDNEUIY-KRWDZBQOSA-N 375.469 1.025 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CC[C@H](C(=O)O)C2)cc1 262972858 KBNPLLHGAZYUEA-HIFRSBDPSA-N 397.497 1.894 0 50 GDAA COC(=O)c1c(NC(=S)N2CCN(CCO)CC2)sc2c1CC[C@@H](C)C2 17081360 ZVRFLPLYBBFDDX-GFCCVEGCSA-N 397.566 1.966 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNC(=O)CN(C)Cc3ccncc3)cc2C1 426635273 GASAJOIRXAHZFN-UHFFFAOYSA-N 384.484 1.025 0 50 GDAA CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2COc3c(C)cccc3C2)s1 289520306 MHZCWJDDAWZJMC-CQSZACIVSA-N 380.491 1.975 0 50 GDAA O=C(Cn1cnc2ccsc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225421369 WJTCSJPVRQONQP-OLZOCXBDSA-N 382.445 1.266 0 50 GDAA biogenic C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCN2CCNC(=O)C2)C1 91587347 OONGYECLXVYMKD-NRFANRHFSA-N 387.480 1.408 0 50 GDAA CNc1nc(C)c(C(=O)N2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)s1 91288784 FODBUEGASTWDBL-SFHVURJKSA-N 380.514 1.984 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 97602526 DQAFVAOQWIWAIA-AWEZNQCLSA-N 381.440 1.163 0 50 GDAA O=C(NCCc1c[nH]cn1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 91493634 UHGZSYIRPLYYNW-UHFFFAOYSA-N 385.449 1.256 0 50 GDAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(=O)n(-c2ccccc2)[nH]1 244898878 ZDELGJSJMLIKFX-QGTPRVQTSA-N 378.432 1.673 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CO)CCSC)n2)cc1 253397934 BTJITAAVYFVLPU-AWEZNQCLSA-N 377.466 1.149 0 50 GDAA CC(=O)N[C@@H](CC(=O)N(CC(=O)O)C1CCOCC1)c1c(F)cccc1F 299748538 HKDRCYHHOOOOAA-HNNXBMFYSA-N 384.379 1.624 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCn2nnc3ccccc32)OCC(=O)N1C 1940197754 OEDGJWPAAWFUQC-UXHICEINSA-N 393.447 1.454 0 50 GDAA O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ncccn2)CC1 584903596 RJZYIKWNTHLGPG-OAHLLOKOSA-N 384.415 1.253 0 50 GDAA O=S(=O)(NCCN1CCCC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 670441081 JZAOEDCZAKCHOL-GFCCVEGCSA-N 382.404 1.710 0 50 GDAA Nc1cccc(C(=O)N2CCC(CNC(=O)Cc3ccc4c(c3)OCO4)CC2)n1 952982429 HARWLBHDUDUPHN-UHFFFAOYSA-N 396.447 1.604 0 50 GDAA C[C@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2c(O)cccc21 170597396 AXMWTEICYNAPIZ-NSHDSACASA-N 380.404 1.492 0 50 GDAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(=O)n(C)c(=O)n1C 1506412454 CYVGNKOLBLVJNX-UHFFFAOYSA-N 383.408 1.105 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(N3CCSCC3)CC2)C1 1506401207 YSKSJLVRNSAKQF-OAHLLOKOSA-N 377.576 1.103 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@@H]2O)on1 1529197515 RBMOIDYHNIMKCU-KDOFPFPSSA-N 382.420 1.145 0 50 GDAA COC(=O)NCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 222312932 NRTTUTDIMRDRDD-HIFRSBDPSA-N 379.482 1.486 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(F)cc1Cl 1704302122 DJIAYSQPGXJYCJ-FZMZJTMJSA-N 378.853 1.044 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CN(CCOc3ccc(F)cc3)C[C@]2(CO)C1 1772708110 BITVUHWDIAISAH-MGPUTAFESA-N 386.427 1.061 0 50 GDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ncn(C)n3)CCSCC2)o1 1776111858 UNEROHNJDVWIEQ-UHFFFAOYSA-N 392.481 1.296 0 50 GDAA COc1cccc(C(=O)N2C[C@H]3CN(CC(=O)O)C[C@]3(CCC(=O)O)C2)c1 1772709207 JECMPZLXMOWLDG-AUUYWEPGSA-N 376.409 1.019 0 50 GDAA O=C(O)c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)c(Cl)c1 1772805544 OETHSRHPJNBKHA-PXAZEXFGSA-N 394.884 1.820 0 50 GDAA Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)s1 12194228 NESMGSDTIXKVKO-CYBMUJFWSA-N 385.559 1.291 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccn2)c1 12315401 HNXBIEQCJCCLIY-LJQANCHMSA-N 382.464 1.140 0 50 GDAA COc1ccc(C(=O)NCc2cccnc2N2CCN(C(C)=O)CC2)cc1F 12749486 IBODKGWIJDCJLF-UHFFFAOYSA-N 386.427 1.828 0 50 GDAA Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3C2)c1 14753192 JTINDWKVESALCA-IHPCNDPISA-N 381.451 1.934 0 50 GDAA COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 14948943 NIJABARZTYKBJX-QGZVFWFLSA-N 377.460 1.355 0 50 GDAA COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2CCC(C)C)cc1 14950390 JZHVCPSZVUSOEP-KRWDZBQOSA-N 375.469 1.326 0 50 GDAA CN(CCN1CCOCC1)c1nc2nonc2nc1NCc1cccs1 19841379 ZBUJNNPYEBIHJR-UHFFFAOYSA-N 375.458 1.455 0 50 GDAA CN(C)S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 4809053 ITQHNEQJAPMMIU-UHFFFAOYSA-N 391.449 1.345 0 50 GDAA CCn1c(=O)c(=N[C@H]2C[C@H](Cn3cc(Cl)cn3)C[C@@H]2O)[nH]c2ccccc21 1857531204 LDLKKKFKWOONFB-NUTKFTJISA-N 387.871 1.940 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]12 1857722006 BTVFENXRACGEDF-CSFVBSKPSA-N 392.477 1.407 0 50 GDAA CN(C)C[C@@H]1OCCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1cnn(C)c1 1857738450 IINKVCDHDUNDAQ-IRXDYDNUSA-N 398.916 1.766 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCc3ccc(-c4ncon4)cc3)CC2=O)s1 1857738805 ZAYCKOUFJBEJLV-CYBMUJFWSA-N 384.421 1.566 0 50 GDAA COC(=O)Cc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(-c2cc(Cl)ccc2OC)n1 1875240783 ZMNCKUVFWBSCNN-ZKYQVNSYSA-N 394.859 1.601 0 50 GDAA Cn1cc([C@@H]2[C@@H](C(=O)NCC(=O)Nc3ccccc3)CC(=O)N2C(C)(C)C)cn1 225454502 NJESCKOFDZWFJX-QFBILLFUSA-N 397.479 1.863 0 50 GDAA CC[C@@H]1CN(C(=O)NCc2ccccc2N2CCOCC2)CCN1CCOC 117486482 RZAWQAYMYWVYDM-LJQANCHMSA-N 390.528 1.775 0 50 GDAA CCc1nc2c(s1)[C@@H](N(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)CCC2 330020755 ALBFRMLXQXRCCD-OCCSQVGLSA-N 385.555 1.660 0 50 GDAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 247993311 BPYIXUVVCJETFD-OLZOCXBDSA-N 375.454 1.715 0 50 GDAA CN1CCN(c2cc(N3CCC[C@@](CO)(c4ccccc4)C3)ncn2)CC1=O 374543307 KLAMLEOHJUDHPU-OAQYLSRUSA-N 381.480 1.286 0 50 GDAA COc1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)cc(Cl)c1OCC(N)=O 377166377 ZOOYSYNIKNBHIW-UGVTYOPQSA-N 394.855 1.708 0 50 GDAA CC(C)Cn1[nH]c(CC(=O)N2CCC(c3nnc(S)n3C)CC2)cc1=O 932066589 CXFUVVJJWIVQSK-UHFFFAOYSA-N 378.502 1.198 0 50 GDAA Cn1nc(-c2ccccc2)cc1S(=O)(=O)N1CCC2(CCNC(=O)O2)CC1 1875290410 CIVFFQGKDGFPEL-UHFFFAOYSA-N 390.465 1.740 0 50 GDAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CC2)CC1 1875269412 AHZACHDAMFCGDN-GOSISDBHSA-N 387.480 1.861 0 50 GDAA Cn1ccnc1[C@](O)(Cc1nc(CNC(=O)OC(C)(C)C)no1)C(F)(F)F 1875340024 IOHWQDIJECIIIE-CQSZACIVSA-N 391.350 1.820 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4c(C)cccn34)C2)n1 1875397115 MBBIRVJKRKHZFD-MRXNPFEDSA-N 393.495 1.778 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1c(C)nn(C)c1OC)C[C@H](C)O[C@@H]2C 1875315591 AIZOGIQMGSQYLY-WCQYABFASA-N 391.472 1.532 0 50 GDAA CN(CCN(C)C(=O)c1ccccc1-n1cccc1)C(=O)C[C@H]1COC(=O)C1 1875333911 PQAMTTZVDSZINB-MRXNPFEDSA-N 383.448 1.961 0 50 GDAA O=C(c1ccc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1)N1CCOCC1 1875400040 PRZFDHVOIBVVPT-MISYRCLQSA-N 384.480 1.285 0 50 GDAA CCn1ccc(CC(=O)N(C)CCOCCNC(=O)c2ccc3[nH]ccc3n2)n1 1775990650 YVGFMCPDQPCLBF-UHFFFAOYSA-N 398.467 1.227 0 50 GDAA Cc1cccc(-n2cc(S(=O)(=O)NC(=O)c3cc4c(n3C)CCNC4)cn2)c1 2325808041 WSBHBPRWOPSBOX-UHFFFAOYSA-N 399.476 1.284 0 50 GDAA O=C(c1cn(Cc2ccccc2)c2ccccc12)N1C[C@@H](CO)O[C@H](CO)C1 2325808264 LFNRGSXDZCONQE-ROUUACIJSA-N 380.444 1.884 0 50 GDAA CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc3cnnc(O)c3c2)C1 2325820809 DRIGFSMPRPLATO-LJQANCHMSA-N 391.475 1.881 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC[C@]12CCCN(C)C2=O 2356164225 KFFGWXQJCJFSTO-SFHVURJKSA-N 396.465 1.098 0 50 GDAA CCCn1ccnc1-c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)c1 225468460 HYDOFXSCCDKKBB-INIZCTEOSA-N 383.452 1.636 0 50 GDAA CC(C)c1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)nc2ncnn12 67654202 VGJIZFYTAAEGQR-UHFFFAOYSA-N 394.483 1.325 0 50 GDAA COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CCC(C)CC2)=C1 20570014 MNRXOMABYUVJCZ-UHFFFAOYSA-N 377.466 1.817 0 50 GDAA O=C(NCCN1CCOCC1)[C@@H]1CC(c2cccc(Br)c2)=NO1 20436835 NFQPGJNUBJRVDC-HNNXBMFYSA-N 382.258 1.391 0 50 GDAA COC(=O)Cc1cc(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)[nH]n1 67676499 CHXHKINGWGBINQ-SFHVURJKSA-N 385.420 1.671 0 50 GDAA O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1cccc(-n2ccnn2)c1 119380770 BYWCIVVBZFRERL-UHFFFAOYSA-N 398.386 1.942 0 50 GDAA Cc1cccc2c(C(=O)N[C@H](C)Cn3cncn3)cc(-c3cnc(N)nc3)nc12 63847967 KDXAIPCUKWFOGE-CYBMUJFWSA-N 388.435 1.992 0 50 GDAA Cc1nc(CN2CCN(Cc3sccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)co1 72427198 QPWMAZVCILIYAG-JKSUJKDBSA-N 381.523 1.836 0 50 GDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 328606282 QXZUFOGUHQMLFN-UHFFFAOYSA-N 385.873 1.771 0 50 GDAA COC(=O)c1ccc(NC(=O)Cn2ncc(N3CCCC3)c(Cl)c2=O)cc1 72116110 CDSUCCAIPWPSLU-UHFFFAOYSA-N 390.827 1.922 0 50 GDAA COc1ccccc1CNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72433532 CITPUIHYCSPJIP-AWEZNQCLSA-N 376.482 1.968 0 50 GDAA CN1C(=O)C[C@@H](C(=O)NCc2ccc(OC3CCCC3)nc2)[C@H]1c1ccnn1C 366311741 NAMPXDQFCFIRCF-UZLBHIALSA-N 397.479 1.972 0 50 GDAA Cc1nnc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)s1 71758855 VTTQVBQRLCHCBH-INIZCTEOSA-N 393.557 1.382 0 50 GDAA O=C1C[C@]2(CCN(C(=O)CCc3cc4n(n3)CCNC4)C2)Oc2ccccc21 72435123 OCLHAJFFSDUYEI-NRFANRHFSA-N 380.448 1.555 0 50 GDAA CCc1noc(CCNC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)n1 426510295 OIDZSSCNLVOEBY-UHFFFAOYSA-N 384.440 1.783 0 50 GDAA CCc1ccc(CN2CCN(C(=O)C=C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)nc1 82099778 UYKOMIJGZQDNSE-MSOLQXFVSA-N 377.510 1.420 0 50 GDAA CCc1nc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)n[nH]1 426503457 GRRQVJBMOREGFI-CYBMUJFWSA-N 377.518 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388.424 1.174 0 50 GDAA COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@H]4[C@@]2(Cl)[C@]2(Cl)[C@]1(Cl)[C@H]3C(=O)[C@@]42C 239321948 IYKMPUJZXOUTKN-OZEAAUNCSA-N 386.058 1.947 0 50 GDAA Cn1c(CCCNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)nc2ccccc21 244828627 TZSKWQMARKYZEQ-GASCZTMLSA-N 381.484 1.970 0 50 GDAA COCCCn1cnnc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 824396360 KOGNMCNVMSTZQP-KRWDZBQOSA-N 385.468 1.626 0 50 GDAA O=C(CCC(=O)NC1CCN(C(=O)C2CCCC2)CC1)Nc1nncs1 952976657 SFAWDTGHAFQCBO-UHFFFAOYSA-N 379.486 1.554 0 50 GDAA CS(=O)(=O)NCCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565508147 LHRBLXBLUOAKGV-WBVHZDCISA-N 383.489 1.188 0 50 GDAA C[C@]1(C(=O)NS(=O)(=O)c2ccccc2I)CCCO1 408486864 UMUOCOZMBWVFLU-GFCCVEGCSA-N 395.218 1.665 0 50 GDAA COc1cc2ncn(CCCC(=O)N3CC[C@H](C(=O)O)C3)c(=O)c2cc1OC 269183074 LUHLJSVIEDMJBJ-LBPRGKRZSA-N 389.408 1.127 0 50 GDAA Cc1ccn(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(=O)c1 194513013 RFKCATXQVWMTMR-MRXNPFEDSA-N 386.471 1.925 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(c3ccnc(C)c3)CC2)C1 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COC(=O)C1=CN(CC(=O)Nc2ccc(C)cc2Cl)S(=O)(=O)N=C1C 169776603 BKNZPZBTFZIYLZ-UHFFFAOYSA-N 385.829 1.665 0 50 GDAA CCCCNC(=O)Cn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@@H](C)N 1857673328 SZSPSJCLNJJXNU-CYBMUJFWSA-N 375.473 1.822 0 50 GDAA O=C(C1CC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc3n2CCCC3)C1 1857680546 PGGZPNKYCSMCFC-JIPZTSHUSA-N 399.495 1.389 0 50 GDAA CC[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCCc3cnn[nH]3)C2)CC1 1857690344 HVQJGYHNKDVTQZ-AXHMDWHKSA-N 389.500 1.155 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(OC)nc3)CC2)C[C@H]1N 1857712495 PMBLRYUWLQHXEU-CGTJXYLNSA-N 376.501 1.661 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)nn1C 1857713067 BZTJUIHKNTZPOK-OALUTQOASA-N 386.500 1.530 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CCN(C4CCCC4)C(=O)C3)CC2=O)s1 1857714374 ZZVSYZYXLYUWTH-GFCCVEGCSA-N 391.497 1.067 0 50 GDAA O=C(Cn1cccnc1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857719460 LPTHIFKQLIVGFN-ICSRJNTNSA-N 382.464 1.308 0 50 GDAA 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CN=c1[nH]c(N2C[C@@H]3CS(=O)(=O)C[C@@]3(c3ccccc3)C2)ncc1Cl 2325780819 RHXVQRUKFZQQNP-CXAGYDPISA-N 378.885 1.396 0 50 GDAA CCC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)c1cnc3n1CCC3)CCO2 2325785382 VBZLZIPMCAETDJ-UHFFFAOYSA-N 394.497 1.239 0 50 GDAA Cc1cccn2cc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)nc12 2325785704 JRGGMYQKKDIOJS-IAGOWNOFSA-N 381.484 1.546 0 50 GDAA Cc1cc(CN[C@@H]2C[C@H](Cn3cc(C(=O)O)cn3)C[C@H]2O)cnc1-n1cccn1 2325786185 NUPJTOFBLKDPQV-BMGDILEWSA-N 396.451 1.400 0 50 GDAA Cc1cccc(-c2nc(N[C@@H]3CCC(=O)NC3=O)cc(N3CCOCC3)n2)c1 1857797719 DGLAZEQCEZAVFB-OAHLLOKOSA-N 381.436 1.506 0 50 GDAA NS(=O)(=O)Cc1cccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c1 467718255 NDHSGJSBAWPBRR-UHFFFAOYSA-N 392.387 2.396 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C 1057307 FEAZFHGWLOJWFH-HNNXBMFYSA-N 382.482 1.263 0 50 GDAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N[C@H]1CCS(=O)(=O)C1 4275647 IOCFPJDXIQELRD-ZDUSSCGKSA-N 386.429 1.129 0 50 GDAA O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)c1ccc2[nH]nnc2c1 225834208 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CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3cc[nH]n3)c2)cn1 95373876 OHBKWPWVBAYTRA-UHFFFAOYSA-N 388.453 1.035 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 95383858 TYOBNBNRRZWIBP-KRWDZBQOSA-N 385.516 1.642 0 50 GDAA NC(=O)c1ccc(NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Cl 96152185 NIRIJCSYTNFBTA-NSHDSACASA-N 381.864 1.148 0 50 GDAA Cc1ccccc1OCC(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95357013 QIYVSUKRDZQMJK-JKSUJKDBSA-N 381.498 1.103 0 50 GDAA COc1cc2c(cc1CNC(=O)CC[C@@H](C)N1CCN(C)CC1)OCCO2 244816820 SPBNTEMELQXJTJ-OAHLLOKOSA-N 377.485 1.499 0 50 GDAA CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 183433491 ROFOXQPOTKXDSF-HNNXBMFYSA-N 392.481 1.625 0 50 GDAA CCNC(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299782694 GNCJXXGSNWYAOV-SFHVURJKSA-N 393.459 1.032 0 50 GDAA O=C(Nc1cnn2c1NCCC2)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 1940195351 NNVSZXKHGGGSNT-CGSMKXTHSA-N 392.463 1.969 0 50 GDAA COC(=O)CN(C)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 299786410 TWEXQGRYVNNQBB-JTQLQIEISA-N 379.438 1.258 0 50 GDAA CCc1nn(C)c(NC(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)c1CC 299780083 MBQYBTGAUJLTRI-CYBMUJFWSA-N 385.534 1.871 0 50 GDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(Cn2cnnn2)cc1 828157777 MHJBUKUXXOWKTP-MRXNPFEDSA-N 380.408 1.349 0 50 GDAA O=C(NCCN1CCCC[C@H]1CO)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 670455456 UVQVZSBJNPFFAR-XGNNGGHXSA-N 387.528 1.537 0 50 GDAA COc1ccc(OCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 886025633 ODYWEHDKDWACHP-QGZVFWFLSA-N 383.404 1.331 0 50 GDAA Cc1ncnc(N2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)c1C 952975053 GRZAKHRFFSRRNA-UHFFFAOYSA-N 381.480 1.637 0 50 GDAA O=C(NCc1noc(-c2cccs2)n1)[C@@H]1CNC[C@@H](C(=O)N2CCCC2)C1 1565526561 VXMUZDOFNALGIB-STQMWFEESA-N 389.481 1.262 0 50 GDAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1=O 269031618 MSNLZKSASQENIW-KGLIPLIRSA-N 376.409 1.059 0 50 GDAA Cc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)nc2nc(O)[nH]c(=O)c12 186833577 VHNBEWHRLPAVCG-UHFFFAOYSA-N 377.404 1.961 0 50 GDAA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 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COc1cc(CN2CCc3nc(C4CCOCC4)nn3CC2)cc2c1OCO2 2356135033 MYOJTAJHSCSICR-UHFFFAOYSA-N 386.452 1.968 0 50 GDAA COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(OC)cc1 2870482 GNYCXKDGHOTVKN-UHFFFAOYSA-N 385.376 1.175 0 50 GDAA O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2cccs2)CC1 2872520 ACULBIWBFVMZNW-UHFFFAOYSA-N 380.447 1.624 0 50 GDAA CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC2CCN(c3nccs3)CC2)C1 225755971 LAZCMDNQQMXQBM-UKRRQHHQSA-N 382.530 1.929 0 50 GDAA CCN1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 20362795 DXPZWBMDTRUKHZ-UHFFFAOYSA-N 389.905 1.279 0 50 GDAA CC(C)NC(=O)c1cn(CCN2CCN(C(=O)C3CCCCC3)CC2)nn1 20997286 FNZDGVGDLSNAMO-UHFFFAOYSA-N 376.505 1.141 0 50 GDAA O=S(=O)(c1cccc(I)c1)N1C[C@H]2CC[C@H]1CN2 422554021 LJBFNWWGHYYULV-MNOVXSKESA-N 378.235 1.416 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)N3CCCCC3)C2)nn(CCN(C)C)c1=O 67757524 OIEDOWCSSNKNKD-INIZCTEOSA-N 378.521 1.412 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3)c(=O)n2[C@@H]1c1ccccc1 2769370 YCAUFPOOQZVRFO-BAPRJRNISA-N 394.456 1.142 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1c1ncc[nH]1 328643368 YVGXYLLEMOXRQU-SECBINFHSA-N 391.316 1.911 0 50 GDAA COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NCc2cccnc2)CC1 253407813 LGSMMABEKVWSRE-UHFFFAOYSA-N 386.427 1.190 0 50 GDAA Cn1cc(-c2ccnc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cn1 253427816 AWVZCPLVDHYUNN-OAHLLOKOSA-N 376.420 1.864 0 50 GDAA O=C(Nc1ccccc1F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528105 GCZLUDHGSSPARY-UHFFFAOYSA-N 386.431 1.806 0 50 GDAA CC(C)[C@H](CNC(=O)NCc1ccnc(-n2ccnc2)c1)N1CCN(C)CC1 363207734 JLBLEJXZONJQKY-SFHVURJKSA-N 385.516 1.339 0 50 GDAA O=C(NCCNc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71422194 FMCQPBXSILKSCD-SFHVURJKSA-N 399.539 1.723 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(c3nc(CO)cs3)CC2)C1)N1CCOCC1 71752718 BKCVNKUPWXASQV-OAHLLOKOSA-N 394.541 1.175 0 50 GDAA C[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1nc(-c2ccccn2)no1 72418084 XCPRTVOMXGDTAJ-ZDUSSCGKSA-N 381.440 1.631 0 50 GDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc(CO)o1)C2 72147272 HYVLSLDBYXLZHO-UHFFFAOYSA-N 379.420 1.888 0 50 GDAA 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1.773 0 50 GDAA Cc1cccc(C[C@@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(=O)O)c1 237670322 MEJXTFVTYVGEFM-IRXDYDNUSA-N 384.432 1.996 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1 95530516 QJOKGQOKFMPYPU-ZDUSSCGKSA-N 379.420 1.230 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)CN(C)Cc3ccccc3)C2)CCC1=O 91519404 MQNUBDCGVOJFLU-JOCHJYFZSA-N 387.524 1.996 0 50 GDAA O=C1CNC(=O)N1Cc1nc(C2CCOCC2)nn1-c1cccc(Cl)c1 96139127 YLFKHFQPHSAPGN-UHFFFAOYSA-N 375.816 1.867 0 50 GDAA CSc1ccc(CC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1 95368620 MRASVWONFJSLLS-HNNXBMFYSA-N 376.478 1.875 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 95384900 CUUTZUTZEVBEFR-IEBWSBKVSA-N 392.525 1.233 0 50 GDAA Cn1cc(N2CCC[C@@H](NC(=O)c3nn(-c4ccccc4F)cc3O)C2=O)cn1 294885144 IFSUJPJJSBEYBX-CQSZACIVSA-N 398.398 1.376 0 50 GDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1O 257357417 NXGXFAKJUWEFEC-RKYRPXKFSA-N 399.443 1.908 0 50 GDAA O=C(CCOc1ccccc1)N[C@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]1O 1940196495 OSJLHFBMAWSDRK-XIRDDKMYSA-N 386.452 1.141 0 50 GDAA CC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)s1 299780032 JJPHYHBXJWYTBE-HZPDHXFCSA-N 375.560 1.278 0 50 GDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CSc2ccncc2)[C@H](O)C1 299773506 CWWTWQVXMQNDMB-IAGOWNOFSA-N 376.482 1.530 0 50 GDAA Cc1ccc([C@@H]2CC(=O)Nc3nc(N4CCN(CCO)CC4)nc(O)c32)cc1 828760525 XPRFIHIQOFQIKP-HNNXBMFYSA-N 383.452 1.079 0 50 GDAA O=C(NCCCn1ncc2ccccc21)[C@@H]1CC(=O)N(Cc2ccncc2)C1 827696718 RJAZSFNCNLVVCH-GOSISDBHSA-N 377.448 1.986 0 50 GDAA Cn1ccnc1CN(CCO)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 584888293 XPSWSYCRUIYZLN-ZDUSSCGKSA-N 391.859 1.383 0 50 GDAA NC(=O)COc1cccc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 952983447 FEESCQSPNWXLOX-BANKROOTSA-N 382.468 1.375 0 50 GDAA O=C(O)c1ccnc(-c2ccnc(N3CCCO[C@@H](CN4CCCC4)C3)n2)c1 72454398 WJHFAUIRERRIBQ-INIZCTEOSA-N 383.452 1.928 0 50 GDAA CCCc1ncncc1C(=O)N[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1O 1565507714 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C[C@@H]1CN(C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)C[C@@H](CC(F)(F)F)O1 1875268184 GQEYJXYMJGYBML-GHMZBOCLSA-N 385.342 1.258 0 50 GDAA CCOC(=O)c1c(C)nc(N2C[C@@H]3[C@](C(F)(F)F)(C2)CS3(=O)=O)nc1C 1875328768 LSBXYXKVIBEZOC-YGRLFVJLSA-N 393.387 1.436 0 50 GDAA O=C(C1CCN(c2cc(O)ncn2)CC1)N1CC(c2ncnc3ccccc23)C1 1875308729 UGNPXFOBQJSDDM-UHFFFAOYSA-N 390.447 1.968 0 50 GDAA CN(C[C@H]1CCCN(C(=O)Cc2cccnc2)C1)C(=O)c1ccc(C(N)=O)[nH]1 1875330958 JJXYFHCDNGEOGQ-OAHLLOKOSA-N 383.452 1.062 0 50 GDAA CC(=O)NCC12CC(C(=O)NCCc3cccc(C)c3)(C1)C1(CCNCC1)O2 1875393548 OLVUPJHEPKQJOR-UHFFFAOYSA-N 385.508 1.461 0 50 GDAA CCOC(=O)[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3)C2=O)CCCCO1 1875359530 HLGJMBXQSHZWPA-UZLBHIALSA-N 392.427 1.940 0 50 GDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1 2100533471 QIAZWYRWXSYXQE-DLBZAZTESA-N 389.496 1.326 0 50 GDAA Cc1ccc(OCc2nnc(NC(=O)CN3C(=O)CN(C)C3=O)s2)c(C)c1 2100539480 KFDIPPHYVXDEMU-UHFFFAOYSA-N 389.437 1.566 0 50 GDAA 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390.221 1.703 0 50 GDAA Cn1nc([C@@H]2CCCN(C(=O)c3ccc(O)nn3)C2)n(-c2ccccc2)c1=O 67847051 METRVWHNWHGVEZ-CYBMUJFWSA-N 380.408 1.086 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2cccnc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 65461309 YKVJZTUSJCJZCX-OZQHCQBDSA-N 393.443 1.849 0 50 GDAA Cn1c(CCC(=O)NC2CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77355994 MYRQPAHKBYVGMC-UHFFFAOYSA-N 376.482 1.569 0 50 GDAA O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cn(C2CCNCC2)nn1 262677086 TUWQSWKSDWJHTL-QGZVFWFLSA-N 394.439 1.036 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1CCCCC1)CO2 71752082 CWSQKYZXFANTNY-MRXNPFEDSA-N 375.469 1.663 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)cn1 72125707 JSWACTSKMBMILV-MRXNPFEDSA-N 384.436 1.550 0 50 GDAA CCCc1nnsc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77470701 ORUOBAGWIIDMNF-UHFFFAOYSA-N 376.486 1.231 0 50 GDAA CCC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](C(=O)O)CC[C@H]1C)C2=O 263133330 GCSZUIODEBJCBB-GWMLXNDSSA-N 379.457 1.589 0 50 GDAA O=C(c1ccncc1)N1CCN(CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 82137779 GNZVPTQTDRWNIO-MOPGFXCFSA-N 385.489 1.248 0 50 GDAA Cc1ccn2c(C(=O)N3CCC4(CC3)Nc3ccccc3NC4=O)nnc2n1 82086930 OFLBVKFFBKCQGF-UHFFFAOYSA-N 377.408 1.472 0 50 GDAA Cc1noc(C)c1CCCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 84893189 WLQPGKCNLCGDAD-UHFFFAOYSA-N 377.489 1.174 0 50 GDAA O=C(NCCN1CCCOC1=O)N1CCCN(Cc2ccc(F)cc2)CC1 426373571 DYVIXQIOQUUCDG-UHFFFAOYSA-N 378.448 1.885 0 50 GDAA O=C(CCc1nnc(O)nc1O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334161104 TVDACWUDMVFIPL-QGZVFWFLSA-N 390.403 1.998 0 50 GDAA CCc1nccn1CCC(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91574291 XAYWEAYQPATHND-XMTFNYHQSA-N 378.517 1.012 0 50 GDAA NC(=O)NCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95498166 JAZZLOPTENXMRV-LBPRGKRZSA-N 382.411 1.268 0 50 GDAA CN[C@@H](CC(C)C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 92045786 BTMBNWGJWYSORA-SFHVURJKSA-N 389.544 1.818 0 50 GDAA O=C(NCCSc1ncn[nH]1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 91964636 CGYRXJJHJXOJSX-CYBMUJFWSA-N 377.445 1.591 0 50 GDAA Cn1cc(Cl)cc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 426575035 ODPWGKSWLLXCBA-UHFFFAOYSA-N 375.860 1.947 0 50 GDAA Cc1cc(=O)c(C(=O)N(C)[C@H]2CCNC2)nn1-c1cccc(C(F)(F)F)c1 179109003 GTOLGDHCDGAUTI-AWEZNQCLSA-N 380.370 1.994 0 50 GDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccc(OC)o2)CC1 96153315 RVRAQOVXGOJIFI-UHFFFAOYSA-N 385.428 1.559 0 50 GDAA CN(C)C1CCN(CCNC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 179312079 VWXDINMLQUWZBJ-LJQANCHMSA-N 387.528 1.459 0 50 GDAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 91779562 FJOJZUZTYUGYQY-HNNXBMFYSA-N 392.525 1.596 0 50 GDAA COC[C@@H]1CCCN(C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)C1 534633694 VVIKBXHMSQEGLM-OAHLLOKOSA-N 377.489 1.449 0 50 GDAA CSc1ccccc1C(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 299797999 PKPZCIHDFZGCMK-UKRRQHHQSA-N 375.450 1.710 0 50 GDAA COCCN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCC1=O 824412509 ZYLMZPZKOCXZAF-CQSZACIVSA-N 380.876 1.269 0 50 GDAA CCn1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(C)n1 1565530430 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O=C(c1ccccc1OCc1cscn1)N1CCC(O)(c2nn[nH]n2)CC1 816493189 SBEGZHZNMFEXIV-UHFFFAOYSA-N 386.437 1.359 0 50 GDAA C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(C(=O)Cn1ccc(O)nc1=O)C2 827899587 WWRGZYBBQKFVJD-SFTDATJTSA-N 382.464 1.320 0 50 GDAA O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCOC[C@H]1c1nc[nH]n1 952845252 LJNDGJOCXRMHBB-ZDUSSCGKSA-N 382.417 1.495 0 50 GDAA O=C(O)[C@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1875291760 KRSLYEZRGNNUFG-MRXNPFEDSA-N 392.477 1.941 0 50 GDAA C=CC(=O)N(C)CC(=O)Nc1nn(C)c2c1CCN(C(=O)OC(C)(C)C)C2 1875370245 HMXYQOVLGUSTKV-UHFFFAOYSA-N 377.445 1.296 0 50 GDAA COc1c(CNC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)ccc2[nH]ccc12 1875397529 CYELKDSYJOCNGM-HZPDHXFCSA-N 396.495 1.762 0 50 GDAA NC(=O)Cc1cccc2c1CCN(C(=O)NCc1cccc3c1CCNC3)C2 892323381 DYOSXPXFAKLNRR-UHFFFAOYSA-N 378.476 1.628 0 50 GDAA CN(C)C(=O)c1cc2n(n1)CC1(CCN(c3nc(C4CC4)ns3)CC1)OC2 1775962206 ZBAYRQBJXOQFDA-UHFFFAOYSA-N 388.497 1.883 0 50 GDAA Cn1nnnc1[C@H]1CN(C(=O)Cc2ccccc2OCc2ccccc2)CCO1 2100557154 ODZURYXPEQGRST-LJQANCHMSA-N 393.447 1.932 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 1442657086 HTAKZZAHFJWVOI-UHFFFAOYSA-N 378.801 1.571 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)CCn2c(C)cccc2=O)C1=O 2356156295 VAPZXNILRHSQQZ-FQEVSTJZSA-N 375.469 1.177 0 50 GDAA CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 2829966 IJVLTDDJDOAMCI-UHFFFAOYSA-N 376.434 1.709 0 50 GDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N)[C@@H]1NC(=O)c1ccccc1 101135877 QJWLTVVWSLQPON-LRXQYKGQSA-N 384.432 1.598 0 50 GDAA O=C(N[C@H](CO)COCc1ccccc1)c1ccc(CSc2ncn[nH]2)o1 55182691 YMRZKPHFJVKRON-CQSZACIVSA-N 388.449 1.998 0 50 GDAA Cc1ncc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1C 23373293 TVXGFOAIUZAETJ-DHIUTWEWSA-N 397.567 1.524 0 50 GDAA COc1ccc(-n2cccn2)c(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c1 22852412 DDIDXOKZSUMZHG-NHCUHLMSSA-N 385.512 1.064 0 50 GDAA COCCN1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)CC1 20869269 JBZYHNMWDZSDRD-UHFFFAOYSA-N 381.379 1.936 0 50 GDAA COc1ccc(Cn2nc(C(=O)O)c3c2CCN(C(=O)[C@@H]2CCOC2)C3)cc1 67540035 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Cn1ncnc1[C@H]1COCCN1C(=O)Cc1cccc(OCc2cccnc2)c1 375180521 MCJGVYXLTYQHAV-LJQANCHMSA-N 393.447 1.932 0 50 GDAA COC[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1 215243329 PJVABKHQTKHEQL-QGZVFWFLSA-N 375.450 1.594 0 50 GDAA NC1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)CCNCC1 72425446 SEQBWSDGYZFVMG-NRFANRHFSA-N 384.524 1.499 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cn2c(=O)n(C)c3ccccc32)C1 371616123 LGFHCQYURQCNLI-CQSZACIVSA-N 396.451 1.428 0 50 GDAA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)nc(N)n1 218955131 ZRCCASYABRMUID-IUODEOHRSA-N 377.470 1.743 0 50 GDAA C=CC(=O)NCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 159563963 MDKIBLQRSGUPDU-UHFFFAOYSA-N 384.263 1.970 0 50 GDAA Cc1c(C(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)nnn1-c1ccc2c(c1)OCCO2 263389641 YLOXLPNREGLVMY-AAEUAGOBSA-N 386.408 1.530 0 50 GDAA Cc1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c2cnn(C(C)C)c2n1 132011231 FHGZCHRRQYQHBY-CYBMUJFWSA-N 379.486 1.474 0 50 GDAA CCc1nc2ccccc2n1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 426479645 FCNAVKODYGXAHD-UHFFFAOYSA-N 386.477 1.953 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](O)C2)cs1 426485674 IJLISTRBZNJYMW-HUUCEWRRSA-N 375.450 1.545 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1cnc(C)c1C)CC2 95385850 LVQDAXRSMDXXPR-UHFFFAOYSA-N 397.483 1.153 0 50 GDAA O=C(NCCS(=O)(=O)N1CCCC1)c1cnc(Nc2ccccc2)nc1 97675241 LKGRBASIZVSMOT-UHFFFAOYSA-N 375.454 1.376 0 50 GDAA Cc1cc(=NC(=O)c2cc3cc(F)ccc3n2C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159165 KDPSCPDBTQABKI-CQSZACIVSA-N 390.440 1.856 0 50 GDAA CCNC(=O)c1ccc(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)c(C)c1 96151094 LLRCEWRIKMYARP-OAHLLOKOSA-N 375.473 1.064 0 50 GDAA CCN1CCNC(=O)[C@@H]1Cc1nc(COc2cccc(Cl)c2)nn1CC 96132282 ISRYNIJYZZIGEY-HNNXBMFYSA-N 377.876 1.893 0 50 GDAA CNS(=O)(=O)CC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 293672602 GNPQIMDXPWNMTE-ZWNOBZJWSA-N 380.388 1.543 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 299752890 VWRZXYCDUBJMIF-PWSUYJOCSA-N 390.255 1.516 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4c(C)nn(C)c4C)c3CO2)cc1 263616648 JXPUAADHGKKBDU-SFHVURJKSA-N 396.451 1.839 0 50 GDAA O=C(c1cccc(-c2ncccn2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 299799590 UAFXSNDLLLUOLN-SFHVURJKSA-N 380.448 1.855 0 50 GDAA O=C(c1ccc(CN2CCCC2)o1)N1CCCO[C@H](CN2CCOCC2)C1 299794616 LRPGIXSIPXGKHY-GOSISDBHSA-N 377.485 1.439 0 50 GDAA CCc1nc(C)c(C(=O)NCC2CCN(Cc3cn(CCO)nc3C)CC2)o1 828776659 GGGJVHOYTXDBQM-UHFFFAOYSA-N 389.500 1.685 0 50 GDAA CN1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)CC1 828747165 IEACZEGDGAYEES-JOCHJYFZSA-N 383.540 1.835 0 50 GDAA CC(=O)N1CCO[C@@H](CNC(=O)N(CCCO)Cc2ccc(Cl)cc2)C1 584893537 FUDJRGLLKVYEJJ-KRWDZBQOSA-N 383.876 1.481 0 50 GDAA Cc1cccc(N2CCC(NS(=O)(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c1 670451984 CTFALLNVDKGWKR-OAHLLOKOSA-N 381.498 1.595 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O 14747247 SFNUMVUKOGERHJ-KGLIPLIRSA-N 399.369 1.393 0 50 GDAA CC(=O)c1cc(CN[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n(C)c1 952976252 JZFJJPXJZSLCRT-RUDSSYLZSA-N 378.520 1.885 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)NCC2CCN(c3cncc(C(=O)O)n3)CC2)C1 952868827 HHFKMTWMXZRYIK-OAHLLOKOSA-N 375.429 1.308 0 50 GDAA CC(=O)N1CCCN(C(=O)c2ncoc2C)CCNC(=O)C[C@H]1c1ccccc1 952865197 PQRSCQQPEATQQX-SFHVURJKSA-N 398.463 1.925 0 50 GDAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2ccc(F)cc2F)N1 952965501 PSGNUENYTXKGAF-AWEZNQCLSA-N 381.404 1.829 0 50 GDAA C[C@H](CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2)c1nnn[nH]1 274784499 OPSJSYKJQPGNGA-SSDOTTSWSA-N 395.217 1.169 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cccc3c(Cl)cccc23)C[C@@H]1O 1616069896 KICVQPUFKMVWEU-PXAZEXFGSA-N 396.896 1.818 0 50 GDAA O=S(=O)(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc2c(c1)OCCO2 1704357178 DKGMYIWOEBTMFI-GDBMZVCRSA-N 376.434 1.389 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc(Cl)c1Cl 1704304405 RDMUOYRWVWXGKD-JOYOIKCWSA-N 381.281 1.630 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(F)cc1Cl 1704342504 DJIAYSQPGXJYCJ-SMDDNHRTSA-N 378.853 1.044 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@@H]2CNC[C@]2(CN(C)C)C1 1772805059 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384.436 1.447 0 50 GDAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1156462 SNGZXOLNXYZPJC-UHFFFAOYSA-N 377.441 1.938 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1N=c1cnc2ccccc2[nH]1 2356143177 XOBAKWVWTJRAHV-KFKAGJAMSA-N 383.496 1.421 0 50 GDAA CCc1c(C)nc2nc(=NC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)[nH]n2c1O 2356170114 VNOYXWMWQRLNIG-LLVKDONJSA-N 398.398 1.253 0 50 GDAA COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 2851911 FIEVRSMUVJTDRX-UHFFFAOYSA-N 392.433 1.887 0 50 GDAA CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1 117683910 CAUQTMCCLFVLNK-UHFFFAOYSA-N 378.475 1.750 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)cc1 65403765 BERLBCWGBSYWJH-CQSZACIVSA-N 378.454 1.640 0 50 GDAA CNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)c1c(C)cc(C)nc1O 409414813 OWIMEGQQOIBKIK-OAHLLOKOSA-N 399.447 1.734 0 50 GDAA Cc1nc2cc(CC(=O)NCc3cccnc3N3CCN(C)CC3)ccc2[nH]1 67447059 AOZPDWGPEHGXHE-UHFFFAOYSA-N 378.480 1.877 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc(N)n1 67975478 ZHVPRJQXXYRZMS-CYBMUJFWSA-N 379.424 1.261 0 50 GDAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1O 363618599 QDUWWVYVUSWUGP-KRWDZBQOSA-N 391.431 1.894 0 50 GDAA COc1nc(N2CCCCCC2)nc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)n1 366827017 UIBJQTCCLPUYLS-OAGGEKHMSA-N 377.489 1.627 0 50 GDAA C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1ccc(CNS(C)(=O)=O)o1 489484749 GKEVYNAZEQUYAX-GJZGRUSLSA-N 394.493 1.956 0 50 GDAA O=C(CCc1cc2n(n1)CCNC2)N1CCc2[nH]cnc2[C@H]1c1cccnc1 72447813 SZTHMKLAGRUJAO-HXUWFJFHSA-N 377.452 1.211 0 50 GDAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)[C@@H]2C3CCN(CC3)[C@H]12 72140443 BUBULEHBLDUMQW-GDIGMMSISA-N 396.447 1.187 0 50 GDAA CCc1nccn1CCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 72168938 HEXFHMUMIFCPJX-UHFFFAOYSA-N 378.436 1.566 0 50 GDAA C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1C 282470633 MJPDYYZOJYKVTC-GXTWGEPZSA-N 381.477 1.633 0 50 GDAA O=C(CCn1cnnn1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 72150916 GNPYXZSROHNHIT-FQEVSTJZSA-N 382.468 1.147 0 50 GDAA C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NCCNS(=O)(=O)c1ccn(C)c1 242038528 VLUXHOCWUFHDSL-YLJYHZDGSA-N 390.553 1.804 0 50 GDAA CN(c1ncccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 19146705 XMNCPJKEJXUJPY-HNNXBMFYSA-N 380.514 1.837 0 50 GDAA Cc1ncc(CO)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1O 426581298 QPABHUNPHUEZBA-UHFFFAOYSA-N 381.440 1.202 0 50 GDAA COc1ccccc1N1CCN(C(=O)COCC(F)(F)C(F)F)CC1=O 82115484 AGQQHWVWWHAVKW-UHFFFAOYSA-N 378.322 1.787 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)c(F)c1 49551098 RAOHYSQUNPQKDN-UHFFFAOYSA-N 396.378 1.796 0 50 GDAA CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1NS(C)(=O)=O 82087442 DBKVRBSTBVFWNV-UONOGXRCSA-N 380.919 1.534 0 50 GDAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1cccc(CN(C)C)c1)CC2 426380702 SNZXCSUQAJAUCG-IRFCIJBXSA-N 376.497 1.909 0 50 GDAA O=C(NCCN1CCOCC1)N1CCC([C@@H](O)CCc2ccccc2)CC1 426388607 XIVSRLLLOZBBPH-FQEVSTJZSA-N 375.513 1.734 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)NCCCN2CCC[C@H](O)C2)CC1 426421854 LOTJKHADJJILFG-SFHVURJKSA-N 375.517 1.064 0 50 GDAA COCCn1cncc1CNC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 96180741 AVTBYFRJPHTUAR-UHFFFAOYSA-N 379.804 1.836 0 50 GDAA Cc1nc(N(C)C)nc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)c1C 91551397 WWHXXKQHDBTBBC-SJORKVTESA-N 391.516 1.551 0 50 GDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1coc(CN3CCOCC3)c1)C2 97742705 FPGNIEJNGXYLJC-DOTOQJQBSA-N 375.469 1.585 0 50 GDAA Cc1ccn(CCC(=O)N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95391994 PBKVXOXILUFHPC-MRXNPFEDSA-N 382.472 1.361 0 50 GDAA CCOC(=O)CN1CCC2(CCN(Cc3cn(C)nc3C)CC2)[C@H](CO)C1 97155692 NDUPISVFOCRJPK-SFHVURJKSA-N 378.517 1.188 0 50 GDAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)c1c(C)cc(C)nc1O 253623829 OWIMEGQQOIBKIK-HNNXBMFYSA-N 399.447 1.734 0 50 GDAA biogenic CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)C1 252549981 RYBMTOOWDMSFHF-GASCZTMLSA-N 385.468 1.303 0 50 GDAA Cc1nccn1CCCNC(=O)c1cccc(-c2cnn([C@@H](C)C(N)=O)c2)c1 534575298 VZEBFZASXVZYGK-AWEZNQCLSA-N 380.452 1.921 0 50 GDAA COCCn1ccnc1CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 824466112 IQJOTTYPVUXIHY-UHFFFAOYSA-N 394.497 1.045 0 50 GDAA O=C(O)c1sc(Cl)cc1S(=O)(=O)NCCCN1CCC[C@@H](O)C1 670464644 TZOJOVIMWYCFFE-SECBINFHSA-N 382.891 1.225 0 50 GDAA CN1CCN(S(=O)(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)CC1 670450080 LLCNJAFTDYETPR-IBGZPJMESA-N 380.558 1.513 0 50 GDAA COc1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cc1C(=O)N(C)C 952861847 LGOANQPFCPFQRM-UHFFFAOYSA-N 386.433 1.807 0 50 GDAA Cc1nccn1CC(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 952971997 NHDAPAYPKSQYQK-SFHVURJKSA-N 390.509 1.550 0 50 GDAA Cc1ccn(C[C@](C)(O)C(=O)NC2CCN(C3CCCCC3)CC2)c(=O)c1 279372577 UEYAWJWLTGPWRD-NRFANRHFSA-N 375.513 1.821 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)cc2)C1 1506431466 LIYKTWZZSBITIX-LJQANCHMSA-N 383.558 1.962 0 50 GDAA O=C(/C=C/c1cc(CO)cs1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 1506398583 SGTXOVVOLLGKDZ-OWOJBTEDSA-N 398.550 1.411 0 50 GDAA CNC(=O)CCC(C)(C)NC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772810271 JXGVNBDLXBJKTR-ZDUSSCGKSA-N 394.541 1.506 0 50 GDAA CC(=O)NCC(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1 14535146 OIUPVPQBFSYPCB-QGZVFWFLSA-N 393.459 1.174 0 50 GDAA COCCNC(=O)c1cn(C2CCN(C(=O)c3ccc(F)cc3)CC2)nn1 15001807 UCGQNRWIQLCABL-UHFFFAOYSA-N 375.404 1.271 0 50 GDAA CC(=O)N1CCC(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn23)CC1 169778443 HWBOSPWGLRBXEA-UHFFFAOYSA-N 392.463 1.974 0 50 GDAA Cc1cc(C)c(C(N)=O)c(-c2cnn(CC(=O)Nc3c4c(nn3C)CCC4)c2)n1 200495173 MWTXIOFCARXCPD-UHFFFAOYSA-N 393.451 1.522 0 50 GDAA CCc1noc(CN2CCC3(CC2)CC(=O)N(Cc2coc(C)n2)CCO3)n1 1857688363 FRIYZBXZQDEMQQ-UHFFFAOYSA-N 389.456 1.712 0 50 GDAA O=C(Cc1ccsc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cccnc3)C[C@@H]12 1857705021 OTTWWVOWQXWJLO-BBWFWOEESA-N 391.518 1.099 0 50 GDAA CCSCC(=O)NC[C@H]1[C@H]2CN(CCn3ccc(C)n3)C[C@]23CC[C@H]1O3 1857705918 ANQHHZJPXWPRQB-DODZYUBVSA-N 378.542 1.540 0 50 GDAA CCc1c(C)nc2nc(=NC(=O)[C@@H](c3cccnc3)N3CCCC3)[nH]n2c1O 1875241056 NJEUMQHIFNQAPH-OAHLLOKOSA-N 381.440 1.293 0 50 GDAA NC(=O)Cn1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nn1 132007606 RGEHUQBRNDPACW-QMMMGPOBSA-N 388.375 1.259 0 50 GDAA COc1cc2nc(N[C@@H]3CCN(c4cnn(C)c4)C3=O)nc(N)c2cc1OC 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1.614 0 50 GDAA CN1CCN(C(=O)c2cncc(N3CCC[C@]4(CCc5c[nH]nc54)C3)n2)CC1 2356157823 SLTIMPCBUHIEAY-FQEVSTJZSA-N 381.484 1.072 0 50 GDAA COc1cnccc1-c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 2356158421 JSIODYHHTUCXBU-NVXWUHKLSA-N 376.434 1.299 0 50 GDAA COc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 4690283 DZKGGLVPYPIIFR-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA O=C(CCCc1cn[nH]c1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 102537429 MCSIFODBOBYKAK-UHFFFAOYSA-N 376.482 1.702 0 50 GDAA CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]32)[C@@H]14)[C@H]5[C@H]6OC 100473023 PEUHZLSMLRCFJM-JVJGGXFYSA-N 391.552 1.905 0 50 GDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 101280516 ACMZMELXZACUAL-MWRXHXJCSA-N 385.416 1.841 0 50 GDAA CN1CCC[C@]2(CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C2)C1=O 67840233 AEBBEMNPCANVJV-CQSZACIVSA-N 388.902 1.682 0 50 GDAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(CCC(F)(F)F)C1 72418656 PTIYGVMRZXSDKE-CYBMUJFWSA-N 375.439 1.904 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)Cc2noc3ccccc23)n1 328627386 MTPPWUJDMOGZLR-GXFFZTMASA-N 378.410 1.411 0 50 GDAA C/C=C(\CC)CN1CCN(C(=O)c2c(C)noc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72432592 RSWDFRBFSCMFLG-YLGAGNJQSA-N 381.498 1.571 0 50 GDAA CC1CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)c2cnn(C)c2)CC1 241644217 PPFVVBRDXGAQSS-UHFFFAOYSA-N 392.547 1.028 0 50 GDAA CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 332582190 GUVUBWMEDSUMFW-ZWKOTPCHSA-N 395.525 1.947 0 50 GDAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)o1 262834785 GESOLWMBFNMFPM-QWHCGFSZSA-N 378.406 1.128 0 50 GDAA Cn1cnc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1 132275628 UGEUBGXNLSLQRN-UHFFFAOYSA-N 382.424 1.886 0 50 GDAA CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)C1CCOCC1 14963048 FXQPZSQWMFSPPA-QGZVFWFLSA-N 397.878 1.807 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C(=O)O)CC3)n2)c(F)c1 49546364 LIJUZKDCHLKGNW-UHFFFAOYSA-N 389.383 1.381 0 50 GDAA O=C(c1cccnc1)N1CCN(CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 82121288 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CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCN(C)CC2)[C@@H]3C1=O 77503390 WTMKHBUTNXYQRZ-UGNRZPKXSA-N 375.513 1.369 0 50 GDAA CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 72441696 MGXIMKNKTMLYSL-VIFPVBQESA-N 379.533 1.107 0 50 GDAA Cc1nc2ccc(C(=O)N3CCC(Cn4cc(CO)nn4)CC3)cc2nc1C 48212333 MXSJVLJJWGERHG-UHFFFAOYSA-N 380.452 1.883 0 50 GDAA CCn1c(O)nc(=O)c2c(C(=O)NCC3(C)CCNCC3)cc(C(C)C)nc21 263339384 XDDLZIAJJGERLM-UHFFFAOYSA-N 387.484 1.760 0 50 GDAA CNc1ncc(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1 426373868 VGGMFAVBSHPRDQ-NRFANRHFSA-N 385.512 2.553 0 50 GDAA COc1ccc(C2(CNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CCCC2)cc1 426497427 VXHHXWXLGUQKMA-HNNXBMFYSA-N 398.463 1.238 0 50 GDAA CCN1CCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91943806 DPQVPEKSSRVKTI-KRWDZBQOSA-N 385.512 1.506 0 50 GDAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)CCCc1nc(-c2cccnc2)no1 96180613 WROQUHNHWCQKRB-INIZCTEOSA-N 382.380 1.388 0 50 GDAA O=C(C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)c1ccco1 95502652 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CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1=O 275275299 JQAYPUHVNCPZSW-CYBMUJFWSA-N 388.453 1.253 0 50 GDAA COc1ccc(SCC(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)cc1 276362913 IIBSBMFUEIVAOP-CQSZACIVSA-N 387.509 1.892 0 50 GDAA CC(=O)Nc1ccc(OC[C@@H](O)Cn2nnc(Cc3ccccc3C)n2)cc1 193397432 WKBRUUBAXKBQOG-SFHVURJKSA-N 381.436 1.971 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ncccc4Cl)CC3)cc2[nH]1 193388233 HZDVDZOKXBOQKM-UHFFFAOYSA-N 393.856 1.416 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1 753704956 LKDDCKBJUNSOFL-SJORKVTESA-N 376.478 1.671 0 50 GDAA COc1ccc(NC2(C(=O)N3CCN(C(C)=O)C[C@H](O)C3)CCCCC2)cc1 1506399576 HSYLBNMQQYDBRK-SFHVURJKSA-N 389.496 1.862 0 50 GDAA Cc1cc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)nc(-c2ccccc2O)n1 1529151147 GDVQKZJFYYSJII-CYBMUJFWSA-N 378.454 1.230 0 50 GDAA Cc1[nH]nc(CCC(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1C 1704353191 SQEYZHKDVJKWAX-GHTZIAJQSA-N 385.464 1.866 0 50 GDAA COc1cccc(C(=O)N2C[C@@H]3CN(CC(=O)O)C[C@]3(CCC(=O)O)C2)c1 1772709210 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COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1F 1857716568 DCBPUFQPXLVONC-ROUUACIJSA-N 376.432 1.712 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4C[C@@H](O)[C@H](CC(=O)O)C4)CC3)nc2n1 1857724101 MBHJXHXOEIBDED-ZIAGYGMSSA-N 388.424 1.042 0 50 GDAA O=c1cc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc2sccn12 1857736218 FOCOARPLPLTJAB-QQTQMKHKSA-N 383.473 1.325 0 50 GDAA Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4c(C)ncn4C)[C@H]4CC[C@]3(C2)O4)c1 1875244903 ZWLFTTYIRQVOOQ-BIZBXSGISA-N 381.480 1.846 0 50 GDAA O=C(c1ccco1)N1CCN(C/C=C/c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247795616 CGHOKOBPJYQZPE-PGHYUYILSA-N 386.473 1.916 0 50 GDAA COc1ccc([C@@H](C)C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 378531187 SWUFYPHSKDKSTH-OAHLLOKOSA-N 380.510 1.520 0 50 GDAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cc1cnnn1C 952893064 HDUSMZUCYAFZCK-IBGZPJMESA-N 394.479 1.819 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccn3nncc3c2)CC1 1875294800 XOAVUODWWBIBPL-UHFFFAOYSA-N 393.403 1.949 0 50 GDAA C[C@@]1(CO)CCN1C(=O)Cc1c(Cl)cccc1C(=O)N1CC[C@]1(C)CO 1875396667 QKXJKJGOLRKYHA-RBUKOAKNSA-N 380.872 1.463 0 50 GDAA COCC(=O)N1CCN(C(=O)NCc2cccc(C)c2)CCC12CCOCC2 1775961195 GEWOYJXTFYMOOH-UHFFFAOYSA-N 389.496 1.935 0 50 GDAA Cc1cccc(-n2ncc(C(=O)N3[C@H]4CCO[C@H]4C[C@@H]3C(=O)N(C)C)c2C)c1 1775960968 NEDZWCJSUSKNON-OTWHNJEPSA-N 382.464 1.949 0 50 GDAA C[C@]1(CNC(=O)N2C[C@@]34CCCC[C@@]3(C2)CS(=O)(=O)C4)C[C@H]2CC[C@H]1O2 2325768518 QFPYEKAFBDVVOG-POGZOPGASA-N 382.526 1.944 0 50 GDAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)CC1 785555 DYVIMRSYVHPQGN-UHFFFAOYSA-N 396.509 1.871 0 50 GDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1cnc[nH]1 2356151121 SKNMLDRLGUAQMT-STQYRHOTSA-N 390.447 1.211 0 50 GDAA COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1 6680856 ZGTPNPGKZCXSJI-UHFFFAOYSA-N 396.490 1.708 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c[nH]1 67713358 SFETYAKMAOOCIT-QGZVFWFLSA-N 375.517 1.253 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67850104 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396.553 1.667 0 50 GDAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1 1506420730 CDLSAGTZILIMQD-INIZCTEOSA-N 389.452 1.958 0 50 GDAA O=C(NCCC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1)c1ccc(F)cc1 1529138430 ABOVXXMJLLAILI-QZTJIDSGSA-N 375.444 1.267 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(Cc2cnn(C)c2C)CC1 1529158541 GAPZSIQNUXJLSZ-KRWDZBQOSA-N 377.489 1.384 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C)CC3)C2)OCC(=O)N1C 1529199004 SDQOUIQNCCZKQD-UXHICEINSA-N 385.508 1.838 0 50 GDAA O=S(=O)(N1CCCCCC1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209776414 QERYZAQUFVBOGS-CVEARBPZSA-N 382.482 1.686 0 50 GDAA CN(C)C(=O)CN1CC2(CCN(c3ccnc4ccccc34)CC2)OCCC1=O 1704303653 NDRSAHSIBUIGEU-UHFFFAOYSA-N 396.491 1.911 0 50 GDAA CCc1ccccc1NC(=O)N1C[C@@H]2CN(Cc3ncnn3CC)C[C@]2(CO)C1 1772809969 BFODXKZSYVNJHC-LAUBAEHRSA-N 398.511 1.819 0 50 GDAA CCOCCNC(=O)[C@@]12CCCN(C)[C@H]1CN(C(=O)Cc1cccnc1)CC2 1775982385 LCJUYYPVUMQMFY-GHTZIAJQSA-N 388.512 1.090 0 50 GDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)c3cnsn3)C2)c1 11843555 BWUCGWWTWPUUAY-LBPRGKRZSA-N 390.465 1.838 0 50 GDAA COc1cc(CNCC2CCOCC2)ccc1OC[C@H](O)CN1CCOCC1 12463783 TYCOWSYMWSUDTD-LJQANCHMSA-N 394.512 1.283 0 50 GDAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2cccc(-n3cccn3)c2)CCC1=O 12702766 JFOVONKEYUZMQH-GOSISDBHSA-N 383.496 1.631 0 50 GDAA Cc1nc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCc3cc[nH]n3)C2)cs1 1857685529 WVHFZXZQSSMXKP-KBXCAEBGSA-N 388.497 1.218 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCc3nc(C)[nH]c3C2)C[C@H]1NS(C)(=O)=O 1857694736 VLKFLYRCYUBVKK-YSVLISHTSA-N 398.529 1.116 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@H]1NC(=O)C1(C)COC1 1875249418 RHJDZLYMKCDNIO-RRFJBIMHSA-N 378.473 1.143 0 50 GDAA COc1cc2ncn(CCCC(=O)N3CCC[C@H]3C(=O)O)c(=O)c2cc1OC 262718174 TYDQEVNLMBCBJF-AWEZNQCLSA-N 389.408 1.270 0 50 GDAA NC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(N3CCCC3=O)ccc1F)C2 1875394256 ASZYHZVUEBKPBI-JJMVLAAESA-N 398.394 1.668 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3ncc4c(n3)CCCC4)C2)n1 1875397766 NBTVAFZQZQKCRY-OAHLLOKOSA-N 381.484 1.813 0 50 GDAA O=C1NC[C@H](CN2CC[C@H](NC(=O)c3nccc4c3[nH]c3ccccc34)C2)O1 1875322539 WAHKRDXDTVFTIS-QWHCGFSZSA-N 379.420 1.629 0 50 GDAA Cc1nc(C(=O)N2CCOCC(F)(F)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403757 AQDLHODPNVUFRP-CQSZACIVSA-N 383.443 1.341 0 50 GDAA COCCN(c1ncnc2c1ncn2CC1(CO)COC1)[C@@H]1CC[C@H](C)C1 888097185 DJMTTZLQEHTXQD-LSDHHAIUSA-N 375.473 1.477 0 50 GDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CCc2ccccc2F)CC1 888103362 FBBAZUDKZBTSOR-PMACEKPBSA-N 388.487 1.847 0 50 GDAA CN1CCN(C(=O)c2cc(NC(=O)NCc3c(C4CC4)cnn3C)ccn2)CC1 888101751 FEOQUWLDSSMACP-UHFFFAOYSA-N 397.483 1.402 0 50 GDAA C[C@@H](CCNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1nnc2ccccc2n1 1775997556 HOYMZLJNNRRMKK-ZDUSSCGKSA-N 393.451 1.424 0 50 GDAA CC(=O)NC[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)C[C@H]1c1cncn1C 2325773049 LXMSGGWVQVYICL-WOJBJXKFSA-N 395.507 1.157 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cccc2sncc12 2325875061 FJSSOBVOMNQGOC-VVHFOWEKSA-N 394.474 1.837 0 50 GDAA C[C@H](Cc1nn[nH]n1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325876410 UMBHGUDOJNKWOT-RDTXWAMCSA-N 390.447 1.514 0 50 GDAA Cc1cc[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)C[C@H]3CCN(C)C3)c3nccn32)C1 2332238105 ZHPZPCCNXCIWTA-HZPDHXFCSA-N 396.495 1.274 0 50 GDAA COc1ccc(-c2ccc(C(=O)O)c(N3CCO[C@H](c4nnn(C)n4)C3)n2)cc1 2356147706 KYINDQADXNXSAE-INIZCTEOSA-N 396.407 1.557 0 50 GDAA COc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)c(OC)c1 2995381 BBBNIFZEEYUDND-UHFFFAOYSA-N 383.404 1.627 0 50 GDAA O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccco2)CC1 3358603 KMXFCPIKFNLICW-UHFFFAOYSA-N 395.415 1.640 0 50 GDAA COc1ccc(CNCC(N)=O)cc1OC[C@@H](O)CN(C)Cc1ccccc1 55182997 OVZDPCYENAGOCU-SFHVURJKSA-N 387.480 1.142 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN3CCCn4nc(C)cc4C3)C2=O)c1 67742437 WEPBPEBZVDQFDO-QFIPXVFZSA-N 398.507 1.960 0 50 GDAA CCn1c(CC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nn(C)c1=O 67834247 YBUUASRNVYVESI-QGZVFWFLSA-N 386.452 1.223 0 50 GDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1c(Cl)cccc1Cl 67974209 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ICODVEGFFDYZGE-MOPGFXCFSA-N 387.505 1.958 0 50 GDAA CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CC1=O 95359437 PGVKTXULVBEIJD-CQSZACIVSA-N 396.894 1.538 0 50 GDAA CNc1ncc(C(=O)N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cn1 91476905 YPWKAFAKNONMTJ-UHFFFAOYSA-N 394.479 1.958 0 50 GDAA O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)N1CCOCC1 239203272 SBJRNAWSEXDNBF-KOUJMVCDSA-N 378.428 1.717 0 50 GDAA CO[C@H]1CCCOC12CCN(C(=O)c1cc(S(N)(=O)=O)ccc1C)CC2 95387387 DAEBEVABXXIREP-INIZCTEOSA-N 382.482 1.443 0 50 GDAA CN1CCN([C@H]2CCCCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)CC1 179673919 DLFIIDGMPLEWGG-AWEZNQCLSA-N 387.937 1.108 0 50 GDAA CCc1nc2ccccc2n1CCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C)C1 244774227 PPYMKCCHGATSHU-HDJSIYSDSA-N 382.468 1.672 0 50 GDAA O=C(C[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCCN1CCOCC1 252523276 CGILFCPKGYOFCZ-QGZVFWFLSA-N 396.447 1.308 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 614659958 LJGLGAVKJHXSAT-AWEZNQCLSA-N 377.408 1.353 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCSC 59379782 RYWLSRZGQZXVDU-BIENSFFJSA-N 377.510 1.378 0 50 GDAA CN1CCC[C@H](CNC(=O)c2cc(N)cc(S(=O)(=O)NC(C)(C)C)c2)C1 299800389 SDNWNIBBZQIEMA-CYBMUJFWSA-N 382.530 1.417 0 50 GDAA Cc1nc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cs1 299771337 YKPYCOUWEQNSRJ-MRXNPFEDSA-N 392.525 1.426 0 50 GDAA Cc1cc(C)c(C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)c(C)c1 299802689 VUJWPMHEDJALOD-UHFFFAOYSA-N 376.482 1.514 0 50 GDAA Cc1cccc(=O)n1CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 584897732 MQFMJWNUYDAGSE-GOSISDBHSA-N 386.427 1.569 0 50 GDAA O=C(Nc1ccc(I)cc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239302548 FKOFLTTVBNVPTE-KKOKHZNYSA-N 385.157 1.884 0 50 GDAA Cc1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)ccc1C(N)=O 1443622792 YDVOLQUBYBFWCB-YJBOKZPZSA-N 399.422 1.376 0 50 GDAA O=C(NCCCN1CCOCC1)c1cc(F)ccc1NC(=O)N1CCCC1 888090870 YCKQMGOUYABSDT-UHFFFAOYSA-N 378.448 1.906 0 50 GDAA COC(=O)c1c(NC(=O)CN2CC[C@H](NC(N)=O)C2)sc2c1CCCC2 270634276 MAZDCCFXQJTEEQ-JTQLQIEISA-N 380.470 1.095 0 50 GDAA Cc1ccc(C(=O)NC2CCN(C(=O)NCc3cc(C(N)=O)co3)CC2)s1 188036200 LRQKTLJFGSWVNO-UHFFFAOYSA-N 390.465 1.852 0 50 GDAA Cc1cnccc1N1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 1529158637 HHQFHOMLPXDWEO-UXHICEINSA-N 380.448 1.295 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CC(=O)N[C@@H](C)C2)cc1 1704312038 XPOQXLCMMQJQKD-ZDUSSCGKSA-N 384.436 1.911 0 50 GDAA O=C(NCCSc1cn[nH]n1)c1cn(Cc2ccc(F)cc2Cl)nn1 12443253 SHAHAXFQKDDTET-UHFFFAOYSA-N 381.824 1.759 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)ccc21 13717390 JKXZLOUTIVFZTF-UHFFFAOYSA-N 392.415 1.892 0 50 GDAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14537403 VDSJEXJVHFURNO-OLZOCXBDSA-N 399.394 1.274 0 50 GDAA Cc1ccc2nc(CN3CCN(CCO)CC3)nc(N3CCSCC3)c2c1 19837856 CRRFOCSLQJEOFD-UHFFFAOYSA-N 387.553 1.601 0 50 GDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2cnccn2)CC1 1857680418 MVVODZKSDKBIQM-SFHVURJKSA-N 386.427 1.891 0 50 GDAA N=c1cc(-c2nccn2-c2ccc(OC[C@H](O)Cn3ccnc3)cc2)cc[nH]1 1857687282 ODCXLOYWDFOYIZ-QGZVFWFLSA-N 376.420 1.983 0 50 GDAA O=C(c1nc2ncccn2n1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857697545 COFSTDYKIWPARW-LJQANCHMSA-N 378.392 1.014 0 50 GDAA CN(C)C(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)Cn1ccccc1=O 1857699367 SLEQPRSMRMFILG-YCRNBWNJSA-N 393.487 1.929 0 50 GDAA CC(C)CCC(=O)N1CCC([C@@H](O)CN2CCN(c3ncccn3)CC2)CC1 1857725785 MXOADZRYGBSHJL-IBGZPJMESA-N 389.544 1.634 0 50 GDAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc(S(N)(=O)=O)c1C 1857726328 LXVGTMHCYPGMMZ-NVXWUHKLSA-N 389.477 1.021 0 50 GDAA Cc1cnc(CN2C[C@@H]3[C@H](CNC(=O)CN4CCCCC4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857738001 MVLJDFUYMIESFF-XKGFGPFHSA-N 387.528 1.300 0 50 GDAA COc1ccccc1[C@H](C)Cc1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1 328625742 DMBSIDRUJJPNPN-DOMZBBRYSA-N 381.454 1.757 0 50 GDAA CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 242498634 HKQZUYOVMYOFIT-SLFBOLIQSA-N 377.525 1.251 0 50 GDAA biogenic C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)CSCc1cc(=O)n2ccsc2n1 263266064 VLIUIXNXDSUDPQ-WDEREUQCSA-N 381.479 1.701 0 50 GDAA CNc1cc(N2CCC[C@H]2CNc2ccc(C(=O)NCCOC)cn2)ncn1 266402034 PMTKSQJQBKMQGE-HNNXBMFYSA-N 385.472 1.370 0 50 GDAA CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc2c(=O)n(CC)c(O)nc2c1 1875359457 DQXNNPXJILSBOJ-FZMZJTMJSA-N 377.372 1.238 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc(C)c(C(N)=O)s3)CC2)C1 1875385545 VUELQISFELFXBQ-CQSZACIVSA-N 390.509 1.681 0 50 GDAA Cc1cccc2c1CCN2C(=O)c1ccc(NC[C@@H](O)CS(C)(=O)=O)nc1 1875360509 CBCNBIRVZAKWIZ-OAHLLOKOSA-N 389.477 1.410 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)C1(n2ccnn2)CC1 1875402554 HCBHZEJUBXQANQ-CGTJXYLNSA-N 392.463 1.587 0 50 GDAA C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H](O)CN1CCCC1=O 1319680542 OCQHWJHBUJMJOH-NWDGAFQWSA-N 379.507 1.876 0 50 GDAA C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)CN1CCCC1=O 1319680543 OCQHWJHBUJMJOH-RYUDHWBXSA-N 379.507 1.876 0 50 GDAA COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 20051539 KDGUXEZCRXGABE-MRXNPFEDSA-N 378.860 1.368 0 50 GDAA NCc1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc4sccc4c3)C2)nn1 2325752353 MCMOJRKOVHUIBQ-OAHLLOKOSA-N 384.465 1.754 0 50 GDAA CCN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)CCC1=O 2325864153 HVXCRFHWWRJRLL-QZTJIDSGSA-N 399.491 1.601 0 50 GDAA CCn1nccc1C(=O)N[C@H]1CC2(CN(C(=O)c3ccns3)C2)n2ccnc21 2332237711 IJFOEYRXBFWVHA-LBPRGKRZSA-N 397.464 1.282 0 50 GDAA Cn1ccc(CC(=O)N2CC3(C[C@@H](NC(=O)[C@@]4(C)C=CCC4)c4nccn43)C2)n1 2332238081 XYZCAFOQLUNIPR-UZLBHIALSA-N 394.479 1.314 0 50 GDAA Cn1c(=O)c2c(nc(N3CCCCC3)n2CC(=O)c2ccccc2)n(C)c1=O 707150 JKUIACWEVNFLDE-UHFFFAOYSA-N 381.436 1.307 0 50 GDAA biogenic O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1cccnc1 983043 CYIJPKHJNKPZLV-UHFFFAOYSA-N 384.255 1.439 0 50 GDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1 1134788 VMNODDBQWFIWMT-UHFFFAOYSA-N 385.445 1.180 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@]2(CNCC[C@@H]2O)C1 2356158200 FHNPGRJUTZUHGI-UNMCSNQZSA-N 382.508 1.995 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)N(C)Cc2cc[nH]n2)CC[C@H]1N=c1[nH][nH]c(=N)s1 2356161897 OHQXJQUGCWETIX-IACUBPJLSA-N 393.517 1.130 0 50 GDAA COc1ccccc1CONC(=O)c1nc(S(C)(=O)=O)n2ccccc12 225625368 VOOFIZHCUAWABR-UHFFFAOYSA-N 375.406 1.608 0 50 GDAA O=C(c1c[nH]c2ncnn2c1=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 102261764 OCHXMXHVJCUTQR-CQSZACIVSA-N 381.440 1.434 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 67755390 PNCNCDALLRCRRV-QGZVFWFLSA-N 381.454 1.002 0 50 GDAA Cc1ccc(Cl)cc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O 248057755 CFXSYGXAJUBVME-LZWOXQAQSA-N 399.900 1.994 0 50 GDAA CCCCN1CCN([C@@H](C(=O)N2CCCOCC2)c2ccccc2)C(=O)C1=O 77376714 WNSIYZFYWFGBQN-GOSISDBHSA-N 387.480 1.448 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1c1ncc[nH]1 328631243 QRDHJPIKRGUPET-LBPRGKRZSA-N 389.403 1.891 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)NCc4ccon4)nc3c(=O)n2C)cc1 72480121 BHADOBSYZBBQCV-UHFFFAOYSA-N 379.376 1.627 0 50 GDAA Cc1cc(N)n(CC(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 72146142 NCMNOYWBJOYRSF-CYBMUJFWSA-N 382.390 1.973 0 50 GDAA CCN(CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 363339350 VHJIQTQMSFBDMU-SJORKVTESA-N 387.480 1.963 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)on1 77489045 WCPNHIXMEVZJPE-UHFFFAOYSA-N 378.473 1.862 0 50 GDAA CN(C)c1cc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)ncn1 71768016 NSSOCWPEWYJQFU-UHFFFAOYSA-N 379.468 1.860 0 50 GDAA O=C(Cc1ccccc1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71763531 AFRMQNVYWQOAGG-FQEVSTJZSA-N 399.535 1.791 0 50 GDAA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCN(CC(=O)O)CC1 283017406 PCZJYTNAGBAGSE-UHFFFAOYSA-N 380.388 1.841 0 50 GDAA O=C(NCCCn1ccnc1)C(=O)NCc1cc(Cl)ccc1OC(F)F 283513769 IJBDQUCXMUISDK-UHFFFAOYSA-N 386.786 1.961 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCC(=O)NC3CC3)csc2C1 426438862 LVJQEXUIPLZTIN-UHFFFAOYSA-N 388.493 1.920 0 50 GDAA CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 19632834 GBBSUAFBMRNDJC-INIZCTEOSA-N 388.815 1.568 0 50 GDAA biogenic,fda OC1CCN(C[C@H](O)COc2cccc(CN3CC(c4ccccn4)C3)c2)CC1 95499975 COVRBTLDGLKASC-NRFANRHFSA-N 397.519 1.877 0 50 GDAA COc1cc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)nc(N)n1 91586499 QOLUVKWRHHZPOS-FQEVSTJZSA-N 382.468 1.872 0 50 GDAA CC1CCN(Cc2nnnn2CCCC(=O)NCc2nnc3ccccn23)CC1 95510040 OYWFFWGWFKESKY-UHFFFAOYSA-N 397.487 1.044 0 50 GDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)[C@H]1CCOc3ccccc3C1)C2 95509831 RIEPASGNLGRCNM-INIZCTEOSA-N 382.464 1.877 0 50 GDAA Cc1nc([C@@H](C)N(C)C(=O)CCn2nnnc2CN2CCOCC2)c(C)s1 23338043 SFQDWUOQCLQFPO-GFCCVEGCSA-N 393.517 1.188 0 50 GDAA O=C(Nc1cccc(OC(F)(F)F)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 97553286 ZJTIIJPBWVTAPP-KBPBESRZSA-N 375.347 1.494 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)CCn3nnnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95524923 NRGSEUJQFHBZEM-CEWLAPEOSA-N 396.495 1.469 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)no1 95529462 GZUWWZIOOMDORK-ZDUSSCGKSA-N 381.396 1.450 0 50 GDAA COCCn1c(CN2CCC(N3CCCCC3)CC2)nnc1[C@H]1C[C@H](N)C1 240971681 UBAAFMPLSDUCMB-QAQDUYKDSA-N 376.549 1.580 0 50 GDAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cn2cnnn2)cc1 252537033 KEUNMCWCGDVMPZ-UHOSZYNNSA-N 378.436 1.228 0 50 GDAA Cn1c(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21 263588049 OLPUFRROGIPCDT-AWEZNQCLSA-N 381.392 1.293 0 50 GDAA Cc1ccccc1CC(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299793922 HQZPGJJWNOPDDV-NRFANRHFSA-N 399.535 1.898 0 50 GDAA O=S(=O)(N1CCCC1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 828388629 QKBFAOBQJFLGPD-UHFFFAOYSA-N 398.598 1.802 0 50 GDAA COc1cccc(CCN(Cc2ccc(F)cc2)C(=O)Cn2[nH]nnc2=N)c1 952963001 GXWBDMAUFWLAHN-UHFFFAOYSA-N 384.415 1.505 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1NS(=O)(=O)N(C)C 1565528606 GVSRLDRGFHKHGB-PBHICJAKSA-N 378.498 1.661 0 50 GDAA CCc1nc(CN2CCc3nc(N(C)C)nc(N4CCC(O)CC4)c3C2)no1 1506420815 AZEOVFGYCAOKLN-UHFFFAOYSA-N 387.488 1.007 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 1506420778 CMBBQPPSIYKYRA-CYBMUJFWSA-N 384.477 1.827 0 50 GDAA O=C(C1CCNCC1)N1C[C@H]2COC[C@@H](C1)CN2Cc1ccccc1Cl 1704312291 OUCYCDOBZFQVNG-QAPCUYQASA-N 377.916 1.999 0 50 GDAA Cc1nc[nH]c1CN(CCO)C(=O)[C@@H](CC(C)C)NC(=O)c1cccs1 1704316671 ZNIBCXDNWPGMSY-CQSZACIVSA-N 378.498 1.945 0 50 GDAA CCOC(=O)N1CCC(N2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)CC1 11820935 MESNDMMXEVYBIV-WOJBJXKFSA-N 390.528 1.612 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N(C)Cc3nonc3C)CCC2=O)cc1 11874314 ASLFWBAXGHDQQI-MRXNPFEDSA-N 386.452 1.826 0 50 GDAA COc1ccc(/C=C/C(=O)NCc2nnc(SCCN(C)C)n2C)cc1 12278372 QWCJVHQLHRBOMK-JXMROGBWSA-N 375.498 1.807 0 50 GDAA Oc1n[nH]c(Cn2ccnc2-c2ccccc2OCCCCN2CCOCC2)n1 1857696853 OKBPNBKPOXUKSI-UHFFFAOYSA-N 398.467 1.913 0 50 GDAA CCn1cnnc1CCNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857700813 IBUGZZAHMIKFHA-CQSZACIVSA-N 383.456 1.800 0 50 GDAA COc1nc2c(cc1-c1nccn1C[C@H]1CC(=O)N(C)C1)C(=O)N(C(C)C)C2 1857701384 PVEGROMDGZUULI-ZDUSSCGKSA-N 383.452 1.796 0 50 GDAA CNC(=O)Cc1nc([C@H]2CC[C@H](N)[C@@H](OC)C2)n(-c2ccc(F)c(Cl)c2)n1 1857714434 AETKYLJFGLLNPU-LKTVYLICSA-N 395.866 1.958 0 50 GDAA CN1CCN(C[C@H](O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 1857719132 DZGDNSZFZAWKJD-NRFANRHFSA-N 384.524 1.557 0 50 GDAA COc1ccc(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(OC)c1 1857727140 LWMZSUFRZSTWGW-CDXJDZJCSA-N 388.464 1.831 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCn4nccc4C3)CC2)cc1 1857737877 HODARZLECLGUIY-MRXNPFEDSA-N 388.493 1.287 0 50 GDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(Cc2cnc[nH]2)CCCN1 1875241179 QEBZPVXHKGCNQO-SFHVURJKSA-N 383.496 1.802 0 50 GDAA Cc1ccc(N2C[C@H](C(=O)N(C)CCNS(C)(=O)=O)CCC2=O)cc1C 1253749332 GIEJWPUGCGNBTD-OAHLLOKOSA-N 381.498 1.054 0 50 GDAA N[C@@H]1CC[S@@](=O)(=NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 1875292574 MOKCMNYOMHLTDL-BZQUYTCOSA-N 383.901 1.918 0 50 GDAA CC(=O)N1CC2(CCN(C(=O)c3conc3[C@@H]3CCCO3)CC2)[C@@H]2COC[C@@H]21 1875396742 UBWAQMUEYHUMDA-IKGGRYGDSA-N 389.452 1.626 0 50 GDAA O=C(c1cn(Cc2ccccc2)c2ccccc12)N1C[C@H](CO)O[C@@H](CO)C1 2325808263 LFNRGSXDZCONQE-QZTJIDSGSA-N 380.444 1.884 0 50 GDAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1079889 WESQDLZUOZPQBD-AWEZNQCLSA-N 377.441 1.938 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cn(-c3ccccc3)nn2)C1 2356157587 MIEKXPYWYKGYKZ-FQEVSTJZSA-N 375.436 1.590 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]23CCCN(C)C3=O)cc1 2356167415 ONBXMLCVELDCST-IBGZPJMESA-N 393.509 1.602 0 50 GDAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(CC2CC2)CC1 23340083 IXSLJARTFAUJPE-UHFFFAOYSA-N 384.436 1.952 0 50 GDAA CS(=O)(=O)N[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 116889654 HNOLLHKRFUHUHK-MJGOQNOKSA-N 379.526 1.658 0 50 GDAA CCN1CCN(C[C@@H](O)COc2ccc(CN3CCCC3)cc2OC)CC1 20919195 BFQUDQVJIUJMIL-LJQANCHMSA-N 377.529 1.668 0 50 GDAA CN(CCN1CCCCC1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 22913223 LMHDSHVVRKOJDW-QGZVFWFLSA-N 384.546 1.383 0 50 GDAA CCN(CC)CCNCc1ccccc1OC[C@H](O)CN1CCSCC1 20540713 BCCFHRRNGQELDK-LJQANCHMSA-N 381.586 1.907 0 50 GDAA COc1ccc(-n2nc(-c3ccccc3)nc2Cn2ccc(=O)[nH]c2=O)cc1 65492882 YIYQBZMZCIYWJV-UHFFFAOYSA-N 375.388 1.841 0 50 GDAA CCN1CCN(S(=O)(=O)Cc2noc3ccccc23)C[C@@H]1c1ncc[nH]1 328639678 WYWDURKHADKFCD-OAHLLOKOSA-N 375.454 1.760 0 50 GDAA Cn1cc(C2CCN(C(=O)CNC(=O)N3CCc4ccccc4C3)CC2)cn1 123338221 XGNLGYSFMBDBKN-UHFFFAOYSA-N 381.480 1.894 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 129387745 SUEWVPVAUBMJDY-HNNXBMFYSA-N 391.497 1.620 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(C)(C)C(=O)O)CO2 71422189 XEDHVCAMMYTGRH-CYBMUJFWSA-N 377.441 1.203 0 50 GDAA Cn1ccnc1CC1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 155174064 RKMXIYZJQKMMMW-GOSISDBHSA-N 387.480 1.981 0 50 GDAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1 71753665 VGYGUTAASKAPQL-GOSISDBHSA-N 389.496 1.891 0 50 GDAA NC(=O)c1nc(Cn2ccnc2-c2sc(N3CCCC3)nc2Cl)no1 77470878 KMZSREFHXDNXIN-UHFFFAOYSA-N 379.833 1.790 0 50 GDAA CS(=O)(=O)C[C@H](NC(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1 378264426 KNSDDUYEGWBKML-SJORKVTESA-N 392.481 1.970 0 50 GDAA CN1C(=O)[C@](CC(=O)NC(C)(CO)CO)(Cc2ccccc2)c2ccccc21 71738697 DKQMWFBFCNXNJK-QFIPXVFZSA-N 382.460 1.393 0 50 GDAA Cn1ncc(Cl)c1C(=O)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 215568645 PXOXNFBVESYDGH-UHFFFAOYSA-N 398.854 1.786 0 50 GDAA O[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1N1CCN(c2ncccn2)CC1 72418321 KDGXHYWWHVYYGL-IRXDYDNUSA-N 375.423 1.122 0 50 GDAA O=C(c1c[nH]c(=O)cn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71748989 PSPARZJMKIJOPN-UPRAQXHNSA-N 386.402 1.751 0 50 GDAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)C1 333217188 CTAPXHYYFPBWCE-IRFCIJBXSA-N 388.512 1.883 0 50 GDAA O=C(Cc1ccccc1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71763532 AFRMQNVYWQOAGG-HXUWFJFHSA-N 399.535 1.791 0 50 GDAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@@H](O)CS(=O)(=O)c1cccs1 263364521 LGBYZYFJIJYIFW-CYBMUJFWSA-N 398.462 1.080 0 50 GDAA C[C@@H](O)CNC(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 95505890 WMKDEXIBZUKMNP-OAHLLOKOSA-N 383.448 1.876 0 50 GDAA Cc1cc(C(=O)NCCn2ccc3ccccc32)c2c(O)nc(=O)n(C)c2n1 426431399 SWIROJIGMUMTTQ-UHFFFAOYSA-N 377.404 1.727 0 50 GDAA COc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1O 91519218 HHRKXCSSCKNAEX-AEFFLSMTSA-N 391.512 1.251 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2ccc(CCN)cc2)C1 95522003 QIHJUAIATSDMEV-LJQANCHMSA-N 379.512 1.941 0 50 GDAA CC1(C)CN(Cc2nnc(-c3cccnc3)o2)CC[C@@]1(O)CN1CCOCC1 91411968 MLWIPOMVSWOGGP-HXUWFJFHSA-N 387.484 1.427 0 50 GDAA COCCn1cnnc1CN(C)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 96161285 OATNRPJOYLUTDA-UHFFFAOYSA-N 387.419 1.972 0 50 GDAA COc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3cnccn3)CC1)C2 95502273 JNWIJMOWBWGCST-OAHLLOKOSA-N 382.464 1.931 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(CC)cc2)CN1C(=O)CSC 96153082 QJCUAKGTOXUERQ-HOTGVXAUSA-N 377.510 1.447 0 50 GDAA Cc1cc(N2CCC(NCc3n[nH]c(N)n3)CC2)nc(-c2ccccc2O)n1 95525102 MISVMRVXIQXEAQ-UHFFFAOYSA-N 380.456 1.617 0 50 GDAA COCCc1noc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 92002029 QCMAKFZTXOWJDP-MRXNPFEDSA-N 392.500 1.642 0 50 GDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(CCN2CCCC2=O)CC1 96152036 LCCNAZNHLPTQMR-UHFFFAOYSA-N 385.516 1.653 0 50 GDAA COc1ccc(OCCCN)c(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)c1 299792013 DVJJNFADGVBXDF-CABCVRRESA-N 375.469 1.506 0 50 GDAA O=C([C@@H]1CCCN1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940198169 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CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2 426434035 JYIKZKPUMXNHQZ-DLBZAZTESA-N 385.464 1.163 0 50 GDAA CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3[C@@H]2C(=O)N(CCCC)C(=O)[C@@H]21 239287358 CQTGTFWTWVGWGS-ARPMDMGNSA-N 384.476 1.851 0 50 GDAA O=C(Cc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 91997693 WTRYZHZYBBSCCX-QZTJIDSGSA-N 380.916 1.654 0 50 GDAA CC(=O)c1cccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c1 244872824 WFBRPVVKISBVTL-QAQDUYKDSA-N 378.436 1.939 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C(=O)O)CC2=O)cc1OC 299751486 QQQVFWZYSCAOLM-GXTWGEPZSA-N 376.409 1.522 0 50 GDAA NC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1N1CCOCC1 584904482 SLDVGYUOIPCHNG-MWDDYTRKSA-N 385.420 1.084 0 50 GDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 952963151 HWXBSKKINNAZJT-HNNXBMFYSA-N 388.511 1.112 0 50 GDAA COCCn1cncc1CN1CCOC2(CCN(Cc3cnc(C)[nH]3)CC2)C1 952969995 QYIZANMRYSYOPN-UHFFFAOYSA-N 388.516 1.428 0 50 GDAA O=C(c1ccco1)N1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)CC1 952976034 PWTYHSQHQWYAKP-UHFFFAOYSA-N 396.440 1.975 0 50 GDAA COCc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)s1 1565515312 XAAGPZWDLGKQHT-HOTGVXAUSA-N 379.482 1.865 0 50 GDAA C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1nnc(C3CC3)o1)C2=O 170607725 CFWQWCGURCEDNN-WLRWDXFRSA-N 389.456 1.700 0 50 GDAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 186122486 UWGNRPRNZVECRJ-ZDUSSCGKSA-N 391.415 1.290 0 50 GDAA CN1CCCN(c2cnn(CC(=O)N[C@H]3C[C@@H]3c3ccccc3)c(=O)c2)CC1 1614309275 CVCDBPLLRCTYGL-MOPGFXCFSA-N 381.480 1.058 0 50 GDAA O=C(C[C@H]1CCCOC1)NCC1CCN(C(=O)Cn2ccc(=O)cc2)CC1 1506399934 RLAXHKQFYMTLSL-QGZVFWFLSA-N 375.469 1.020 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 1704302115 CXTQXWQVAZHREC-DZGCQCFKSA-N 394.449 1.708 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3CCN(C)C4(CCOCC4)C3)CC2)c1 1775981037 GYAOVZKVVVVAKM-UHFFFAOYSA-N 386.540 1.440 0 50 GDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4OC)c3)CCN2C1=O 14745766 ITCJNKRLJVEENO-FUHWJXTLSA-N 397.479 1.192 0 50 GDAA COCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)o1 14881466 JNXXXURVIHUZHZ-CQSZACIVSA-N 375.473 1.909 0 50 GDAA O=C(NCc1nnc2n1CCN(C(=O)CCC1CCCC1)CC2)[C@@H]1CCOC1 14885289 VJONHFYGIHZVRC-MRXNPFEDSA-N 389.500 1.286 0 50 GDAA Cc1cccn2c(CNCCc3ccccn3)c(C(=O)N3CCOCC3)nc12 19595417 DYNQSAPIDXMAII-UHFFFAOYSA-N 379.464 1.842 0 50 GDAA COc1ccccc1/C=C/CN1C[C@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 19840331 GDGXWXDWMOTJIZ-VYYWRQCMSA-N 394.519 1.971 0 50 GDAA COC1(C)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1857529073 OGEYQRHBDAHFMV-MRXNPFEDSA-N 375.517 1.875 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)ccc1Cl 1857669093 SNNQTPHMSHSSDW-ZUZCIYMTSA-N 375.830 1.058 0 50 GDAA Cn1nccc1CCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1ccccc1F 1857693707 IVCJQEAUQCPYKL-OALUTQOASA-N 384.455 1.936 0 50 GDAA CN1CCC[C@@H]1CC(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857694633 STKFRIKEQMUCDZ-GOSISDBHSA-N 377.529 1.881 0 50 GDAA CN(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H](NC(=O)C3CCOCC3)C2)cn1 1857696107 MVEPIGOQFATUFM-QAPCUYQASA-N 388.512 1.979 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N(C)CCn3cnc4ccccc43)CC2=O)s1 1857722528 KQYSQPVXHFRRJJ-CYBMUJFWSA-N 398.492 1.962 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccnc2C(F)(F)F)[C@H]1c1cnn(C)c1 1857722922 PPERNGDMBWCEKV-GJZGRUSLSA-N 397.401 1.978 0 50 GDAA COc1ccnc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1 1857726430 QKTBTKKJMUBSRS-PMACEKPBSA-N 399.495 1.892 0 50 GDAA COCCOc1ccc(S(=O)(=O)N2CCO[C@H](c3nnc(C)o3)C2)cc1 328609715 FPRGCLKXCDUADX-HNNXBMFYSA-N 383.426 1.165 0 50 GDAA COc1cc(OC)c(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)cc1Cl 263499132 SFKMTMUGJZPRLU-NGZCFLSTSA-N 375.830 1.983 0 50 GDAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(=O)n(C)o1 952888379 XLXJVTLBNXZVGF-NSHDSACASA-N 388.346 1.568 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN=c2ccc3cc(Cl)cnc3[nH]2)ncn1 1875398838 GTRLUSULVVESQH-ZIAGYGMSSA-N 385.859 1.589 0 50 GDAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@H]1CCCO1)c1cnc(O)c2ccccc12 1875332163 IRPVBJDOLQUOBL-FCRVUTKVSA-N 381.432 1.981 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4cnccc4[nH]3)C2)n1 1875396801 CEXWXPZHZPNEGQ-OAHLLOKOSA-N 379.468 1.698 0 50 GDAA CN1CC[C@@H](c2nc(C[C@H]3CC4(CC4)CO3)n(-c3nc4ccccn4n3)n2)C1 1875341552 XPLYYTKMQJOYRL-CABCVRRESA-N 379.468 1.841 0 50 GDAA CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc3c(c2)CNC3=O)s1 1875320790 LBNYRZHZNBVQQJ-UWVGGRQHSA-N 387.465 1.737 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cccc2c1OCCN2 1875402258 CZOMSMHEUSZZKZ-IUIKQTSFSA-N 376.844 1.910 0 50 GDAA C[C@@]1(CNC(=O)N2C[C@]34CCCC[C@]3(C2)CS(=O)(=O)C4)C[C@H]2CC[C@H]1O2 2325768519 QFPYEKAFBDVVOG-PTGCCPEKSA-N 382.526 1.944 0 50 GDAA Cc1ccc(CNC(=O)C(C(=O)NCc2ccc(C)cn2)[C@H]2CCOC2)nc1 2325797275 UIRCGXCVIJXLEA-INIZCTEOSA-N 382.464 1.679 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1=O 2356137957 CCIWYHMXGJFLIR-OAQYLSRUSA-N 395.463 1.782 0 50 GDAA O=C(c1n[nH]c(-n2cnnc2)n1)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356148142 JGEFBFHUQNMMIY-ZBQZNYHESA-N 379.424 1.145 0 50 GDAA CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC[C@H]2CCCO2)cc1C 4938276 FKHIMKNCZLBYJI-OAHLLOKOSA-N 384.498 1.700 0 50 GDAA COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6699500 ZAVGSGZSWLWZJG-UHFFFAOYSA-N 380.491 1.832 0 50 GDAA OCC[C@H]1CN(c2nccc(N3CCC(O)CC3)n2)CCN1C1CCCC1 106988477 OJWKGWVDLNGAGR-KRWDZBQOSA-N 375.517 1.253 0 50 GDAA CN1CCC[C@@H]1CNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67714026 IVNRIWRLPDXWRQ-LJQANCHMSA-N 397.523 1.816 0 50 GDAA Cc1cnn([C@@H](C)CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)c1 67742915 UZYDYUNRVFWCOU-JTQLQIEISA-N 384.483 1.136 0 50 GDAA CN1CCN(C(=O)[C@H]2C[C@@](C)(C(=O)O)N(C)[C@H]2c2ccccc2Cl)CC1 67894083 JUFPGGVNGOSFFP-QOKNQOGYSA-N 379.888 1.950 0 50 GDAA CCn1nnnc1-c1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 137405903 FZVXUWCZDMMMTI-GDBMZVCRSA-N 383.456 1.883 0 50 GDAA COC(=O)CNC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409414946 ZQRMDYULTCYQSN-INIZCTEOSA-N 381.388 1.175 0 50 GDAA biogenic CCN1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 35804730 FGYPYNPGHGDSAK-UHFFFAOYSA-N 393.303 1.793 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1I 36006472 VQGDYMPFYDXSIT-UHFFFAOYSA-N 396.250 1.236 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc(Cl)cc4c3OCC4)C2)n1 328612038 NNQLRIWLKQTUOD-MRXNPFEDSA-N 399.856 1.503 0 50 GDAA CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCC(O)=N[C@H]2c2cnn(C)c2)n1 328631494 RBIVLGFUGJLLRA-YGRLFVJLSA-N 383.378 2.567 0 50 GDAA CCn1c(-c2ccccc2)nn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c1=O 77506037 MMXBJFSFHYSOAP-UHFFFAOYSA-N 380.452 1.602 0 50 GDAA Cc1cc(C)n([C@@H](C)CNS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)n1 216433564 VWOWZWJZDRYTLN-HNNXBMFYSA-N 376.482 1.885 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)N3CCCN(C(=O)C4CC4)CC3)cn2)C[C@@H](C)O1 158517499 CCNIDAVSAIVLCK-IYBDPMFKSA-N 386.496 1.780 0 50 GDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]1)CC2 77356322 AWTYKCCBOBMCRY-CYBMUJFWSA-N 377.466 1.262 0 50 GDAA O=C(c1ccccn1)N1CCN(Cc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 72453951 KXEOJRQYBUYSBS-ZWKOTPCHSA-N 389.452 1.344 0 50 GDAA O=C(NCCCc1ccccn1)c1ccc(N2Cc3cnn(CCO)c3C2)nc1 71315175 JPAGXMABTSOOBC-UHFFFAOYSA-N 392.463 1.548 0 50 GDAA CS(=O)(=O)c1ccc2c(c1)CCN(Cc1nnnn1-c1ccccc1)CC2 374828716 YSYKXHSQWKRDPM-UHFFFAOYSA-N 383.477 1.667 0 50 GDAA CS(=O)(=O)C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 378264425 KNSDDUYEGWBKML-IRXDYDNUSA-N 392.481 1.970 0 50 GDAA CCc1cc(N2CCC(NC(=O)N3CCO[C@@]4(CCCOC4)C3)CC2)ncn1 287547364 IXCDBEXUYWKMHY-FQEVSTJZSA-N 389.500 1.599 0 50 GDAA Cn1ncc2cc(-c3ccc(C(=O)N4CCNC(=O)[C@H]4CCO)cc3)ccc21 426633846 HVSIRBVQDKPPKH-LJQANCHMSA-N 378.432 1.563 0 50 GDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95374742 JTGGJZHMTYULTO-HNAYVOBHSA-N 382.468 1.378 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCn2ccnc2)c1)N1CCCCCC1 95366501 XQSSQUIMUXYFSG-UHFFFAOYSA-N 376.482 1.878 0 50 GDAA Cc1ccccc1CSc1nc(N)cc(N2CCN(S(C)(=O)=O)CC2)n1 95352839 SLIWQGWLEMLRTJ-UHFFFAOYSA-N 393.538 1.741 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3C[C@H](CO)[C@H](CN(C)CCN(C)C)C3)n[nH]2)o1 91411996 QWLMCUJNWDDWKS-HZPDHXFCSA-N 389.500 1.152 0 50 GDAA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 91707053 IMTVMELPOPCFSP-UHFFFAOYSA-N 379.468 1.538 0 50 GDAA O=C(NCCc1c[nH]cn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245255252 GNXSUEORZGBLIA-WKILWMFISA-N 390.509 1.853 0 50 GDAA CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)C(=O)O 299751691 RIAYHYBGMZXDJT-CHWSQXEVSA-N 397.378 1.785 0 50 GDAA COCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(OC)c1)CCO2 824308490 BWTIMRVHXXWQGP-UHFFFAOYSA-N 377.441 1.567 0 50 GDAA CC1=NO[C@](C)(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)C1 822324386 NECFRNRDRVHNPX-KRWDZBQOSA-N 378.498 1.891 0 50 GDAA NS(=O)(=O)c1ccc(CCNC2CCN(C(=O)c3cccnc3)CC2)cc1 952972285 VHQDJCLGOYWQRV-UHFFFAOYSA-N 388.493 1.166 0 50 GDAA Cc1ncnc(N2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)c1C 952968573 FEDVDZXJYFZXGZ-UHFFFAOYSA-N 388.493 1.388 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@H](CNC(=O)c4ccoc4)C3)cc2)n1 952974625 FFZXXOFSTNBCJG-CQSZACIVSA-N 394.435 1.752 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N(CCC(=O)O)C[C@@H]1CCCO1 408513344 WRLSMTBEZSALAZ-AWEZNQCLSA-N 375.429 1.156 0 50 GDAA CCn1c(=O)n(CC(=O)N2CCC[C@@H](N(C)CC(=O)O)CC2)c2ccccc21 186649781 VRUYUHOPNMUPAX-OAHLLOKOSA-N 388.468 1.220 0 50 GDAA Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1CCCN(C(=O)c2cccs2)C1 1506428562 XSGQUDPUUSUGFQ-LLVKDONJSA-N 376.438 1.221 0 50 GDAA CO[C@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@H]1Cc1cc(C)no1 1529150728 AGEKJJKUVWRYDH-WBVHZDCISA-N 378.473 1.393 0 50 GDAA C[C@]1(O)CCOC2(CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)C1 1704339112 DGAIHZDPQXRZGI-SFHVURJKSA-N 381.494 1.555 0 50 GDAA O=C(CN1CCCN(C(=O)c2c(F)cccc2Cl)CC1)NC[C@H]1CCCO1 1772701588 MXIVABUKPFWAQJ-CQSZACIVSA-N 397.878 1.922 0 50 GDAA CCOC(=O)N1CC[C@H](N2CCCN(C(=O)c3ccc(OC)nc3)CC2)C1 1775983968 WYGGVEMIRLJZRA-INIZCTEOSA-N 376.457 1.469 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCC4(CC3)CN(C)CCO4)cc12 1772809230 PTXSQRUSJLSHJU-UHFFFAOYSA-N 391.493 1.734 0 50 GDAA COc1cccc(CNCCCSC)c1OC[C@H](O)CN1CCOCC1 11842724 FPVOQWIZRJRBBZ-QGZVFWFLSA-N 384.542 1.610 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)CC1 12054450 APQUGCKROGXRRI-SFHVURJKSA-N 387.480 1.768 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3ccc(F)cc3)C[C@H]12 14538101 IBZOYITWAHAXJG-ZWKOTPCHSA-N 397.406 1.578 0 50 GDAA CCOc1ccccc1CN1CCC(n2cc(C(=O)NCCOC)nn2)CC1 14882367 BJGAMHVHOIUPQI-UHFFFAOYSA-N 387.484 1.890 0 50 GDAA Cc1ccccc1CC(=O)N1CCC[C@]2(C1)CN(c1cc(O)ncn1)CC[C@H]2O 1857693606 DNKGJDRZDWCSEY-XMSQKQJNSA-N 396.491 1.913 0 50 GDAA O=C(Cn1cnnn1)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 1857693725 JOWCUTVCBQLOLV-HZPDHXFCSA-N 395.423 1.186 0 50 GDAA Cc1c[nH]ccc1=NCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1cc(C(C)C)on1 1857695154 WQVLLKCGVQZAHM-ROUUACIJSA-N 397.479 1.851 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N2CCC(O)CC2)CC[C@@H]1NC(=O)c1cc[nH]c1 1875240808 FQOKJHVZXZEYRZ-WBAXXEDZSA-N 377.485 1.692 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 225656901 JUIGHOYHDGZDIX-CFMSYZGJSA-N 396.328 1.847 0 50 GDAA COC[C@H](C)NC(=S)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 819029632 YIADVAZMEUTBDI-AEGPPILISA-N 397.545 1.622 0 50 GDAA Cc1nc(=O)n(C2CCN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)CC2)[nH]1 1875298040 MSINLYZHXIXKOG-LJQANCHMSA-N 397.479 1.797 0 50 GDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCc3cc(C)ccc3O2)C1 1875386316 MTNBQSCBCNJFNM-IEBWSBKVSA-N 399.491 1.346 0 50 GDAA CCc1ncncc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2c1ccnc(C(=O)OC)n1 1875302282 ISMANIJVJJZVPO-AGUYFDCRSA-N 396.451 1.545 0 50 GDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 1875386802 YXMFEAWIUFEQII-GDBMZVCRSA-N 389.521 1.825 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccc4[nH]ccc4c3OC)C2)cc[nH]1 1875397450 ARLLOEAIYIHGAH-SJORKVTESA-N 382.468 1.424 0 50 GDAA CC(C)c1nnc2n1CCN(S(=O)(=O)C[C@H]1COc3ccccc3O1)[C@@H]2C 882111225 XTUKHJDRXTYFRH-ZIAGYGMSSA-N 392.481 1.948 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cccc(F)c4)CC3)[C@@H]2C1 1775962100 SHRAQCRONXSHQT-SJORKVTESA-N 389.427 1.872 0 50 GDAA 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388.449 1.187 0 50 GDAA Cc1cccc(-n2ncc(C(=O)NCCc3nc(=O)o[nH]3)c2C(F)(F)F)c1 280049056 HIXIGBMOAJONMN-UHFFFAOYSA-N 381.314 1.848 0 50 GDAA COc1ccc(COCCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cc1 225508349 NNWDSBDYHYJLDD-NHCUHLMSSA-N 398.459 1.927 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)CC2 135136470 NSJWIRMEKIXDRT-JTQLQIEISA-N 385.346 1.505 0 50 GDAA C[C@H](C(=O)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1 23129400 SWFFTPOWRPFQCI-CXAGYDPISA-N 386.427 1.423 0 50 GDAA CC(=O)N1CCn2nc(C(=O)N3CCN(c4ccccc4C)C[C@H]3C)cc2C1 65491763 PUFWCKPZKFALKS-MRXNPFEDSA-N 381.480 1.905 0 50 GDAA COc1ccc(Cc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n[nH]2)cc1 170625092 JPTZDYGWFVLXPZ-AWEZNQCLSA-N 395.419 1.984 0 50 GDAA CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 67868374 VJQUFKFIKNYWBY-UHFFFAOYSA-N 378.379 1.620 0 50 GDAA CCN(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 328627673 GLVIXAYIXCDCQT-XLIONFOSSA-N 382.512 1.785 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@@H]2c2nccs2)CC1 11765649 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389.452 1.597 0 50 GDAA COc1cc(NC(=O)N2CCC[C@@H](c3nc(C)n[nH]3)C2)cc(-n2cnnn2)c1 95525158 HRHCYHQHSUYUOX-GFCCVEGCSA-N 383.416 1.509 0 50 GDAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCO[C@H](Cc2ccccc2)C1 183420647 BTHMWECBCWCCOR-GOSISDBHSA-N 391.493 1.867 0 50 GDAA COC(=O)c1cn(CCc2nnc(-c3ccccc3O)o2)cc2c(=O)[nH]nc1-2 263586946 AAIMQYKIZUFVLZ-UHFFFAOYSA-N 381.348 1.461 0 50 GDAA Cc1ccc(CCNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cn1 163354016 OTMWABUQAYQUGO-UHFFFAOYSA-N 387.465 1.619 0 50 GDAA C[C@H](NC(=O)c1cn2c(n1)CCN(c1nccc(=N)[nH]1)CC2)c1ccccc1 1940195854 RJBFBWCQRWAFQB-AWEZNQCLSA-N 377.452 1.639 0 50 GDAA COc1ccccc1CN(CCCO)C(=O)N[C@H]1CCCN(C(=O)C2CC2)C1 584901717 GSYAOFXWAGIRNK-SFHVURJKSA-N 389.496 1.990 0 50 GDAA CCCOc1ccc(CCNC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1OC 584889363 MTHYDZVMLUXSRS-OAHLLOKOSA-N 377.441 1.873 0 50 GDAA Cc1nnc(SCCCNC(=O)c2ccc(Cn3cnnn3)cc2)s1 670448906 RCBDQWGAHQBNQT-UHFFFAOYSA-N 375.483 1.794 0 50 GDAA CCNC(=O)c1cc(NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)ccc1Cl 952974174 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CC(C)CC(=O)N1CCCN(C(=O)N=c2[nH]n(C)cc2Br)CC1 2325761144 LHYUTPHVJSVDGW-UHFFFAOYSA-N 386.294 1.717 0 50 GDAA Cc1n[nH]cc1C1CCN(c2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)CC1 2325785738 LOUIZRHERMUWCI-IAGOWNOFSA-N 385.516 1.393 0 50 GDAA Cn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc3ccccc3c2)n(C)c1=O 625990 AEFZRRSFCZKFON-OAHLLOKOSA-N 377.404 1.100 0 50 GDAA O=C([C@@H]1CCn2ncnc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356148246 NKFFUEQXDYHHMO-MRXNPFEDSA-N 377.452 1.108 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)N1CCc3nc(C4CC4)nn3CC1)C(=O)CO2 2356149062 IKWMOTZAVNFTGK-UHFFFAOYSA-N 381.436 1.274 0 50 GDAA Cc1ccc(-n2nnc(C(=O)N(C)CCN(C)C3CCN(C)CC3)c2C)cc1 112921563 MNYVQLDZEDABJI-UHFFFAOYSA-N 384.528 1.982 0 50 GDAA CN(CCN1CCOCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 20907274 KGHLVKOKFSVUKF-KRWDZBQOSA-N 393.915 1.869 0 50 GDAA CCc1nccc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 67726877 OESPGPWCHLFIMU-KRWDZBQOSA-N 389.544 1.478 0 50 GDAA CCN(CC)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 67588149 YOVTVEJDPMGAIN-MRXNPFEDSA-N 375.469 1.615 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)ccc21 250417016 AXHPSPPHMVGTNC-MBEZOWKRSA-N 375.494 1.980 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 23144438 XVBTVYMIRUTART-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 12317180 NLRFGPHMSZNPCP-GOSISDBHSA-N 383.496 1.295 0 50 GDAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1c(F)cccc1Cl 1421793 GBQRKJRHCOAHIR-GFCCVEGCSA-N 381.743 1.792 0 50 GDAA biogenic,in-vitro CCN(CC)CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 4743041 QQTHGUQMFVUWQE-UHFFFAOYSA-N 380.470 1.505 0 50 GDAA Cn1ccnc(N2CCC[C@@H](Nc3ncnc4c3cnn4C(C)(C)C)C2)c1=O 328644332 ZCUOKBDAZXWXTI-CYBMUJFWSA-N 382.472 1.756 0 50 GDAA CS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O 375030546 KORSDKYZJXKCQL-KRWDZBQOSA-N 386.473 1.944 0 50 GDAA CCN1C(=O)[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)CCN2C1=O 364185687 UOMWVRNJTOWGDE-OAHLLOKOSA-N 384.461 1.842 0 50 GDAA Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C3CCCC3)C2=O)n(C)n1 332921923 IDGBJFWWDBWZMB-HZPDHXFCSA-N 387.484 1.131 0 50 GDAA CN(CC1(CO)CCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 72153727 ILBIMKPZUCGFFM-KRWDZBQOSA-N 377.460 1.137 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)N4CCNC[C@@H]4C)cnc32)c(OC)c1 237562218 IAMJWEGYRUZCHI-AWEZNQCLSA-N 395.463 1.931 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)N)CC2 77486915 XYTRPIPONDCCTR-CQSZACIVSA-N 379.526 1.729 0 50 GDAA COCc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)s1 82109621 XXUMEEZIMQWLOQ-UHFFFAOYSA-N 377.470 1.518 0 50 GDAA O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 287479099 ICGKGXFAGVILCC-KGLIPLIRSA-N 383.456 1.305 0 50 GDAA Cc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(C)c1Cl 426407723 YGYJBJUTUOTILP-MRXNPFEDSA-N 377.876 1.738 0 50 GDAA CC(C)NC(=O)c1ccn(-c2ccc(NC(=O)c3c(C(=O)O)cnn3C)cc2)n1 20616729 DZCXUGDJNUTKHG-UHFFFAOYSA-N 396.407 1.695 0 50 GDAA COc1cc(Cl)cc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1 95367630 WRFJPGSSZGGAEE-AWEZNQCLSA-N 380.828 1.886 0 50 GDAA NS(=O)(=O)c1ccc(Cl)c(NC(=O)NCC2(Cn3cccn3)CC2)c1 96137892 SXEWHYYAMNZZDJ-UHFFFAOYSA-N 383.861 1.786 0 50 GDAA CSCC[C@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91487054 KIIAPCWQHWAXSE-KRWDZBQOSA-N 391.537 1.927 0 50 GDAA CCCN1CCC(N2C[C@@H](NCc3ccccc3F)C[C@H]2C(=O)NC)CC1 23374549 LNLIENJLCQUNGI-PXNSSMCTSA-N 376.520 1.979 0 50 GDAA NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)C1 180471043 NNZPRQSVOKQGOZ-AWEZNQCLSA-N 390.459 1.869 0 50 GDAA CN(C)CCn1ccnc1C1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 95498993 CSHXMAWXWUSRJU-KRWDZBQOSA-N 385.516 1.190 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccccc1-n1cccn1 244858463 VLPKAWIRDYXHBJ-UYAOXDASSA-N 377.448 1.633 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 244691812 JJTPDJJJXQHHBI-OKILXGFUSA-N 388.443 1.650 0 50 GDAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nnn[nH]2)c2ccccc21 263587640 JLXSVXVWJRTVKM-ZDUSSCGKSA-N 385.428 1.766 0 50 GDAA Cc1cccc(CNC(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)n1 534578922 YIKRUIXCTJCUAP-UHFFFAOYSA-N 382.468 1.728 0 50 GDAA CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55256019 CXGPUKRHVMKCPF-LJQANCHMSA-N 384.455 1.612 0 50 GDAA Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)O)C2)C1 874411506 PFIFEHFZONXVLT-MSOLQXFVSA-N 375.469 1.702 0 50 GDAA Cc1cc(=O)c(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)c(C)[nH]1 1565530492 NXXVHFALCCBQAO-HOCLYGCPSA-N 376.482 1.122 0 50 GDAA O=C1O[C@H]2CN(Cc3cnc(O)nc3O)C[C@H]2N1CCCc1ccc(F)cc1 1565528921 BUAWIZKFPOUOGM-CVEARBPZSA-N 388.399 1.665 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)CN1Cc1cnn(-c2ccccc2)c1 96135920 OEQQZULDXALYQI-AEFFLSMTSA-N 377.452 1.463 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1F 273782852 ZDKHXRQCYXNJHV-UHFFFAOYSA-N 398.456 1.937 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)cc1 1506407995 LUUOWTZPLKEWME-LJQANCHMSA-N 388.445 1.463 0 50 GDAA Cc1nccc(CN2C[C@H]3CN(C(=O)c4cccc(O)n4)C[C@@]3(CN(C)C)C2)n1 1772815202 ZLGGXBGATLNUJB-HRAATJIYSA-N 396.495 1.021 0 50 GDAA CC(C)(C)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 12036606 GSYDZVXMILVRAM-UHFFFAOYSA-N 385.512 1.920 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)sc1C 12703583 CMYRDPXRVJLMFJ-HNNXBMFYSA-N 392.525 1.627 0 50 GDAA Cc1nn(C)cc1CNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 14953083 VQHWFFRHCGLBAG-IBGZPJMESA-N 378.423 1.650 0 50 GDAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 14964917 KWQGCXAFZMHCGD-UHFFFAOYSA-N 395.463 1.911 0 50 GDAA CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCCC1 16626693 PJHPEWCBLAQKEA-UHFFFAOYSA-N 397.566 1.971 0 50 GDAA CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)nc1 19798564 SQAFIUJRBLMKOM-GOSISDBHSA-N 388.512 1.173 0 50 GDAA Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[C@@H](CNS(C)(=O)=O)C1 1857679506 XDKFLVXYDBBLEG-CVEARBPZSA-N 392.525 1.959 0 50 GDAA CNCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC(C)(C)C)cc12 1857692331 ZMMLCHSWPVXCSW-UHFFFAOYSA-N 379.526 1.886 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CCNC(=O)CC3)sc12 1857694357 MUMYSHMMYMQTGR-UHFFFAOYSA-N 391.493 1.121 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3cc(-n4cccn4)ncn3)C1)CC2 1857700839 IQXCPUOPUQHQQL-HXUWFJFHSA-N 392.467 1.708 0 50 GDAA CCn1cc(-c2nnc3n2C[C@]2(CCN(Cc4nccn4C)C2)OC3)c(C)n1 1857703340 ZWSFFPFNICYBHK-LJQANCHMSA-N 382.472 1.378 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3cn(CC)nc3C)CC2=O)s1 1857712102 LAHBGWRHLARDMW-GFCCVEGCSA-N 392.485 1.269 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cccc(-n4cnnc4)n3)C[C@H]12 1857714360 QUSYXIKPZFPDCM-XSWJXKHESA-N 381.436 1.736 0 50 GDAA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cnn1-c1ccccn1 1857714942 UDSDNERWRODIAW-FVJLSDCUSA-N 395.463 1.774 0 50 GDAA CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)cn3)[C@H]3CC[C@]2(C1)O3 1857721548 VCJWEWKHOZKOQE-YRWGSWDYSA-N 378.860 1.674 0 50 GDAA Cc1ncccc1CN1CC2(CCN(CCn3cnnc3)CC2)OCCC1=O 1857734735 OWBCYSFZJOVGOC-UHFFFAOYSA-N 384.484 1.265 0 50 GDAA CCOC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3 1857735049 FDZNQVWTOZCJJZ-QCBUCWTNSA-N 376.453 1.831 0 50 GDAA CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(Cl)c3)CC2)nn1 12079521 FPQKLLDJISIMPY-UHFFFAOYSA-N 377.876 1.833 0 50 GDAA O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@H]1CCCN(C(=O)C2CC2)C1 246464029 CLODGCSKSMHWFV-PCCBWWKXSA-N 399.535 1.634 0 50 GDAA O=C(c1nn(-c2cccc(Cl)c2)cc1O)N1CC(C2CS(=O)(=O)C2)C1 908923258 CGERURKRDWGUFB-UHFFFAOYSA-N 381.841 1.348 0 50 GDAA CN(CCO)S(=O)(=O)C[C@]12CCC[C@H]1N(C(=O)OCc1ccccc1)CC2 1875340368 XXYCIJSCJIKYBI-IEBWSBKVSA-N 396.509 1.822 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cc(-c2ccncc2)n[nH]1 1875397648 ISZNWCMOSSHIIP-ZWKOTPCHSA-N 394.483 1.321 0 50 GDAA Cc1nc(C(=O)N2CCC(C(C)(C)O)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403745 AFGNFUJSANNUKH-QGZVFWFLSA-N 389.544 1.857 0 50 GDAA Cc1cnccc1N1CCC(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)CC1 1875403492 VFKLKMGOBCCSKJ-ILZDJORESA-N 383.496 1.759 0 50 GDAA O=C(NCC1CCOCC1)[C@H]1CCCN1C(=O)c1cccc(Cn2cncn2)c1 2325758497 KRSAMVRGDOWLTO-LJQANCHMSA-N 397.479 1.474 0 50 GDAA COc1ccccc1CNC(=O)[C@H]1CC[C@@H](OC)[C@H](NC(=O)c2cnn[nH]2)C1 2356135436 DVSDXFCJZFSCMC-DXCKQFNASA-N 387.440 1.043 0 50 GDAA Cc1ccc(NC(=O)COC(=O)CSCc2c(C)[nH]c(=O)[nH]c2=O)cc1 3002990 VQYPKXIQVVVZMG-UHFFFAOYSA-N 377.422 1.095 0 50 GDAA CN(C)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 4521370 LINPSOODYGSBAH-HZPDHXFCSA-N 385.372 1.610 0 50 GDAA COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 6729353 LWGSOCYJGTZXRE-MRXNPFEDSA-N 376.428 1.628 0 50 GDAA COc1cc2c(cc1S(=O)(=O)NCCc1ccc(F)cc1)OCC(=O)N2 225479549 TXBDEZIATRLCQK-UHFFFAOYSA-N 380.397 1.686 0 50 GDAA COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)s1 9342289 GBGPCMRAWKJCIF-NSHDSACASA-N 376.438 1.993 0 50 GDAA CCN(CC)CCN[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CC)C1 23153315 ZMQRYVOETOIIMW-MRXNPFEDSA-N 393.601 1.881 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2=O)cc1 20350994 POGBYWNOAFFZMJ-UHFFFAOYSA-N 376.416 1.488 0 50 GDAA O=S(=O)(N1CCOCC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 1424334 HYNAPXJJEAZXQM-UHFFFAOYSA-N 380.297 1.692 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 329820153 PIQAHLGIQAPFMR-NQNKBUKLSA-N 384.432 1.656 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 328642583 RDMJHXOMGCTNJE-INIZCTEOSA-N 397.479 1.496 0 50 GDAA CN1CCCN([C@@H](C(=O)O)c2ccc(NC(=O)N3CCOCC3)cc2)CC1 216922821 PCLWNIRPLONTMC-QGZVFWFLSA-N 376.457 1.314 0 50 GDAA Cc1cccc(=O)n1CCCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 219973839 IYVJPEAJEACUGF-HXUWFJFHSA-N 383.492 1.954 0 50 GDAA CN1CCC(CNC(=O)[C@H]2C[C@@]23CCOc2ccccc23)(N2CCOCC2)CC1 333696429 BLVKWWWWZGXEQK-AUSIDOKSSA-N 399.535 1.640 0 50 GDAA CCCNC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 77455120 WPTMYPHWEZVPRU-KRWDZBQOSA-N 395.525 1.964 0 50 GDAA CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C[C@@H]1c1nc(C2CC2)no1 284852795 LTWOMTXAEZIRCI-OAHLLOKOSA-N 382.424 1.105 0 50 GDAA O[C@@H](CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1F 158712526 PYNQBWKRKCHTKG-SFHVURJKSA-N 387.459 1.308 0 50 GDAA COc1cccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1OC 226985466 QCWJMPPMCUCZPH-NCOADZHNSA-N 396.399 1.607 0 50 GDAA Cc1cc(C)n(CCCC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)n1 426582823 NBIGXDTVKAKGNG-RTBURBONSA-N 389.500 1.637 0 50 GDAA CC1=c2cc(Br)ccc2=N/C1=C(\O)N(C)[C@@H]1CCS(=O)(=O)C1 334158604 XDDGOVBHVKPHIK-PHIZWAGYSA-N 385.283 1.099 0 50 GDAA Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cs1 91769078 YRBKQMDMZZSNAT-WBVHZDCISA-N 379.526 1.999 0 50 GDAA COCc1noc(CCNC(=O)c2cnc(-c3csc(C)n3)nc2O)n1 96164930 KJSACLQSJXVZAF-UHFFFAOYSA-N 376.398 1.116 0 50 GDAA CCS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 179239275 MHLANMJVOGCGIQ-QGZVFWFLSA-N 378.494 1.682 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 95519956 ITOBCWHSJGDRIA-HNNXBMFYSA-N 386.427 1.877 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1ccc(Cn3cccn3)o1)CCN2C 95521531 IKMVHORGMJNQBJ-HXUWFJFHSA-N 385.468 1.293 0 50 GDAA CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)[nH]1 91644659 CMVIDPJRVJEFCL-QAPCUYQASA-N 376.501 1.520 0 50 GDAA CN(C)CCCC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96139212 UQLKSHVDYHGKAC-UHFFFAOYSA-N 385.516 1.906 0 50 GDAA CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)nc1 297075665 ZGNUHFWWMPVAHG-SNVBAGLBSA-N 396.391 1.563 0 50 GDAA CCc1nccn1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 823557266 IREWQAZYLMWVDI-UHFFFAOYSA-N 390.509 1.677 0 50 GDAA O=C1C[C@H](NC(=O)N2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 584893085 KBRNBSYUNFSRDE-SFHVURJKSA-N 379.464 1.714 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cs1 670472038 GEBCVJWCNRHQHI-LLVKDONJSA-N 385.511 1.177 0 50 GDAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CCCN(CC(N)=O)C2)cc1 952992014 VKUPBVJUPTZSGW-PKOBYXMFSA-N 389.496 1.400 0 50 GDAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCSc1nnc(-c3ccncc3)o1)C2 952980652 KRHDEQRMFSHGHM-UHFFFAOYSA-N 398.448 1.558 0 50 GDAA O=S(=O)(CCOc1ccccc1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565528681 HZUUAIVGXDDAGU-IRXDYDNUSA-N 378.450 1.616 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)N[C@@H]2COc3ccccc3C2)CC1 194622224 PGZWKPOXMRSTTI-SFHVURJKSA-N 381.480 1.636 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)c3nc(N)nc4c3CCCC4)cc2C1=O 1506415398 BLDXXFNYBQBGNX-UHFFFAOYSA-N 396.451 1.247 0 50 GDAA Fc1ccc(N2CCC(N3CCN(CCn4cncn4)CC3)CC2)cc1F 1506419382 OZTJCDABTSTSTE-UHFFFAOYSA-N 376.455 1.843 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)C[C@@H]1O 1529154904 LTBUTNKNQDYQGW-HOCLYGCPSA-N 386.901 1.300 0 50 GDAA CC(C)CC(=O)N1CCN(Cc2ccc(C(=O)O)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 219700456 QTDGGOVPXOUFLQ-SJORKVTESA-N 394.493 1.241 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCNC(=O)c3ccc(F)cc3)C[C@H]2O)on1 1704280025 JDXDVIYIGPCKFO-RHSMWYFYSA-N 375.400 1.304 0 50 GDAA O=C(CN1CCOC1=O)N1CCCN(C(=O)Cn2ccc3ccccc32)CC1 1704297218 PBQPDEMCJYLKQD-UHFFFAOYSA-N 384.436 1.154 0 50 GDAA O=C(O)CN1C[C@H]2CN(C(=O)CCn3cccn3)C[C@]2(CCc2ccccc2)C1 1772710295 PGPFJRYKVVOUDE-UGKGYDQZSA-N 396.491 1.751 0 50 GDAA CCC(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 13331672 YZFCDDKZBCTHDU-UHFFFAOYSA-N 384.498 1.973 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 13677943 SLTSZQLEOKQUIX-UHFFFAOYSA-N 393.553 1.986 0 50 GDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCOC(C)C)c2)CC1 19226986 RJEWYEFUFNNPMS-FQEVSTJZSA-N 379.545 1.578 0 50 GDAA O=C(NCCCc1ccccn1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857681797 AZWYGZZIGAOYBQ-SYYKKAFVSA-N 386.540 1.611 0 50 GDAA CN(C(=O)[C@]12COC[C@H]1CN(C(=O)c1ccco1)C2)C1Cc2ccccc2C1 1857688330 DGTBBQQNWXWXGR-VGOFRKELSA-N 380.444 1.994 0 50 GDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NC3(C)CCC3)n2)cc1OC 1857693182 LYKHWMYXYXWHJO-CYBMUJFWSA-N 387.484 1.965 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)NCCCN=c3ccc(C)c[nH]3)CC2=O)s1 1857708268 YSNVETDWGSJMOT-CYBMUJFWSA-N 388.497 1.197 0 50 GDAA N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]2O)c1 215084484 PJOYZGLWNSTHCQ-QUCCMNQESA-N 393.443 1.446 0 50 GDAA O[C@H](COCc1ccccc1F)Cn1cnc2c(N3CCOCC3)ncnc21 123975716 VPSYBOWDNFLUIV-HNNXBMFYSA-N 387.415 1.380 0 50 GDAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 369968337 YZNXHOBXOLKKLE-SECBINFHSA-N 389.462 1.865 0 50 GDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3c3noc(C)n3)cc21 371047244 BHDKUJVTHLDPRD-OAHLLOKOSA-N 376.438 1.813 0 50 GDAA Cc1c(C(=O)N[C@@H](C)Cn2cnc3c(cnn3C)c2=O)cc(Cl)nc1Cl 1875369607 YLRMAGIXZFJYTL-QMMMGPOBSA-N 395.250 1.959 0 50 GDAA CC1(C)CC[C@H](CS(=O)(=O)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)O1 1875392710 PLFWWOVMWWOORO-BZUAXINKSA-N 383.466 1.547 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNCc2ccc(C(N)=O)cc2)N1Cc1ccccc1 1875392484 FEDVMITUEIDYSV-VGSWGCGISA-N 383.492 1.527 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 4580578 NQWLMAOHYGNBFA-UHFFFAOYSA-N 381.498 1.190 0 50 GDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)O1 2325720315 SRSUASKKEKBEMY-CVEARBPZSA-N 382.420 1.424 0 50 GDAA C[C@@H](NC[C@H](O)Cn1cc(S(C)(=O)=O)cn1)c1cc(Cl)cc2c1OCC2 2325800581 VCJWECDWOMDJEK-RISCZKNCSA-N 399.900 1.587 0 50 GDAA O=C(NCc1cc(Br)cc2cccnc12)[C@@H](O)Cc1cnc[nH]1 2325856375 MWKKTDVTEQRFQR-AWEZNQCLSA-N 375.226 1.940 0 50 GDAA CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Br)c2)NC(=O)N1 1185636 OSPFNJJMAPXXGD-AWEZNQCLSA-N 380.242 1.936 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCOCC2)C[C@H]1NC(=O)NCCc1ccccc1 2356151446 IUZLQQWGLZQVSI-IPMKNSEASA-N 389.496 1.571 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)Cn2c(=O)oc3ccccc32)C1=O 2356167367 NGNJEHQYSHCJOT-FQEVSTJZSA-N 387.436 1.225 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2cnsc2)CC1 2356169121 LNLUWUQQMRGKME-UHFFFAOYSA-N 387.509 1.955 0 50 GDAA COc1ccc(CNCC(F)(F)F)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20350868 XIFBXHZKXNARII-HNNXBMFYSA-N 391.434 1.334 0 50 GDAA NS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613775 SVCAQDWZCJKJBH-UHFFFAOYSA-N 399.428 1.553 0 50 GDAA CC[C@@]1(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CCCN1 134457202 WBEMATAILLCKNV-NRFANRHFSA-N 384.480 1.971 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2cnn(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 65533939 RUVDCHLYUQUNBA-AXHMDWHKSA-N 382.420 1.192 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C3)cc1 67855639 PZHHMJCWHMJOPI-KRWDZBQOSA-N 378.436 1.211 0 50 GDAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)Cn1cnnn1 12022604 ZMPGCSDIDWSCMW-INIZCTEOSA-N 376.892 1.740 0 50 GDAA COC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1 215243282 PJVABKHQTKHEQL-KRWDZBQOSA-N 375.450 1.594 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 152249005 YOSPYPRDVZPMAW-GOSISDBHSA-N 386.496 1.687 0 50 GDAA NC(=O)c1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2cnc[nH]2)CCO3)s1 365422039 QOILXOJHRKXMQV-UHFFFAOYSA-N 390.446 1.825 0 50 GDAA CN1C(=O)C[C@H](C(=O)Oc2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccnn1C 368352128 OQWKECJRSUBBJV-HNAYVOBHSA-N 382.420 1.672 0 50 GDAA Cc1n[nH]c(C)c1NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 376706508 KRYTXJNILHTJAT-KGLIPLIRSA-N 397.435 1.001 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)O 72146571 YVYQQUAGZSPBPA-OAHLLOKOSA-N 379.438 1.353 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CN(S(C)(=O)=O)CC2 77487059 UQJZIWQWNYRELV-UHFFFAOYSA-N 394.518 1.825 0 50 GDAA Cc1cc(N2CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)nc(C(C)C)n1 157955465 KRRUJPIYQCTXMA-UHFFFAOYSA-N 382.530 1.770 0 50 GDAA O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cn(C2CCNCC2)nn1 238119627 XAHPFBVGFMFWGI-OAHLLOKOSA-N 383.374 1.685 0 50 GDAA Cc1nsc(N2CCCN(CC(=O)N[C@@H]3CCOc4ccccc43)CC2)n1 174171433 FCXPMRMLSLNZKP-MRXNPFEDSA-N 387.509 1.999 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 42924048 SVEGEHLHTJGDOJ-HNNXBMFYSA-N 379.482 1.101 0 50 GDAA CCN(CC)CCN(C(=O)c1cccc2cn[nH]c12)[C@H]1CCS(=O)(=O)C1 161555956 ZRNPWYYARKFSJQ-HNNXBMFYSA-N 378.498 1.534 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2ccccc2-c2nnco2)C1 95509736 QAOLXQAJAPWASU-LBPRGKRZSA-N 379.442 1.530 0 50 GDAA O=C(NC[C@@H]1CCCN(CC(=O)N2CCOCC2)C1)c1ccccc1Cl 95499869 GCKNVCSXMRKHAM-HNNXBMFYSA-N 379.888 1.641 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(CC)s2)CN1C1CCOCC1 96149271 NWQMRXKYGSVZIS-BBRMVZONSA-N 379.526 1.798 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4nccn4C)C3)CCC2=O)cn1 91440460 HIRVBVBQJLPQHF-FQEVSTJZSA-N 382.468 1.564 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)Cc3n[nH]c4c3CCCCC4)n2C)C1 244866463 VWQTZJRWAZYZDG-SHTZXODSSA-N 385.516 1.821 0 50 GDAA CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)ccc1OCC(=O)O 299742276 AYJNNNBZGZAGRN-BNOWGMLFSA-N 376.409 1.288 0 50 GDAA COc1ccc(OCCNC(=O)C[C@H]2N=C(O)N(c3ccccc3)C2=O)cc1 252537785 MIOVLHQNXWFVLJ-QGZVFWFLSA-N 383.404 1.910 0 50 GDAA Cc1ncc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc1C 299798859 OZPHXUIYYVVIAC-IBGZPJMESA-N 387.528 1.855 0 50 GDAA O=C(NC1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1 584884241 NXWHXUPIOACEFU-UHFFFAOYSA-N 376.501 1.750 0 50 GDAA Nc1nc2c(c(C(=O)N3CCc4nc[nH]c4[C@H]3c3ccccn3)n1)CCCC2 952984729 ZBJGPTFWGIPVPT-GOSISDBHSA-N 375.436 1.844 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)C1 952963535 GYRGWAZCGYNNLC-YJBOKZPZSA-N 375.469 1.770 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N2CCOCC3(CCOCC3)C2)cs1 273126834 SGMLBINPIAWHCS-UHFFFAOYSA-N 375.468 1.352 0 50 GDAA COC(=O)[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(O)cc1 170597662 ULZVPWHDARGIDB-INIZCTEOSA-N 389.433 1.549 0 50 GDAA C[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1 170651846 JWOYDLAKZWIUIQ-SFHVURJKSA-N 394.518 1.866 0 50 GDAA C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 192945111 YFLNTACQWDFLEX-KRWDZBQOSA-N 399.539 1.887 0 50 GDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 193268628 JULDDYJVUIELNQ-GVDBMIGSSA-N 399.413 1.378 0 50 GDAA Cc1cc(N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc2cc(Cl)ccc12 1529146360 NBKZHJHFMWLDID-LRDDRELGSA-N 383.901 1.885 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCCCc2nn[nH]n2)cc1 1704312752 YNCQXGLEIWSCOM-UHFFFAOYSA-N 397.439 1.826 0 50 GDAA COc1c(F)cccc1C(=O)N1CCCN(Cc2c[nH]nc2C(=O)O)CC1 1775983021 RBDRCTKCEGUPCT-UHFFFAOYSA-N 376.388 1.604 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1 12449411 UVKJNRIHLHMPCG-UHFFFAOYSA-N 375.452 1.001 0 50 GDAA COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(CC(C)C)CC2 200599940 PLLVIKDQWFEUEW-UHFFFAOYSA-N 379.526 1.560 0 50 GDAA COc1ccc(-c2cc(CNC(=O)c3cc4n(n3)CCN(C)C4=O)no2)cc1 1857678224 IZTUATNPPMETKX-UHFFFAOYSA-N 381.392 1.562 0 50 GDAA Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)s1 1857678963 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O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCN(c2nc3ccccc3o2)CC1 371827445 VTOQDJZNVLSWTC-ZDUSSCGKSA-N 397.460 1.986 0 50 GDAA CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cccc2c1NC(=O)CO2 1875257208 AFHNUFTWQLPXDE-UHFFFAOYSA-N 393.396 1.416 0 50 GDAA COC(=O)[C@]1(F)CN(C(=O)C2CCN(c3cc(O)ncn3)CC2)C[C@@H]1C1CC1 1875316033 RKEMVHUOEOUYHK-KUHUBIRLSA-N 392.431 1.148 0 50 GDAA O[C@H]1C[C@@H](Cc2nc(Cn3nccn3)nn2-c2nc3ccccn3n2)C12CCC2 1875335769 GKBSCGFVQDNRIT-KBPBESRZSA-N 391.439 1.043 0 50 GDAA C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cncc(N3CCCC3)n2)C1)n1cccn1 1875310295 LXSKTPVHNVYCAA-CVEARBPZSA-N 397.483 1.255 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 4084887 OYIOCGPIKHIYRT-VIPLHTEESA-N 378.421 1.861 0 50 GDAA CC1(C)[C@@H](CN)C[C@@H](C(=O)N2CCc3ccc(Cl)c(F)c3C2)S1(=O)=O 2325780105 HOLZWZWXYXNWNB-RISCZKNCSA-N 388.892 1.904 0 50 GDAA CC1(C)[C@H](CN)C[C@H](C(=O)N2CCc3ccc(Cl)c(F)c3C2)S1(=O)=O 2325780106 HOLZWZWXYXNWNB-SMDDNHRTSA-N 388.892 1.904 0 50 GDAA CCc1cc(C(=O)NC[C@@H](NC(=O)[C@@]23CCCN(CC2)C3)C(C)C)nn1C 2325794272 WJXQFDGLGRXQNC-XLIONFOSSA-N 375.517 1.339 0 50 GDAA CC1(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC(F)(F)CC1 2325806362 KUNMGLDDTVAQSN-HNNXBMFYSA-N 387.471 1.499 0 50 GDAA CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(F)c(F)c1 664130 JNOAITJKGMPZHC-ZDUSSCGKSA-N 379.315 1.668 0 50 GDAA COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 1116766 LFHVQNLVDFTSJL-UHFFFAOYSA-N 392.477 1.949 0 50 GDAA Nc1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(N)c5)c(=O)c4cc3c2=O)c1 1233023 LHZPPLJGQDKPST-UHFFFAOYSA-N 398.378 1.055 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(S(=O)(=O)c4ccc5c(c4)CCO5)C[C@@H]13)O2 2356136730 HCXPJBJJVVELAV-NEPXVJNWSA-N 378.494 1.351 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)CN2CCOc3ccccc3C2)CC[C@@H]1O 2356159722 OBDHEYPYQBHOGI-FXAWDEMLSA-N 376.453 1.345 0 50 GDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6728752 GIHFAEBMOQRUQI-CHWSQXEVSA-N 386.495 1.472 0 50 GDAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCN(C(=O)N2CCOCC2)CC1 23311002 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72481275 RVXVKSDMNFFTPG-UHFFFAOYSA-N 393.495 1.324 0 50 GDAA COc1cc(C)ccc1CN1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72477882 TUEYUTBSSXIGFS-DLBZAZTESA-N 380.510 1.469 0 50 GDAA CNC[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 237242094 MSQCLYAGOUEGRG-ROUUACIJSA-N 393.553 1.854 0 50 GDAA COCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 137140216 LCRCMBSFWZUWPV-JEWRLFTDSA-N 376.840 1.779 0 50 GDAA CCN(CC)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 174152118 ZKZOACMLAZLZCC-QGZVFWFLSA-N 394.541 1.425 0 50 GDAA Cc1nccn1-c1ccc(CNC(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)cc1 426361292 NVNUAIXEIYERJG-HXUWFJFHSA-N 383.452 1.323 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CCN(C)C(=O)C3)csc2C1 426359797 MXFDDLHNJPGHHA-UHFFFAOYSA-N 388.493 1.825 0 50 GDAA COc1cncc([C@@H](NC(=O)c2csc(CN(C)C)n2)[C@H]2C[C@@H](O)C2)c1 220366341 BZZRDRYOUNDQFZ-BNLOLNQZSA-N 376.482 1.850 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccccc1-n1cccn1)C2 95527809 XQPQIAJSUBYDHO-ZWKOTPCHSA-N 381.480 1.383 0 50 GDAA Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c(F)c1 91440267 IYPKQPRWQYNHLR-UHFFFAOYSA-N 380.445 1.426 0 50 GDAA Nc1cc(N2CCN(CCOc3ccccc3)CC2)nc(N2CCOCC2)n1 96161118 TZUYTKSFQWHIHS-UHFFFAOYSA-N 384.484 1.096 0 50 GDAA COc1cc(CN2CCC(C)CC2)ccc1OC[C@@H](O)CN1CCOCC1 95501779 JQQRNKUOASZKQS-IBGZPJMESA-N 378.513 1.999 0 50 GDAA O=C(CC[C@H]1CCCN(C(=O)CCO)C1)N1CCN(Cc2ccccc2)CC1 95506423 JPUHFGFPSWZSHB-HXUWFJFHSA-N 387.524 1.732 0 50 GDAA CCc1nc(C)cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 96138227 MDQYNUVSITXROB-UHFFFAOYSA-N 385.516 1.692 0 50 GDAA COCc1nnc(NC(=O)CN2CCC([C@@H](O)c3ccccn3)CC2)s1 244899516 ZKZOSUJDRNRPAQ-MRXNPFEDSA-N 377.470 1.464 0 50 GDAA O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244858521 VMRFJPFACXOOIM-UWWQBHOKSA-N 380.448 1.613 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252491816 LUOGLFXWLSHYLH-QZTJIDSGSA-N 386.496 1.735 0 50 GDAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CC(O)C1)C(=O)OC2 277135716 HAIKJLWHSZBXGH-NYYWCZLTSA-N 375.421 1.852 0 50 GDAA Cn1cnc2cc(C(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)ccc2c1=O 828168650 IUBPCGARZIIOJN-AWEZNQCLSA-N 380.404 1.561 0 50 GDAA CCCn1cc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cn1 823033442 VKNSIVBMJYQYAH-QGZVFWFLSA-N 379.486 1.040 0 50 GDAA O=C(NCCSc1nc[nH]n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 827748277 JMAFKVMJFRGQMB-ZDUSSCGKSA-N 399.473 1.005 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCC1=O 824412508 ZYLMZPZKOCXZAF-AWEZNQCLSA-N 380.876 1.269 0 50 GDAA CCn1nc(CO)c2c1CCN(C(=O)N[C@H]1CC(=O)N(c3cccc(C)c3)C1)C2 584901866 DGKJUJSFLQAQMQ-HNNXBMFYSA-N 397.479 1.577 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)cc1 170615464 NKLQTUWPQJMEJM-GJZGRUSLSA-N 381.454 1.009 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(C[C@@H](O)CC(F)(F)F)CC2)c(C)s1 189365078 WNLDWMWECWKFFS-LBPRGKRZSA-N 386.461 1.985 0 50 GDAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2noc([C@H]3CCCO3)n2)CC1 1506396384 DVWVNLRIAYFXKZ-OAHLLOKOSA-N 399.517 1.160 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCCN(c2ccc(C(N)=O)cn2)C1 1506398821 GAHSWLWXLRFSSO-INIZCTEOSA-N 398.511 1.496 0 50 GDAA NC(=O)COc1ccc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1Cl 1772712389 QXFFKQKPRXYEBQ-INIZCTEOSA-N 387.867 1.747 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2=O)c1 12028102 VVMYLRBNTINTBB-SFHVURJKSA-N 381.498 1.316 0 50 GDAA COc1cc(CNC2CCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 12595716 NSIKINZLRARXFT-LJQANCHMSA-N 378.513 1.924 0 50 GDAA CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O 14536910 SFNUMVUKOGERHJ-ZIAGYGMSSA-N 399.369 1.393 0 50 GDAA O=C1c2ccccc2C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19374581 SIHHZPDQUAZMGF-UHFFFAOYSA-N 379.416 1.787 0 50 GDAA O=C(Cc1cc2c(cc1Cl)OCCO2)NC[C@@H]1CCC[C@H](NC(=O)CO)C1 1857673702 ZDEHUCLDORBXPG-OCCSQVGLSA-N 396.871 1.437 0 50 GDAA CN=c1ccnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4ccccc4)C3)C2)[nH]1 1857686117 ISBQZKKFUVSORT-UTKZUKDTSA-N 381.480 1.434 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@@H]3CCN(C)C3=O)cc12 1857686534 AJJSKPLGSBVPQF-CQSZACIVSA-N 391.493 1.119 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)N3CCOC(CC)(CC)C3)CC2=O)s1 1857712250 GWNWVIHJRJPUOK-CYBMUJFWSA-N 396.513 1.845 0 50 GDAA O=C(c1ccn2nccc2c1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857713937 YBSCQZXHPSPVCB-FPOVZHCZSA-N 383.423 1.902 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)CCCc2nc(-c3cccnc3)no2)CC[C@H]1O 1857723709 RRFNOWILMGELIU-UZLBHIALSA-N 388.468 1.826 0 50 GDAA c1nc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4CC[C@H]3CCOC3)C2)c2nc[nH]c2n1 1875244046 JXSIBBIPXRWYMX-ZGPJWRFFSA-N 398.511 1.982 0 50 GDAA COCCN1CC[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1 377766216 YTNKACCJUSRVOE-MRXNPFEDSA-N 392.475 1.404 0 50 GDAA CN(CC(=O)N(CCc1ccccc1)CC(=O)O)S(=O)(=O)c1ccccc1 263164045 ZBWQWXIWIAKVAW-UHFFFAOYSA-N 390.461 1.463 0 50 GDAA O=C(O)[C@@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)Cc2ccnn2C1 1875294019 KTVSOKVLGSSUSY-LLVKDONJSA-N 381.335 1.930 0 50 GDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 1875318621 JJGFOEUKMBSXJT-IMIFBBOLSA-N 388.390 1.918 0 50 GDAA COc1cccc([C@@H](C)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1F 1875399779 IYOOQGUFJDHZJU-RBSFLKMASA-N 389.475 1.981 0 50 GDAA C=CC(=O)NC[C@H](NC(=O)c1cn(C)c(=O)n1C)c1ccc2ccccc2c1 1875386739 XTYPNYVYPKWDHJ-KRWDZBQOSA-N 378.432 1.650 0 50 GDAA Cn1ncc(CCC(=O)N[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)n1 1875403444 XRZXXLVXQFWUHI-ATZDWAIDSA-N 394.479 1.567 0 50 GDAA COCc1ccc(C(=O)N2CC[C@@]3(NC(=O)C(=O)NCC4CC4)CCC[C@@H]23)o1 1775990803 HMCFRQGOVGEEGC-UZLBHIALSA-N 389.452 1.206 0 50 GDAA Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C3CCCCCC3)C[C@H]2C(F)(F)F)n1 1775992615 UPSYFBQDFAXOMK-TZMCWYRMSA-N 387.406 1.905 0 50 GDAA CCNC(=O)CN1C(=O)[C@]2(CCN(C(=O)c3ccncc3F)C2)c2ccccc21 2100482915 GGQXZGCYQZLBGI-NRFANRHFSA-N 396.422 1.487 0 50 GDAA CCc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)c(Br)c1 2325790719 FILGCDBGSAAMGP-GWCFXTLKSA-N 380.242 1.439 0 50 GDAA COc1ccc(C[C@](C)(CO)NC(=O)[C@H](N)C[C@@H]2CCCCO2)cc1OC 2325860937 ZSJMNNMKDRXRAF-RZQQEMMASA-N 380.485 1.400 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cc(F)cc3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325875352 OMTRLZWXRYWRSX-ABAIWWIYSA-N 394.424 1.770 0 50 GDAA CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)CC1 881340 LMBHJYHVCCMWFM-UHFFFAOYSA-N 383.470 1.062 0 50 GDAA CN(C)C[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@H]4CCCN4[C@]34C(=O)Nc3ccccc34)C[C@H]12 2356144608 FVXXCANDEYXJHK-XTJFRHRTSA-N 394.519 1.584 0 50 GDAA Cc1nn(CC(=O)N2C[C@H]3[C@@H](CN(C)C)[C@@H]4CC[C@@]3(C2)O4)c(=O)c2ccccc12 2356168022 MJJSBFPZNDPRAA-GHDARCQNSA-N 396.491 1.273 0 50 GDAA CN(c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1)S(C)(=O)=O 4756701 PXGGMRRSJDGEEX-UHFFFAOYSA-N 397.478 1.706 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1C 4820642 FLPRRLMELMAKIM-CVEARBPZSA-N 396.509 1.700 0 50 GDAA CCOc1cccc([C@H]2C(C(=O)OC)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)c1 4868212 XQYCKVDMIXSCAE-HNNXBMFYSA-N 385.420 1.487 0 50 GDAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC)ccc1OCC(=O)O 4950499 GTZLJZZQTYIKKM-OAHLLOKOSA-N 380.422 1.515 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc(Br)cc1 6163751 YBXIQEXMAHBAAV-UHFFFAOYSA-N 398.282 1.927 0 50 GDAA COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C2)nn1 222306661 ROBGBFOHBLHABH-UXLLHSPISA-N 375.473 1.493 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(F)cc1 9667738 KZIHSPYYQIWPBF-UHFFFAOYSA-N 377.397 1.577 0 50 GDAA O=C(c1cc2n(n1)CCN(Cc1ccc(-n3cncn3)cc1)C2)N1CCCC1 65373535 KXLYZICGFJENDW-UHFFFAOYSA-N 377.452 1.716 0 50 GDAA Cc1cccc(-c2nc(C[S@](=O)CC(=O)N3CCN(C)CC3)c(C)o2)c1 20241472 FIGZBSKFFXDKSL-AREMUKBSSA-N 375.494 1.981 0 50 GDAA aggregator O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCNCC2)nc1 67726058 LWWRSIDTSTZSLO-QGZVFWFLSA-N 382.464 1.841 0 50 GDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(c2ccc(F)cc2)CCOCC1 67755205 RCJCDPUGPRLLQE-IRXDYDNUSA-N 377.460 1.327 0 50 GDAA CCn1c(=O)n(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c2ccccc21 119092376 KYWWCIMXVKOYFC-HNNXBMFYSA-N 397.431 1.916 0 50 GDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 11769604 ALSHBZCHUNYKBU-LJQANCHMSA-N 393.447 1.572 0 50 GDAA Cn1cc(C(=O)NCCNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 32088553 SOULEDQUCAWUQW-LJQANCHMSA-N 379.416 1.864 0 50 GDAA O=C1CN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CCN1 71749082 AXWUOWSBYFISQC-IBGZPJMESA-N 384.524 1.321 0 50 GDAA CCS(=O)(=O)N1CCC(N(CCO[C@@H]2CCCC[C@H]2C)CC(=O)O)CC1 328603307 FNWRQJNDYJJQTN-NVXWUHKLSA-N 390.546 1.782 0 50 GDAA NC1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71750395 NTCSUCMGXAUHDD-IBGZPJMESA-N 385.556 1.708 0 50 GDAA C[C@H](O)CN1CCC(CN(C)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 363744882 CGKFUTJUXNJYLN-INIZCTEOSA-N 386.500 1.502 0 50 GDAA COc1ccc(S(=O)(=O)CCC(=O)N2CCC(C(=O)O)CC2)cc1OC 218346812 KTFLQILHOFSGHL-UHFFFAOYSA-N 385.438 1.191 0 50 GDAA CCC[C@@H](C)N1C[C@@H](C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)CC1=O 364496874 VPTRVEWKIISRQP-CABCVRRESA-N 377.485 1.554 0 50 GDAA O=C(OC[C@H]1CCCCN1C(=O)C1CCS(=O)(=O)CC1)N1CCCCC1 367425420 DREAWCPTNYLFAK-MRXNPFEDSA-N 386.514 1.815 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1COCCN1C(=O)c1ccc(F)c(F)c1 72474399 LSFILKHJFIIBDR-HNNXBMFYSA-N 392.406 1.620 0 50 GDAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 156689203 ZVBDRLFMFFDGKJ-KRWDZBQOSA-N 378.448 1.805 0 50 GDAA CN1CCC(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)(N2CCOCC2)CC1 334052184 SNKVNVBXTUCOGK-PWRODBHTSA-N 398.551 1.811 0 50 GDAA Cc1nccnc1N1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 376572748 TXQAHUOJLZZCBN-RBUKOAKNSA-N 395.463 1.032 0 50 GDAA CCn1ccnc1CNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71771875 WBOBYDKMVCPFCD-QGZVFWFLSA-N 387.528 1.632 0 50 GDAA O=C(Cn1ccnc1-c1ccccc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 426691106 APBBPQVIQMYGAG-WOJBJXKFSA-N 391.475 1.697 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc2C[C@H]1C 176744587 RFHDMADZPAPXRB-ABAIWWIYSA-N 375.454 1.389 0 50 GDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)CC2 426525936 BSMMOGSOJXYBKF-BBTUJRGHSA-N 388.464 1.304 0 50 GDAA CNC(=O)c1ccc(CN2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)o1 96138354 TZAQUAYCANQSNF-UHFFFAOYSA-N 397.483 1.701 0 50 GDAA Cc1cc(C)n(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)c(=O)n1 91707218 GMWGNHNPMNZEBB-SFHVURJKSA-N 388.512 1.795 0 50 GDAA Cc1ncn(CC(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C 91737487 KYMUGGDVOPIKCS-UHFFFAOYSA-N 375.517 1.293 0 50 GDAA Nc1nnc(SCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)s1 91518965 KXHUBRYLBLBLTC-WDEREUQCSA-N 382.442 1.678 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)c1cc2ccccc2[nH]1 95522155 JKGFMBGACUUEDN-AWEZNQCLSA-N 381.440 1.213 0 50 GDAA COc1cc(N2CCN([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)ncn1 184088793 JBDMSAFMESZSCX-QGZVFWFLSA-N 385.443 1.942 0 50 GDAA O=C(Cc1cnc(O)nc1O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 253535595 HRCGMACGBVMSHH-HNJNHCNJSA-N 380.404 1.607 0 50 GDAA O=C(c1cccnc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 298652855 DXBOXDYXHKXMLL-GOSISDBHSA-N 399.495 1.294 0 50 GDAA CN1CCC[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 534667738 FTTABAVVBRLDFX-SNVBAGLBSA-N 378.424 1.483 0 50 GDAA COc1cc(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)nc(OC)n1 299775877 LIXQSQINTLMJTF-ZDUSSCGKSA-N 377.422 1.078 0 50 GDAA CC(C)NS(=O)(=O)c1cc(N)cc(C(=O)NCc2cn3ccccc3n2)c1 299764026 JHOJBYOJFLPATM-UHFFFAOYSA-N 387.465 1.533 0 50 GDAA CCOc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)CCn3cnnc3)C2)c1 952990604 RHTNEGORFKHUTR-INIZCTEOSA-N 385.468 1.736 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3N3CCOCC3)CC2)C1=O 952973470 TWSIODOLBBAORG-UHFFFAOYSA-N 386.452 1.022 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)noc2C)CN1Cc1ccsc1 95365478 PHXYOYYTBGNSFE-CABCVRRESA-N 376.482 1.862 0 50 GDAA CC(=O)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC12CCCCC2 270932781 WHNZBDSRGRRVBR-UHFFFAOYSA-N 386.496 1.925 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)c2ccc(-n3cnnn3)cc2)co1 1775990722 DUTWSWWGTWPJPF-RCCFBDPRSA-N 392.419 1.739 0 50 GDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CCc2nn(C)c(=O)n2C1 1529105806 ILUCCGVBDARWLT-ZDUSSCGKSA-N 396.451 1.500 0 50 GDAA COc1cccc2c1C1(CCN(S(=O)(=O)c3cnn(C)c3)CC1)OCC2 1704299411 RMIDZOFYZGEDTP-UHFFFAOYSA-N 377.466 1.681 0 50 GDAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCCCCC3)N(CC(C)C)C2)nn1 12131608 ACPBPIMJQDYGKE-RDJZCZTQSA-N 377.489 1.739 0 50 GDAA CN1CCC(N(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 12299332 AHCZJQSGARTIKU-GOSISDBHSA-N 376.476 1.069 0 50 GDAA CC(C)Cn1c(CN(C)C[C@H](O)CO)cnc1S(=O)(=O)Cc1ccccc1 12316770 RAMZFFIBKFERHB-SFHVURJKSA-N 395.525 1.298 0 50 GDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](NCC1(C)COC1)C2 14733237 NLYSDIXCPACFDJ-INIZCTEOSA-N 386.471 1.973 0 50 GDAA O=C1[C@H]([C@@]2(O)C(=O)Nc3ccccc32)CCC[C@H]1[C@]1(O)C(=O)Nc2ccccc21 17046509 XQTNLJPZJDANDE-ROFQSWJRSA-N 392.411 1.652 0 50 GDAA CC(=O)NCC12CC(C(=O)N(C)Cc3cccc(F)c3)(C1)C1(CCNCC1)O2 1857528856 GMPRVPGVHHJHMD-UHFFFAOYSA-N 389.471 1.592 0 50 GDAA C[C@H](N)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCCC3)cc12 1857689693 KDAWOLKJAPURSP-ZDUSSCGKSA-N 377.510 1.722 0 50 GDAA COc1ccc(C(=O)NCc2nc(O)n[nH]2)cc1Oc1cc(F)cc(CN)c1 1857690998 XOTHLVPJNRVCQR-UHFFFAOYSA-N 387.371 1.839 0 50 GDAA O=C(NCCO)c1cc2c(s1)CCOC21CCN(Cc2ccncc2)CC1 1857693813 NTLPJIPXWQGVCM-UHFFFAOYSA-N 387.505 1.929 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 248020655 RHLGUFWDTHADLK-CABCVRRESA-N 397.479 1.033 0 50 GDAA C[C@](O)(CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 263515664 ZQPNIPBCGKTRLH-JTQLQIEISA-N 395.277 1.838 0 50 GDAA O=C1CN(C[C@H]2[C@H]3CN(Cc4ccc(F)c(Cl)c4)C[C@]34CC[C@H]2O4)CCN1 1704314704 RVSIDRJSFMTYER-QHDJUILOSA-N 393.890 1.890 0 50 GDAA N[C@@H](C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)[C@@H]1CCCCO1 1875287379 HZQCUYDSZPUTSL-RBUKOAKNSA-N 391.487 1.619 0 50 GDAA Cn1cnc([C@@H]2CNC[C@H]2C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1 1875277304 UYVQGINUEAJQFH-ZHALLVOQSA-N 398.898 1.979 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3ocnc3C(=O)OC)CC2)C1 1875371732 KQNDZUZZDZBFBX-CQSZACIVSA-N 375.425 1.592 0 50 GDAA CC(C)Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)Cc2c(F)cccc2F)C1 1875305927 MWBPRTYVILHNDQ-IAGOWNOFSA-N 393.438 1.116 0 50 GDAA CC(C)(C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCNC1 1875301816 RDANGPIIYODVTQ-SFHVURJKSA-N 378.561 1.463 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCc2nc(CCc3ccccc3)nn2CC1 2100482677 QKFHDRQEULMZJH-UHFFFAOYSA-N 387.447 1.805 0 50 GDAA Cc1nn(C)cc1CC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 2100534370 FOHJJZRGTFXXHY-ICSRJNTNSA-N 375.444 1.225 0 50 GDAA O=C1CC[C@H](NC(=O)[C@H]2CCCC[C@@H]2CN2C(=O)c3ccccc3C2=O)C(=O)N1 1857798174 SFKNISOYQJAZHF-WWGRRREGSA-N 397.431 1.010 0 50 GDAA CC(C)(C)c1ncc(I)c(N2CCO[C@H](CN)C2)n1 2325800012 HDYORVQTAHQDEQ-SECBINFHSA-N 376.242 1.543 0 50 GDAA CCCC1CCC(O)(C(=O)NCC2CN(C(=O)[C@@]3(C)CCN(C)C3=O)C2)CC1 2325828869 UILIKALZVSNHEG-YFYMUDDPSA-N 393.528 1.151 0 50 GDAA CCOC(=O)c1ccc(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 986486 AGKUBNXBWJATNW-INIZCTEOSA-N 391.493 1.883 0 50 GDAA CN(C)C(=O)[C@@H]1CN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CCO1 2356154204 MNXNMNYQCGJWMQ-LBPRGKRZSA-N 379.800 1.987 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cnc(-c3cccnc3)nc2C)C[C@@H]1O 2356154816 LBUUNFIRIHPSPA-JXFKEZNVSA-N 384.436 1.925 0 50 GDAA CCn1c([C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn(C)c1=O 67742723 MOKPUFXRDJOPNB-SICOMBFOSA-N 376.482 1.782 0 50 GDAA CC(C)Nc1cc(N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)ncn1 65373383 XQHIQFBAJUWYQQ-UHFFFAOYSA-N 385.472 1.376 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)Cc3ccno3)C2=O)c1 67771840 OUKZFEMTGHUMDB-IBGZPJMESA-N 377.416 1.808 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)N1CCCO[C@H](Cn3cccn3)C1)C(=O)CO2 219542837 JYKULAFWWPIZGI-INIZCTEOSA-N 384.436 1.235 0 50 GDAA Cc1nc(CCNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)nc2c1CCC2 219476942 AQTCXEWLJFAFKU-GOSISDBHSA-N 377.452 1.403 0 50 GDAA CCc1nnc(CN(C(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)C(C)C)o1 72454380 IHNBAOFYCKAGCG-AWEZNQCLSA-N 379.505 1.606 0 50 GDAA Cn1cc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 215916354 YITWQLNNYLKYNT-UHFFFAOYSA-N 389.525 1.545 0 50 GDAA C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)C(=O)NCc1ccco1 363266668 USKDGZXDYWQMIC-CZUORRHYSA-N 385.420 1.411 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCOCC1 71752822 CVFMERCKDZSWRA-GOSISDBHSA-N 399.539 1.894 0 50 GDAA CS(=O)(=O)c1ccccc1C(=O)N1CCC(CCN2CCOCC2)CC1 363658754 BKVIDFXVBXHOFX-UHFFFAOYSA-N 380.510 1.665 0 50 GDAA CN(C)C(=O)c1ccnc(NC(=O)NCC2(N3CCOCC3)CCCCC2)c1 363785779 ZVOORCQUJGAGMH-UHFFFAOYSA-N 389.500 1.940 0 50 GDAA O=S(=O)(NCCc1csc(-c2cnccn2)n1)NCc1ccccc1 72165391 JOYIVFLDYSICHE-UHFFFAOYSA-N 375.479 1.767 0 50 GDAA CNC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)C[C@@H]1c1cnn(C)c1 332794095 PIESVHRRJCCIBU-MEKUTCPDSA-N 385.512 1.716 0 50 GDAA CCC1=NO[C@H](CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)C1 71762774 LZCRMVITJNRJRQ-HNNXBMFYSA-N 380.452 1.855 0 50 GDAA Cc1ccc2c(c1)nc(CNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O)n2C 458736418 HZXKXVYDFMSEHK-CQSZACIVSA-N 378.498 1.990 0 50 GDAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)/C=C/c1ccccc1)C2 220566956 UHNVUSXTRIZLBO-VEGGFIAOSA-N 376.482 1.294 0 50 GDAA CCCNC(=O)Cc1noc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 289215439 SGAFNDXZUCKIPO-AWEZNQCLSA-N 378.454 1.664 0 50 GDAA CC(C)N1CCN(CCNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 426493029 AROUKKFIONSBCK-IBGZPJMESA-N 378.492 1.935 0 50 GDAA CN(C)[C@@H](C(=O)NCCc1nc(-c2cccnc2)n[nH]1)c1ccc2c(c1)OCO2 426602581 YRQSKPRYPSMCNM-GOSISDBHSA-N 394.435 1.557 0 50 GDAA CSCC(=O)N1CCC2(CCN(Cc3cn(C)nc3C)CC2)[C@H](CO)C1 97475558 UEIGVZUCXMLHDI-KRWDZBQOSA-N 380.558 1.515 0 50 GDAA CN(CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O)C1CCCC1 95502517 YCFDDDYUUYKIEO-WMLDXEAASA-N 376.526 1.967 0 50 GDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)Cn1ncc2ccccc2c1=O 95360414 CMTHAPKWSLHCIM-UHFFFAOYSA-N 376.376 1.500 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(OC)nc3)CC2)CC1 95522257 QSGVNMKGTFKNHA-UHFFFAOYSA-N 388.512 1.887 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)C(=O)NC(C)(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95378729 XSJQEFXALOPUQO-IPMKNSEASA-N 385.508 1.999 0 50 GDAA O=C(c1ccc(N[C@H]2CC[C@H](O)CC2)nc1)N1CCC(N2CCOCC2)CC1 244796129 RTNIILXEBYJCBF-UAPYVXQJSA-N 388.512 1.734 0 50 GDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 245328214 UEMPABXSKILNNH-OOIHTCJSSA-N 385.464 1.203 0 50 GDAA O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCN(c2ccccn2)CC1 263618262 RZUFHEMSNQRIEL-SFHVURJKSA-N 390.447 1.907 0 50 GDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65526775 XNLKHPQFDBMZLT-NRFANRHFSA-N 381.432 1.784 0 50 GDAA COc1ccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c(O)c1 299773408 AJMRQKDLJYSICG-NVXWUHKLSA-N 377.466 1.531 0 50 GDAA Cc1ccn2cc(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc2c1 670464055 QHMDMFLOHPWJJY-KRWDZBQOSA-N 390.509 1.158 0 50 GDAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O 952978259 DTYGVSSZVSPCAY-GFCCVEGCSA-N 394.391 1.992 0 50 GDAA COc1ccc(CN2CCN(C(=O)c3cc(CC(C)C)nc(N)n3)CC2=O)cc1 952861455 GKLHUCDSIHQSQV-UHFFFAOYSA-N 397.479 1.751 0 50 GDAA O=C(NCCc1noc(-c2ccccc2)n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 952969311 DMDLENVKABRKPF-INIZCTEOSA-N 391.431 1.839 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)N(C)C[C@@H]1CCCN(CCO)C1 952870047 QUYVIMMCAGHOAL-INIZCTEOSA-N 379.526 1.900 0 50 GDAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)c3c(C)[nH]c(C)cc3=O)CC[C@@H]21 1565515305 MLWPWLQUIDARSN-CVEARBPZSA-N 375.469 1.481 0 50 GDAA Cc1cc(C)c2ncc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)c(O)c2c1 163797084 UQFIPUXGAXIOFT-MRXNPFEDSA-N 379.420 1.826 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCCO[C@@H]3c3cnn(C)c3)ccc2O1 275272218 JJBLCLMWMIEDQX-PZPSRYQVSA-N 377.466 1.942 0 50 GDAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1cc2c(cc1Cl)OCCO2 275349668 TVXLLDTUZQHIMV-NSHDSACASA-N 383.857 1.849 0 50 GDAA COc1cc(C)c(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cc1Cl 278630144 IACGXBOBZMGFSN-UHFFFAOYSA-N 377.846 1.817 0 50 GDAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(N2CCOCC2)ccn1 189059119 FOCLFBMNLMMETL-UHFFFAOYSA-N 381.480 1.708 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 193943694 JPKLHYGJWYLWDA-UHFFFAOYSA-N 383.857 1.851 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529134100 RQWYAOLMWHQXRL-DYESRHJHSA-N 391.475 1.884 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 11916762 BTENENXRCXHSCT-UHFFFAOYSA-N 379.482 1.814 0 50 GDAA Cc1nc2ccccc2n1Cc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1 12438489 GFMBJYZOHMNKOY-UHFFFAOYSA-N 380.452 1.858 0 50 GDAA CCN1CCN(CC(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)CC1 19228953 OYTDDHDNXVKRAI-QGZVFWFLSA-N 390.503 1.432 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCCN(C3CCCC3)CC2)n1CCOC 19792773 JMBQMQGWHAAQDD-UHFFFAOYSA-N 398.573 1.773 0 50 GDAA Cc1nn(C)c2c1[C@@H](NS(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CCC2 1857689440 PTPSDWGGZGENBP-LBPRGKRZSA-N 376.438 1.415 0 50 GDAA CN=c1ncc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)c[nH]1 1857721441 OSXPEFNMRWPZJC-OALUTQOASA-N 381.480 1.618 0 50 GDAA CN1CCN([C@H]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2O)CC1 214260485 YVHJUSLECZRQJD-PMACEKPBSA-N 383.496 1.452 0 50 GDAA O=S(=O)(c1cnn2c1OCCC2)N1CCN(c2cncc3ccccc23)CC1 329704873 JAQWZNRBDBEUGI-UHFFFAOYSA-N 399.476 1.725 0 50 GDAA CCNC(=O)C(C)(C)CNC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 126839188 NYOFNONPMYRVTQ-UHFFFAOYSA-N 393.532 1.965 0 50 GDAA CN(C)c1cccc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 264226527 LLUZXTSNYRXSIC-UHFFFAOYSA-N 381.480 1.779 0 50 GDAA Cn1nccc1[C@@H]1[C@@H](NC[C@H](O)C[C@H](O)c2ccccc2)CCC(=O)N1C1CC1 905534509 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0 50 GDAA NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O 100036900 BOCUKUHCLICSIY-PJPCKVBYSA-N 389.886 1.230 0 50 GDAA world COC(=O)c1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)cc1 20149494 UGCLFZQIOARPDV-PMACEKPBSA-N 396.491 1.236 0 50 GDAA O=C(NC[C@H]1CCCO1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 170610331 HCACWRFKJBNKRH-NWDGAFQWSA-N 398.389 1.655 0 50 GDAA C[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)c1cccc(OC(F)F)c1 327142329 SNXSBSMIFBZJOI-SNVBAGLBSA-N 378.397 1.980 0 50 GDAA Cc1nnsc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71661692 IRAWSIKDEMYHBW-CYBMUJFWSA-N 377.514 1.442 0 50 GDAA Cc1cc2c(cc1C)O[C@@H](c1nnc([C@H]3CN(S(C)(=O)=O)CCO3)o1)C2 328633441 LZZDVZTYMUYVFU-HUUCEWRRSA-N 379.438 1.696 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 363133914 ZXLVYRDADDRCCH-UYAOXDASSA-N 385.508 1.862 0 50 GDAA COC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71735619 XENUGPDLOVTBEQ-GOSISDBHSA-N 388.512 1.389 0 50 GDAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H](C(=O)NCCN)C1 237662861 DNHATHBPNFXAEB-ZDUSSCGKSA-N 376.482 1.568 0 50 GDAA CCCc1n[nH]cc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 72424281 NGOZFDASAYMNOT-FQEVSTJZSA-N 375.517 1.769 0 50 GDAA CNC(=O)c1cccc(CCNC(=O)c2ccc3c(c2)NC(=O)CCN3C)c1 175138643 FJELNOJQAXWHFM-UHFFFAOYSA-N 380.448 1.797 0 50 GDAA O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1C[C@H]2CCCC[C@H]2C1 178310741 PGDZLULMDCMARR-JTDSTZFVSA-N 396.491 1.773 0 50 GDAA O=C(c1cn(CC(=O)N2CCn3nc(CO)cc3C2)c2ccccc12)C1CC1 221326329 DMBBRPVURFPCKW-UHFFFAOYSA-N 378.432 1.965 0 50 GDAA Cn1cnc2c(C(=O)N3CCOC[C@@H]3c3ncnn3-c3ccccc3)ccnc21 288044782 DPEZFZQFUQMFTM-MRXNPFEDSA-N 389.419 1.763 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1csc(C(C)=O)c1)C2 82120866 QXKYCXVCUKTHGX-UHFFFAOYSA-N 376.482 1.816 0 50 GDAA COc1ccc(-n2c(CCN)nnc2SCC[C@H]2CCS(=O)(=O)C2)cc1 426429062 XZUHZBVMJZSBMW-ZDUSSCGKSA-N 396.538 1.694 0 50 GDAA O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1cccc(N2CCNC2=O)c1 222709495 KTQONUGRYFVARW-NKELODKYSA-N 380.448 1.723 0 50 GDAA CC(C)c1ncc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cn1 91737490 VMURPBXRJDUHAH-MJGOQNOKSA-N 389.544 1.451 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 95389389 AMCRBHHUNMITKC-GXTWGEPZSA-N 377.408 1.125 0 50 GDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3nc(CC)sc3n1)C2 95522541 DHSPQUFHXFCSPX-GXTWGEPZSA-N 375.498 1.546 0 50 GDAA NC(=O)N1CCN(Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)CC1 95500408 SVXYANDAOLDGBL-SFHVURJKSA-N 376.501 1.109 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4cnn(C)c4)C3)CCC2=O)cn1 91350680 LOGNEUJBXHRQPH-HXUWFJFHSA-N 382.468 1.564 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 244899893 ZSMDYALXSKEXPM-WKILWMFISA-N 378.436 1.671 0 50 GDAA Cn1cc(CN(C(=O)NCc2csc(N3CCOCC3)n2)C2CC2)cn1 670433858 PRVBRDDYRNYKDQ-UHFFFAOYSA-N 376.486 1.587 0 50 GDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 952985927 BXWYXNIENQFGHP-HNNXBMFYSA-N 378.450 1.815 0 50 GDAA CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)cc1 1565515439 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COc1ccc(/C=C/CN2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 12184674 ILXGDDJCDPXGGH-YZTRRJNXSA-N 399.495 1.701 0 50 GDAA COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 13856426 XSHCPRJPJNWZND-KRWDZBQOSA-N 385.395 1.804 0 50 GDAA CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1N(C)CCc1ccccn1 14980399 DMMACNDTQRDICD-IBGZPJMESA-N 381.480 1.783 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc(OC)nc3)C2=O)cc1 206238309 JMYGIZPSHRFLAM-MRXNPFEDSA-N 398.419 1.591 0 50 GDAA CCCn1nc(CC(=O)NC)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857670630 CKMBPNUWKGCKQB-AWEZNQCLSA-N 397.483 1.972 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ncc[nH]c3=O)C1)CC2 1857695758 WWSHQLYDMLLLAR-FQEVSTJZSA-N 383.452 1.683 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CCc3cc(O)no3)C1)CC2 1857698211 IMMJEWKQAIXVAD-IBGZPJMESA-N 387.440 1.381 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnn4ccn(C)c34)C1)CC2 1857700847 MWVPYJWKDVLGDN-HXUWFJFHSA-N 395.467 1.355 0 50 GDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4ncccn4)C[C@]34CC[C@H]2O4)nc(C)n1 1857711012 XAGSSJIYIVRZEW-DKYLXPRQSA-N 380.452 1.297 0 50 GDAA N=c1[nH]c2cc(C(=O)NC[C@H](c3ccccn3)N3CCOCC3)ccc2s1 1857725190 MBAUQWADLGIGRC-MRXNPFEDSA-N 383.477 1.907 0 50 GDAA Cc1ccc(F)cc1C(=O)NC[C@H]1[C@H]2CN(CCC(=O)O)C[C@]23CC[C@H]1O3 1857731830 QJDSCEXCOVLDOD-TVKQPGBESA-N 376.428 1.818 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 115350515 WTMFUDGMCNGTEG-SFHVURJKSA-N 380.448 1.533 0 50 GDAA COCCn1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 123920263 MMCCSQYAJRNVJM-QZTJIDSGSA-N 387.484 1.534 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 247816150 BHIRUNLZFLLDAW-IRXDYDNUSA-N 380.510 1.420 0 50 GDAA O=C(O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnc(C4CC4)n3C1)CCS2 1875272634 AYGGQHCOTJVGEH-TXCIGDHXSA-N 390.509 1.963 0 50 GDAA CN(C)c1noc(CN2CCC[C@@]3(C2)[C@@H](NC(=O)C2CCCC2)CCN3C)n1 1875392341 AXHJADCTUZVUNL-OXJNMPFZSA-N 390.532 1.481 0 50 GDAA CON1CCC(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)CC1 1875313680 WWBAMTXUZGZESO-UHFFFAOYSA-N 391.287 1.918 0 50 GDAA O[C@H](Cn1cnc2c(N3CCOC[C@@H]3CC3CCC3)ncnc21)[C@@H]1CCCO1 888097135 BRRORBNSGROGCS-BBWFWOEESA-N 387.484 1.762 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2100541029 UATWDSSQUALXHN-UONOGXRCSA-N 376.438 1.100 0 50 GDAA COc1cc2ccc(CNC3=NCCN3CCN3CCOCC3)cc2cc1OC 2325863416 IYZDIROGKJALAM-UHFFFAOYSA-N 398.507 1.950 0 50 GDAA Cc1cc(C(=O)N2CC3(C[C@@H](NC(=O)[C@H]4CCCN4C)c4nccn43)C2)oc1C 2332237536 ACLFLDPRCCCGIS-HZPDHXFCSA-N 397.479 1.599 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(OC)c(OC)cc2OC)C[C@@H]1O 2356159024 IQVDKTAYPYEQBZ-LPHOPBHVSA-N 381.425 1.790 0 50 GDAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)CCCS(N)(=O)=O)C2=O)cc1 2356167116 SVJLYVDUCSKWKL-IBGZPJMESA-N 393.509 1.552 0 50 GDAA O=C(Cn1ccccc1=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356169901 KXCBCYNSMXRETD-CBGDNZLLSA-N 387.480 1.135 0 50 GDAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 4455827 YSKBXUBXPCPNAI-SFHVURJKSA-N 397.406 1.978 0 50 GDAA O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 245977632 CEHVFALBFHDTCS-RKUHIEFHSA-N 382.507 1.450 0 50 GDAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)no1 109063357 UZRFRVMUOYIPNH-OAHLLOKOSA-N 379.438 1.370 0 50 GDAA CCCNC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCS(C)(=O)=O)c2ccccc2O1 225476785 HMLWTKVBPFSGRC-CJNGLKHVSA-N 397.497 1.313 0 50 GDAA O=C(NCc1cc[nH]n1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 225505919 WIKFVHQSCNUZOX-UHFFFAOYSA-N 382.873 1.780 0 50 GDAA O=C(Nc1ccc(Br)nc1)C1=CC=CN2CCS(=O)(=O)N=C12 134244214 SHCMDVBNCXPGST-UHFFFAOYSA-N 383.227 1.280 0 50 GDAA Cc1cc(C(=O)N2CCCn3nc(C(=O)NCCN(C)C)cc3C2)ccc1F 65372003 JOTGSUCIWGERSH-UHFFFAOYSA-N 387.459 1.668 0 50 GDAA COc1cccc2c1OC[C@@H](C(=O)NCc1cccnc1N1CCN(C)CC1)C2 67696898 IXGCQANLNHDSTA-SFHVURJKSA-N 396.491 1.710 0 50 GDAA COc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1 20729701 UNWSPWSXPQZYOD-INIZCTEOSA-N 380.448 1.792 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 119339340 VFZLMJJAGOZAET-UHFFFAOYSA-N 381.484 1.756 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cnn(C(C)C)c1C(F)(F)F)CC2 135138581 MWHYGTCCFVVUMC-JTQLQIEISA-N 386.378 1.966 0 50 GDAA CCOc1ccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)cc1 23360267 PBXLDTBHFDDALJ-NRFANRHFSA-N 389.540 1.965 0 50 GDAA COc1nc2c(cc1C(=O)N1CCC(c3cc(CC(=O)O)[nH]n3)CC1)CCC2 67541826 UWZLTZPSYDZJKL-UHFFFAOYSA-N 384.436 1.949 0 50 GDAA COc1cccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 72441311 JIPWEUKHHWUDIN-UHFFFAOYSA-N 388.453 1.370 0 50 GDAA O=C(CN1CC[C@H]2CCOC(=O)[C@H]21)Nc1ccccc1C(=O)NC1CCCC1 230190856 NMZJOGAGWIUSQQ-LIRRHRJNSA-N 385.464 1.935 0 50 GDAA Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 72446718 TYRMJNQCDSAVDV-IRXDYDNUSA-N 397.541 1.705 0 50 GDAA CCc1noc([C@H](C)N2CCC[C@@H](n3ncc(N(C)CCOC)cc3=O)C2)n1 328605207 MKQIOUREAZZRKE-LSDHHAIUSA-N 390.488 1.669 0 50 GDAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc(C(F)(F)F)c1 36122877 STYOSJDOROUUNV-OAHLLOKOSA-N 385.386 1.967 0 50 GDAA Cn1cnn(CC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1=O 487755473 QVEXCNYZNQJHNE-QGZVFWFLSA-N 392.419 1.264 0 50 GDAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)CCO)CC2)C1 71721658 GQRSKFXYCIMOLR-IBGZPJMESA-N 387.524 1.431 0 50 GDAA NCCCNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71707764 BGKZEVOCTXYINY-HXUWFJFHSA-N 384.568 1.795 0 50 GDAA CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)o1 130657920 ZWQGTLJKNCBBSO-CQSZACIVSA-N 394.424 1.889 0 50 GDAA Cc1cc(F)cc([C@@]2(F)CCN(C(=O)CNS(=O)(=O)c3cccnc3)C2)c1 378128327 OFYLAQRYFWVGFJ-GOSISDBHSA-N 395.431 1.905 0 50 GDAA C[C@@](O)(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1 158701020 GUNUZJAHUZGUOX-OAQYLSRUSA-N 383.496 1.343 0 50 GDAA Cc1cc(NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)nn1-c1cccc(F)c1 372449093 XRKLCRFBSZNBGU-QGZVFWFLSA-N 397.458 2.574 0 50 GDAA O=C(O)c1ccn(-c2cccc(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2)n1 262493984 ZVMPHXHSMRCLHF-MRXNPFEDSA-N 396.447 1.835 0 50 GDAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)NCc2cccc(Cl)c2)[nH]n1 72436545 ROMDGLGXUUXXKX-OAHLLOKOSA-N 376.844 1.919 0 50 GDAA CCC(CC)[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)CC1)N1CCOCC1 174141777 JMCCATJUOMKYEE-LJQANCHMSA-N 392.548 1.389 0 50 GDAA COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c(OC)c1OC 43744122 CJGCRQGMMUDMFB-UHFFFAOYSA-N 386.470 1.000 0 50 GDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)Nc2cc(F)ccc2F)cn1 285468135 ZFPHGEFGFKGEKI-HNNXBMFYSA-N 384.408 1.109 0 50 GDAA O=S1(=O)CC[C@H](N2CCN(c3nncc(-c4cc5ccccc5o4)n3)CC2)C1 19835797 AUIJUPIKDDEYIN-HNNXBMFYSA-N 399.476 1.594 0 50 GDAA CS(=O)(=O)N1CCCN(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)CC1 287306915 KUUZVCHJCRWQHB-ROUUACIJSA-N 391.537 1.857 0 50 GDAA C[C@@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)NCCCc1csc(N)n1 426477198 JWUWWACUWOGLNM-CQSZACIVSA-N 387.509 2.100 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 426652947 NTRMEBXHJYUFDF-QGZVFWFLSA-N 394.410 1.704 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 95369167 WMVKWSHGWYPLIN-CQSZACIVSA-N 388.420 1.272 0 50 GDAA O=C(O)CN1CC2(CCC1=O)CCN(C(=O)NCc1cccc(F)c1)CC2 91664420 UZBDDDCOCVGYKX-UHFFFAOYSA-N 377.416 1.825 0 50 GDAA CCCc1ccc(CN2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)o1 95365922 IFWOWNDLBHTVSP-CRAIPNDOSA-N 385.530 1.297 0 50 GDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)COc2cccnc21 95524917 XVRXBARQBANIGD-UHFFFAOYSA-N 377.404 1.651 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1Cc1ccncc1 91364976 HLKDTIILOJCHPN-FQEVSTJZSA-N 381.436 1.210 0 50 GDAA CC(C)c1nccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)n1 91860339 SLKOXCQJGYHJBH-MJGOQNOKSA-N 389.544 1.451 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)cc(C)o2)CC1 95515248 HSPSYUZFCJADMS-LJQANCHMSA-N 392.496 1.928 0 50 GDAA Cn1ncc(N2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)cc1=O 244893082 YVJFXEHOIVKRQF-UHFFFAOYSA-N 377.395 1.209 0 50 GDAA CCCn1cnnc1CN(C)C(=O)NCC1(N2CCN(C)CC2)CCCC1 534575300 RUSZIVWIPGTUPV-UHFFFAOYSA-N 377.537 1.390 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1scc2c1OCCO2 654837265 GTDVSCBBXUHVCW-LLVKDONJSA-N 397.478 1.945 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 268970180 GIFKDUMUUWBZON-GXFFZTMASA-N 397.225 1.114 0 50 GDAA NC(=O)CN(CC(F)(F)F)S(=O)(=O)c1ccc(OCC(F)F)cc1 170603592 JJPAEDAHUKQEHK-UHFFFAOYSA-N 376.303 1.369 0 50 GDAA C[C@H](c1nnnn1C1CC1)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 191992049 CJJKXPCAPVKIBQ-OAHLLOKOSA-N 375.521 1.478 0 50 GDAA COC(=O)[C@@H](C)NCc1cc(I)c(OC)c(OC)c1 193102559 SVRFRWCLFPGJSZ-MRVPVSSYSA-N 379.194 1.960 0 50 GDAA Cc1cc(N2CCC(CNC(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)cc(C)n1 1506405239 DCZWNNBPNOODJM-KRWDZBQOSA-N 387.484 1.314 0 50 GDAA CN1C[C@H](NC(=O)CCc2n[nH]c3c2CCCC3)c2sccc2S1(=O)=O 1506407845 SJPFUVNCPUTORL-AWEZNQCLSA-N 394.522 1.774 0 50 GDAA CNC(=O)c1noc(CNC(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)n1 1772814087 JOBSTNAUJVQZAR-LLVKDONJSA-N 398.448 1.369 0 50 GDAA O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccccc2)CC1 5612069 JBJQCUNAOPLBAK-GOSISDBHSA-N 388.445 1.360 0 50 GDAA CCOC(=O)c1nn(CCO)c2c1CN(Cc1coc3ccccc3c1=O)CC2 14540302 VSAPEIQJXAEZSV-UHFFFAOYSA-N 397.431 1.717 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)CCn2cncn2)C1)c1cc2ccccc2[nH]1 14948561 ITTLUALQAYHXCB-OAHLLOKOSA-N 380.452 1.818 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccccc2F)no1 169755127 JFXKMVBJCFQYLY-UHFFFAOYSA-N 380.357 1.454 0 50 GDAA O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)N[C@H]1CCO[C@@H]1c1ccncc1 1857529889 MEGIQNHNFQPGLL-UWWQBHOKSA-N 387.461 1.782 0 50 GDAA CC(C)n1nc(CC(N)=O)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857673598 PGLQTBZMZQOUDE-ZDUSSCGKSA-N 383.456 1.882 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2 1857679365 IXSCALFPDCYUQP-HXUWFJFHSA-N 386.452 1.377 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(c3nc(-c4ccccc4)nc4c3CCC4)C[C@@H]12 1857684829 GGLCOBKAXYGPQX-UHOSZYNNSA-N 398.532 1.796 0 50 GDAA CC[C@H](C)CN1CCOC2(CCN(c3cc(OC)nc(=N)[nH]3)CC2)CC1=O 1857687347 SWRVUUXYWJTMKK-AWEZNQCLSA-N 377.489 1.532 0 50 GDAA O=C(N[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@@H]1O)c1ccncc1F 1857706665 ZDGMCQGZKHGAQV-CVEARBPZSA-N 390.484 1.921 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)n1 1857710033 DYQWYABEYIOITE-FPOVZHCZSA-N 399.495 1.196 0 50 GDAA CC(C)CCC(=O)N1CCC([C@H](O)CN2CCN(c3ncccn3)CC2)CC1 1857725786 MXOADZRYGBSHJL-LJQANCHMSA-N 389.544 1.634 0 50 GDAA Cn1cnc(C(=O)N[C@@H]2CN(c3ccnc4cc(Cl)ccc34)CC[C@@H]2O)c1 1857731422 HYDOEJMNTCPITG-QAPCUYQASA-N 385.855 1.991 0 50 GDAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@@H](O)COC2CCOCC2)n1C 328624184 CFZQHDJPZWKQFK-CRAIPNDOSA-N 379.501 1.468 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1OC 237201297 DTNXDHQHPAIZNS-ONGXEEELSA-N 393.303 1.872 0 50 GDAA CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)ccc2c1=O 133628854 XLGPIFMACROFTL-UHFFFAOYSA-N 394.431 1.972 0 50 GDAA CC(C)(C)C[C@H](O)CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 368246516 XGZCOOXAPTXOIV-MRXNPFEDSA-N 389.562 1.439 0 50 GDAA CS(=O)(=O)Cc1nc(-c2ccc3nc(Cl)nn3c2)n(C2CCOCC2)n1 1875348630 XIWJYVKOQWRPGS-UHFFFAOYSA-N 396.860 1.537 0 50 GDAA CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 1875311114 NJKPBWLMHCLDQU-JKSUJKDBSA-N 389.433 1.924 0 50 GDAA CN(C)C(=O)C12CC(CNC(=O)c3cccc4c[nH]nc34)(C1)OC21CCNCC1 1875393932 UVPALXRKGAXYTE-UHFFFAOYSA-N 397.479 1.052 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN=c2cc[nH]cc2Br)ncn1 1875398917 IYSTWHGRLAMFFM-VXGBXAGGSA-N 393.289 1.174 0 50 GDAA COc1ncc(C(=O)NC[C@]2(C)CN(c3cc(C(C)C)ncn3)CCO2)cn1 1775991365 JXGIHUSUHVBFPS-LJQANCHMSA-N 386.456 1.424 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@@H]1CCc2c[nH]nc2C1 2100477625 CXBPONULRRLPOP-MRXNPFEDSA-N 378.432 1.975 0 50 GDAA COc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(N)=O)c2ccccc23)cc1 6997302 LIFCFILTAVHTJZ-LJQANCHMSA-N 383.429 1.460 0 50 GDAA COc1ccccc1[C@H](N)CNC(=O)c1nc2ccc(Br)cn2n1 2325857137 QORSJUPADLXAOO-GFCCVEGCSA-N 390.241 1.930 0 50 GDAA CCN1C(=O)C[C@H](N2CCN(c3ccc(C(=O)c4ccncc4)cc3)CC2)C1=O 1070531 OAXPUSZXUSRALK-IBGZPJMESA-N 392.459 1.582 0 50 GDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356135530 IUEWKRGJRHMLDP-HKUYNNGSSA-N 376.428 1.661 0 50 GDAA CCCn1nc(N(C[C@@H]2Cc3c(C)nc(C)nc3O2)S(C)(=O)=O)cc1C 2356155870 MJTPUWFDHVCLHT-AWEZNQCLSA-N 379.486 1.778 0 50 GDAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCOCC1 4999263 LGNIOQWAMYLJEM-UHFFFAOYSA-N 391.449 1.041 0 50 GDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 101327966 DUBDPIHYPRMMEX-HOTGVXAUSA-N 385.439 1.816 0 50 GDAA Cc1ccnc(NC(=O)c2cccc(CN(C)[C@@H]3CS(=O)(=O)C[C@H]3O)c2)c1 67769522 XJCAXAVFDMKTKT-IAGOWNOFSA-N 389.477 1.232 0 50 GDAA O=C1CN(C(=O)c2cnc3ccccn3c2=O)CCN1Cc1cccc(F)c1 20867830 ZAGJDRKZMRRTCD-UHFFFAOYSA-N 380.379 1.318 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)cc1 65433180 UHAIYPFALOLPPB-GFCCVEGCSA-N 380.426 1.086 0 50 GDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(O)=N4)C2)n1 328615165 XYQQVXRNMOQSSW-QGZVFWFLSA-N 392.437 1.539 0 50 GDAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN4C(=O)CNC4=O)C3)C2)c1 72137303 BRXWUVHDOKLYBC-OAQYLSRUSA-N 384.480 1.361 0 50 GDAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 253483586 FUMJIGZXKCJKFG-SJORKVTESA-N 382.416 1.864 0 50 GDAA CCc1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1C 478070818 CZCIAHBCPHFXHJ-UHFFFAOYSA-N 394.475 1.944 0 50 GDAA Cc1oc(-c2ccccc2Cl)nc1CN1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 72435017 HKDOBDOLASYELH-INIZCTEOSA-N 388.855 1.788 0 50 GDAA COc1nc(N2CCCCCC2)nc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1 366827016 UIBJQTCCLPUYLS-BZUAXINKSA-N 377.489 1.627 0 50 GDAA O=C(Nc1ccc2c(c1F)CCNC2)C1CCN(c2ccc3nncn3n2)CC1 261667890 GBZDJMJRXBASLL-UHFFFAOYSA-N 395.442 1.764 0 50 GDAA Cn1nc(NC(=O)C[C@@H]2NC(=O)NC2=O)c2c(Oc3cccnc3)cccc21 72479167 OTDDINJKTMWYGQ-NSHDSACASA-N 380.364 1.297 0 50 GDAA CCN1CCN(C(=O)[C@H](C)N2CCCN(Cc3nc(C)c(C)o3)CC2)CC1 370812442 VSWCHUDCSZVYCD-KRWDZBQOSA-N 377.533 1.352 0 50 GDAA Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC23CCOCC3)cn1 333110535 SAQGYHHJJRDCRN-RDJZCZTQSA-N 388.512 1.790 0 50 GDAA Cc1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)nnn1C1CCNCC1 237746268 IMPLFWHHYBTVGG-UHFFFAOYSA-N 393.455 1.752 0 50 GDAA Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@@H](c2ccnc(N)n2)C1 374578056 HKVGATCHJNBVNH-OAHLLOKOSA-N 392.529 1.296 0 50 GDAA O=C1CN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CCCN1 48501669 NQYFPGIQWTYNSJ-UHFFFAOYSA-N 392.463 1.198 0 50 GDAA Nc1nnc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)s1 426549177 NTVPBDGXBAHGAU-UHFFFAOYSA-N 381.465 2.108 0 50 GDAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C 289868891 NPZBTHUZBQOKPH-HNNXBMFYSA-N 388.555 1.812 0 50 GDAA CC1=c2cc(Br)ccc2=N/C1=C(\O)N(C)[C@H]1CCS(=O)(=O)C1 334158603 XDDGOVBHVKPHIK-ICFTUWFRSA-N 385.283 1.099 0 50 GDAA CS(=O)(=O)c1ccc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1 91425259 MOQDIAAHCNEGBK-QUCCMNQESA-N 396.553 1.385 0 50 GDAA Cc1cn(Cc2nc(CC3CC3)nn2C2Cc3ccccc3C2)c(=O)[nH]c1=O 96165298 AOSPACSRMOPLLP-UHFFFAOYSA-N 377.448 1.777 0 50 GDAA Cc1ccc(C(=O)NC[C@H](O)COC2CCCCC2)cc1N1CCNC1=O 92020391 NCJLTFGDNXAZMR-INIZCTEOSA-N 375.469 1.965 0 50 GDAA CC1(C)CN(Cc2cccc(OC[C@H](O)CN3CCC(O)CC3)c2)CCO1 95529770 FXKDIDJIJPAFFB-LJQANCHMSA-N 378.513 1.494 0 50 GDAA Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](N)c3c(C)n[nH]c3C)CC2)cc1 91487184 FAQCESDBLFFSCV-IBGZPJMESA-N 383.496 1.890 0 50 GDAA Cn1nccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91619877 DCKMZVZQTBYUCO-UHFFFAOYSA-N 382.468 1.460 0 50 GDAA Cc1noc2ncc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cc12 184517906 FAVOCIXBPWIGRE-SFHVURJKSA-N 394.431 1.731 0 50 GDAA CNC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)oc1=O 263586789 XYWFFFYHYVKGEI-LBPRGKRZSA-N 377.393 1.948 0 50 GDAA biogenic COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cn1cccc1)C2 299785581 KOBPUHFVCAWDHS-SBHAEUEKSA-N 375.513 1.854 0 50 GDAA Cc1ncccc1C(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299788421 SGKQJBRSQABYHQ-SFHVURJKSA-N 386.496 1.364 0 50 GDAA NC(=O)[C@H]1C(=O)N(CCc2ccco2)[C@@]23CCOC[C@H]2[C@H]1c1ccccc1O3 826828549 WAFGNQQTCIYZCS-CQSHLORDSA-N 382.416 1.675 0 50 GDAA biogenic Cc1c(NC(=O)CN(C)C)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 823678287 FWHCTOITVSNQAV-UHFFFAOYSA-N 389.500 1.827 0 50 GDAA COCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 408521441 ULJMFQLLHUFMIY-UHFFFAOYSA-N 385.467 1.149 0 50 GDAA CCO[C@H]1C[C@@](O)(CNC(=O)Cn2cc(Br)ccc2=O)C1(C)C 191754234 PHBMHDHSSVRIBC-BLLLJJGKSA-N 387.274 1.293 0 50 GDAA Cc1cccc(NC(=O)CC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c1 1506407024 NJXNHWNKQHFQNY-OAHLLOKOSA-N 387.436 1.248 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CSc1ccccn1 1529184606 BNDYCABJLAENES-ZDUSSCGKSA-N 380.495 1.985 0 50 GDAA Cc1ccc2c(C(=O)NC3CCN(C4CCS(=O)(=O)CC4)CC3)cnn2c1 1772701782 ABHRYYIYVGODMJ-UHFFFAOYSA-N 390.509 1.414 0 50 GDAA CCn1nc(C)c(CN2C[C@@H]3COC[C@H](C2)N(c2ncnc4[nH]cnc24)C3)c1C 1772709682 LMVARTRPOOWEOZ-HOTGVXAUSA-N 396.499 1.523 0 50 GDAA CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772805099 YVJGFMRSMOSGCT-ZDUSSCGKSA-N 394.522 1.318 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4cccc5cc[nH]c45)C[C@]3(CO)C2)no1 1772703528 GLAYPSCVLMZVER-QVKFZJNVSA-N 394.431 1.671 0 50 GDAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1csc2nc(-c3ccccc3)cn12 12434213 FUDCDFLIYTZIRD-CQSZACIVSA-N 398.444 1.567 0 50 GDAA Cc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(C)c2n1 12446274 LUDASIDMYAIRFF-UHFFFAOYSA-N 380.448 1.461 0 50 GDAA O=C(NCc1ccccc1)[C@@]12CCCCN1C[C@@H](NS(=O)(=O)CC1CC1)C2 1857695220 ZVKBNEOCASDDJF-ICSRJNTNSA-N 391.537 1.629 0 50 GDAA Cn1ncc2c(O)nc(CN3CCC4(CC3)C[C@H](O)C[C@H](C(C)(C)C)O4)nc21 1857697883 PYJXGUAGAPZLIP-UKRRQHHQSA-N 389.500 1.990 0 50 GDAA CCC(C)(C)NC(=O)CN1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3 1857717009 IBGOLDYELMIBAL-BIZBXSGISA-N 377.529 1.687 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCc2c(O)ncnc2C1 1857731265 NFQLMUFQCGJRDY-CYBMUJFWSA-N 394.435 1.910 0 50 GDAA CCc1c(C)nc2nc(=NC(=O)[C@H](c3cccnc3)N3CCCC3)[nH]n2c1O 1875241055 NJEUMQHIFNQAPH-HNNXBMFYSA-N 381.440 1.293 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCc3nn(C)c(=O)cc3C2)n1 328650609 VOPAYQMFIAVTHR-APWZRJJASA-N 384.484 1.749 0 50 GDAA O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 20351272 RGJCUWKSKJYBOS-UHFFFAOYSA-N 395.525 1.313 0 50 GDAA CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nn1 837245497 ZUGNWGFULBZZEA-GJZGRUSLSA-N 379.461 1.645 0 50 GDAA O=C(c1ccc(-n2cncn2)cc1)N1C[C@@H]2CN(c3nccnc3F)C[C@@H]2C1 1875309949 WBTYHZHYGHGKKV-GASCZTMLSA-N 379.399 1.405 0 50 GDAA CN1CC[C@@H](NC(=O)c2nn(C)c3c(=O)[nH]cnc23)[C@@H]1c1ccc(Cl)cc1 1875404125 WBIBVXHMQHAXQM-DOMZBBRYSA-N 386.843 1.485 0 50 GDAA CCC[C@H](C)C(=O)N1CC2(CCOCC2)C[C@@H]1CNC(=O)C(C)(C)C(N)=O 1775997429 HFSXDQORWLHGHW-LSDHHAIUSA-N 381.517 1.448 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2nnc(O)c3ccccc23)C1 1320055164 ZHUZZWSHWXUQHS-CYBMUJFWSA-N 394.435 1.966 0 50 GDAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 1423857 LVPOCJPYJZYXIP-UHFFFAOYSA-N 397.391 1.783 0 50 GDAA CN=c1[nH]c(N2C[C@H]3CS(=O)(=O)C[C@]3(c3ccccc3)C2)ncc1Cl 2325780821 RHXVQRUKFZQQNP-GUYCJALGSA-N 378.885 1.396 0 50 GDAA NC(=O)[C@@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@@H](CO)C1 2325804084 UNZUVYPBOBUYQN-XHDPSFHLSA-N 379.258 1.296 0 50 GDAA Cc1c(C(=O)NS(=O)(=O)c2cncc(OC(C)C)c2)cnc2ccnn12 2325820002 XMMDQRPEJMBKNT-UHFFFAOYSA-N 375.410 1.339 0 50 GDAA C[C@H](CN(C)C(=O)C[C@@H]1CCCCC1(F)F)NC(=O)C[C@@H]1COCCO1 2325825483 RFEXVVQXEVMHHI-QLFBSQMISA-N 376.444 1.971 0 50 GDAA Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCOCC2)cc1 2356159524 FGUFLOZXUMGOLQ-OALUTQOASA-N 386.496 1.212 0 50 GDAA Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F 3938688 KDKUVYLMPJIGKA-UHFFFAOYSA-N 394.363 1.218 0 50 GDAA in-vivo CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 20453887 BHXUYAPUDATAKC-GOSISDBHSA-N 380.533 1.197 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCCCOCC)C2 20909597 SGZQHHDQFQGNSS-QGZVFWFLSA-N 391.560 1.554 0 50 GDAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCN2C(=O)CNC(=O)[C@H]2C1 67921572 NFJQPDOTRQISFK-OAHLLOKOSA-N 376.363 1.071 0 50 GDAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CN1CCN(c2ccccn2)CC1 11812844 UGSSJLPBOKHKPY-QHCPKHFHSA-N 394.519 1.800 0 50 GDAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 32498339 UGLNSRSZAAEWDF-UHFFFAOYSA-N 376.906 1.736 0 50 GDAA CC(C)N(CCC(N)=O)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71749916 ULZUCBUVNYCUEP-HNNXBMFYSA-N 390.484 1.088 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c1 72115742 IJZQRMGJWJRYRY-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCC[C@H]3CCCN3)nc2c1=O 72429729 SYMMLJSIRSSKMD-OAHLLOKOSA-N 383.427 1.711 0 50 GDAA CN1C(=O)C[C@H](C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@H]1c1ccnn1C 367819958 AOCVMINUEFWMFT-VOJFVSQTSA-N 385.399 1.602 0 50 GDAA O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1[nH]nc2c1CCCC2 127260965 ZDYLNCACWJRXFX-GFCCVEGCSA-N 389.481 1.974 0 50 GDAA O=C(c1cscn1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71763119 DUWFKELRRGIFKS-OAHLLOKOSA-N 392.525 1.319 0 50 GDAA O=C1NCCN(Cc2ccccc2C(F)(F)F)[C@@H]1CC(=O)N1CCC(O)CC1 72138831 XTJRQHKWMABMHB-MRXNPFEDSA-N 399.413 1.379 0 50 GDAA CNC[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 237336293 MSQCLYAGOUEGRG-QZTJIDSGSA-N 393.553 1.854 0 50 GDAA COc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@H]2O4)cc1 227114432 MSXYNHFYQVUZTD-YXTQBTIXSA-N 394.427 1.887 0 50 GDAA CC(=O)c1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)cc1 82097659 UTBPRMRJIDHIJA-UHFFFAOYSA-N 383.452 1.903 0 50 GDAA CCc1nsc(N2CCCN(Cc3csc(CC(=O)NC)n3)CC2)n1 177659543 FVEPRILWFDUALR-UHFFFAOYSA-N 380.543 1.558 0 50 GDAA Cn1ncc2cc(-c3ccc(C(=O)N4CCNC(=O)[C@@H]4CCO)cc3)ccc21 426633844 HVSIRBVQDKPPKH-IBGZPJMESA-N 378.432 1.563 0 50 GDAA CCN1CC2(CCN(C(=O)c3ccc(Cn4nnnc4C)cc3)CC2)CC1=O 95527576 WYZMQKKYWXOILP-UHFFFAOYSA-N 382.468 1.504 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)NCc1csc(-c2ncccn2)n1 91439989 AZGGGPOJJQUBJB-UHFFFAOYSA-N 378.417 1.626 0 50 GDAA O=C(O)CCOCCOCCOCCOCCNC(=O)OCc1ccccc1 96307096 QGTQYXJCFILXDO-UHFFFAOYSA-N 399.440 1.454 0 50 GDAA in-vitro Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@@H](Cn2ccnc2)C1 96161809 XQFIPNMOFUVXIC-AWEZNQCLSA-N 377.470 1.783 0 50 GDAA COCCc1noc([C@H]2CCCN(C(=O)NCCSc3nccn3C)C2)n1 426555879 JBSSDVPZHIWBKZ-ZDUSSCGKSA-N 394.501 1.673 0 50 GDAA CN(CCN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O)S(C)(=O)=O 91915013 SWTSAUDHBJOZKV-GOSISDBHSA-N 382.482 1.478 0 50 GDAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cncn1 91871605 HSZRMZVJXSDJLU-INIZCTEOSA-N 382.468 1.666 0 50 GDAA Cc1nccn1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 23153382 GXNUVCBHLVRQDT-GOSISDBHSA-N 387.459 1.180 0 50 GDAA NC(=O)C1(N2CCCCC2)CCN([C@@H](C(=O)O)c2ccc(N)c(F)c2)CC1 95372011 QKXSPDCELPXTAD-MRXNPFEDSA-N 378.448 1.339 0 50 GDAA CCCc1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)n(C)n1 95379918 WTNCVHKURUUJFF-YYIAUSFCSA-N 378.517 1.162 0 50 GDAA COCc1cc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)ccc1OC 95376245 LHZVWEFSVNLWNW-NRFANRHFSA-N 375.513 1.970 0 50 GDAA CCCCN1C(=O)[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(CCCC)C(=O)[C@H]43)[C@H]2C1=O 239287361 CQTGTFWTWVGWGS-YNSXVIEXSA-N 384.476 1.851 0 50 GDAA CN1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@]12CCNC(=O)CC2 95355951 UUGUOLMLCQGDLI-IBGZPJMESA-N 387.509 1.575 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc(Cl)c(F)c1 244734831 NMOQZNBHXZVMAX-GDBMZVCRSA-N 377.803 1.880 0 50 GDAA CC[C@](C)(CC(=O)O)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 299747656 DOFFHBWJWDFFNC-HXPMCKFVSA-N 378.425 1.816 0 50 GDAA N[C@H]1CCN(C(=O)c2cccc(-c3cc(C(=O)N4CCOCC4)ccn3)c2)C1 534580408 FSLOLIFGHBVBDR-SFHVURJKSA-N 380.448 1.394 0 50 GDAA Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)cnn1C 36002194 GNKPIMWCTMKOLJ-CWRNSKLLSA-N 382.530 1.824 0 50 GDAA Cc1noc2nc3c(c(C(=O)N[C@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4O)c12)CCC3 1940197159 WARLHMVSARZYTP-UVBJJODRSA-N 398.463 1.558 0 50 GDAA COc1cccc2c1OC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C2 824804797 MYMKJWXNYALUNB-OAHLLOKOSA-N 390.461 1.825 0 50 GDAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)cn2)c1 824788012 VBEKNEQWNWSVLK-CYBMUJFWSA-N 395.419 1.979 0 50 GDAA O=C(Cn1cnc2ccsc2c1=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 827861392 HBLLIVABUUGURL-LBPRGKRZSA-N 386.433 1.472 0 50 GDAA O=C(c1conc1-c1ccccc1)N1CCC(N2CCN(CCO)CC2)CC1 952871687 BFZSHMIKGNSHJJ-UHFFFAOYSA-N 384.480 1.556 0 50 GDAA CN1CCC(Nc2ccccc2NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1 170678367 ADRVKVWQLKHIHR-UHFFFAOYSA-N 394.435 1.370 0 50 GDAA COC(=O)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1cccs1 747328235 XNWYXOGKGCLGLV-SMDDNHRTSA-N 386.433 1.417 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)N1 1704299050 MGJJUTPKFSDJMS-AWEZNQCLSA-N 383.370 1.659 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(S(C)(=O)=O)C[C@]2(CCc2ccccc2)C1 1772807797 AUYUCMSDUIBQCZ-ICSRJNTNSA-N 388.537 1.746 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@H](C2(O)CC2)C1 1775984003 GAXFTJKBZHTGLQ-CQSZACIVSA-N 377.466 1.807 0 50 GDAA COc1ccc(CCNC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1OC 5387883 MPUWWHSIICOAPP-UHFFFAOYSA-N 383.404 1.879 0 50 GDAA CCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)on1 11879388 VLKDDBDZKWJWGC-IBGZPJMESA-N 384.480 1.677 0 50 GDAA Cc1nn(C)cc1CNC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12385551 CLDQCIWFWVJREB-LJQANCHMSA-N 378.423 1.650 0 50 GDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCCc1ccccc1)C2 14537018 IAFUWBCOBULNPZ-LJQANCHMSA-N 395.551 1.980 0 50 GDAA COc1ccc(CN2C[C@@H](OC)CN(C(=O)CCc3cnccn3)CC2=O)cc1 14741280 HKGLTTRZLDYGFB-LJQANCHMSA-N 398.463 1.304 0 50 GDAA NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 17481509 NCBNERPNYFGKGV-UHFFFAOYSA-N 389.433 1.059 0 50 GDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 169688366 HZWPOLHNDNVIIT-WLEINZGESA-N 380.444 1.381 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3cccnc3)C2=O)cc1 206244415 MLWDIECJJYWNBB-QGZVFWFLSA-N 382.420 1.260 0 50 GDAA Cc1ncn(C)c1-c1nc([C@@H]2CCCN(C)C2)nn1-c1ccc2nncn2n1 1857710817 RFKUFPFKTFMLTQ-CYBMUJFWSA-N 378.444 1.223 0 50 GDAA Cc1nc2sccn2c1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857713547 PBUHUPPDPJPJJY-HOCLYGCPSA-N 388.497 1.582 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857716926 HBGWTQYJACIRCE-OXQOHEQNSA-N 391.475 1.253 0 50 GDAA CC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)C[C@]23CC[C@H]1O3 1857718957 BMXBZCPSGYJMIJ-DODZYUBVSA-N 378.494 1.608 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc5c(=O)n(C)cnc5c4)[C@@H]2CC(=O)N13 1857730712 ZIJLKRFOIMPNOK-FVJLSDCUSA-N 396.447 1.131 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCC(C)(C)N3CCCC3)CC2=O)s1 1857740733 XKKFCIXZCVHJPI-CYBMUJFWSA-N 379.530 1.834 0 50 GDAA COC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1 1875248129 YQALPANBHBYDHW-JPAWQOSXSA-N 381.428 1.682 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OC(F)(F)C(F)F)C2 1875248628 CHYPECWPHLTLKD-MNOVXSKESA-N 390.333 1.853 0 50 GDAA O=C1C[C@]2(CCCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)C2)CN1 408252086 LUDHQIKRNYJBRY-BFUOFWGJSA-N 390.871 1.757 0 50 GDAA CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1=O 267225800 BNRPSFFLXJYGCX-ZBFHGGJFSA-N 386.452 1.583 0 50 GDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)o2)c1C 1704309842 SQIVLCZLOKMKJL-KBPBESRZSA-N 380.470 1.238 0 50 GDAA O=C1NCCO[C@@H]2CCCN(C(=O)COc3cccc(Br)c3)[C@@H]12 830066677 KQDVMVVVOVWTAC-UKRRQHHQSA-N 383.242 1.334 0 50 GDAA CC(C)Cn1[nH]c(CC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1=O 935424619 FKJDTCZCTCPSDN-MRXNPFEDSA-N 377.407 1.927 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC([C@@H](O)C(=O)O)CC3)C2)cc1 1875307219 KXSJTJUGXUQVGM-QZTJIDSGSA-N 388.464 1.531 0 50 GDAA NCC[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)C1 1875306399 DOUYHGRVADPPOL-KCMWZYNZSA-N 393.915 1.508 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)N1CC2(CCCO2)C1 888100265 CBZCZSGQDLWKDC-UHFFFAOYSA-N 389.437 1.674 0 50 GDAA CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc3c(n2)OCCO3)CC1 1775989202 GRSZMLGJUVZIEJ-RHSMWYFYSA-N 391.468 1.323 0 50 GDAA Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H]1O 2100483910 QJAPGQXSKOYFAR-BZSNNMDCSA-N 382.464 1.481 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2nccs2)cc1OC 2100539455 JDUYZAYOPGUIEB-SJORKVTESA-N 391.449 1.075 0 50 GDAA CN(C)c1ncnc2c1cc(C(=O)Nc1ccc(CO)c3c1CCNC3)n2C 2325778726 MJZCNFYOMBQDGA-UHFFFAOYSA-N 380.452 1.425 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(CCNC(=O)c3cccs3)cc2)CC1 1857798079 MTBVFSLATSUPIK-UHFFFAOYSA-N 393.534 1.657 0 50 GDAA Cc1ncc2c(n1)[C@@]1(CCCN(c3cc(N4CCN(C)CC4)[nH]c(=N)n3)C1)CC2 2356137929 AWRBVTLAKZQLIX-NRFANRHFSA-N 394.527 1.224 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 4385416 VSWSACLISHAWCM-UHFFFAOYSA-N 379.463 1.936 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1cccs1 4867139 BWTNSSGITQEKDH-CBAPKCEASA-N 380.447 1.537 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 6661338 DXSJZDYARZIXAM-LJQANCHMSA-N 382.416 1.820 0 50 GDAA O=C(COc1ccccc1Br)N1CCN(c2ncccn2)CC1 7399990 GSAVRUPZSHIQTG-UHFFFAOYSA-N 377.242 1.967 0 50 GDAA C[C@@H](CCCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 225550925 UURQMDNNDJYPEL-VIFPVBQESA-N 375.390 1.419 0 50 GDAA COc1cc2nc(N3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)nc(N)c2cc1OC 420617004 IXLOOMHUWRBOQC-IUCAKERBSA-N 385.346 1.329 0 50 GDAA CC(C)(CO)NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2cncn2)s1 23251249 TZCXFMHRBPEMSP-LBPRGKRZSA-N 377.470 1.204 0 50 GDAA CCCN1CC[C@H](CNC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 249518842 UANSMLDMMZVOTD-IRLDBZIGSA-N 388.556 1.997 0 50 GDAA O=C1C[C@@H](C(=O)NC[C@H]2CCCO2)Cc2nc(NC(=O)C3CCC3)sc21 20326876 VBRPHTDIOLHEMQ-NWDGAFQWSA-N 377.466 1.922 0 50 GDAA Cn1nc(CC2CCN(C(=O)c3cccnn3)CC2)n(-c2ccccc2)c1=O 67834496 MZGZEDIRCGMTHB-UHFFFAOYSA-N 378.436 1.456 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)Nc3ccc(C)cc3)nn2)CN1 67842930 OTNMYOUCOAGSMD-GJZGRUSLSA-N 385.472 1.292 0 50 GDAA O=C(NS(=O)(=O)CCC(F)(F)F)[C@@H]1CCCN(C(=O)N2CCCC2)C1 252492248 MGPJNNLMLHPJLZ-LLVKDONJSA-N 385.408 1.313 0 50 GDAA COc1cccc(C(=O)N2CCCN(CCn3c(=O)oc4cccnc43)CC2)c1 252539692 OJHQHKHOMWMNOK-UHFFFAOYSA-N 396.447 1.846 0 50 GDAA CN1CCN(C(=O)c2csc(-c3cccs3)n2)[C@H]2CS(=O)(=O)C[C@H]21 72418315 JLWIHBWNXFMTLH-NEPJUHHUSA-N 383.520 1.425 0 50 GDAA CCN(Cc1noc(C)n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)o1 72120938 ZKFLLTFSYVUXKY-OAHLLOKOSA-N 375.429 1.019 0 50 GDAA CCN1CC2(CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)OC1=O 72453598 CNWZPLCHGPDFQK-MRXNPFEDSA-N 375.473 1.874 0 50 GDAA CNC(=O)Cn1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C 72476140 HVCKLIXFBGNIOE-CQSZACIVSA-N 380.452 1.834 0 50 GDAA CN1CCN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)C[C@@H]1CCO 72463052 CIASAFJCXMRBDP-FQEVSTJZSA-N 378.480 1.891 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1 120155695 JUHHHCOSOSKDHW-UHFFFAOYSA-N 395.394 1.124 0 50 GDAA O=C(N[C@H]1CCc2nnnn2CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 333721227 JSDMYWGHHVWNEH-KSZLIROESA-N 381.484 1.151 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CN(c2nccc(CCC(F)(F)F)n2)CCN1 72158472 OVSPARBOMFPPHT-HNNXBMFYSA-N 394.401 1.461 0 50 GDAA C[C@H](CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C1CCNCC1 237548387 LDOBNOQBNJPBHO-OAHLLOKOSA-N 375.517 1.414 0 50 GDAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)O)c1 237655581 XAPHKFBFDWCOFQ-UONOGXRCSA-N 386.370 1.765 0 50 GDAA COCc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 71714783 QAVWHVIIMUCUKU-KRWDZBQOSA-N 387.528 1.926 0 50 GDAA Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 286061881 USBYRRGKQPEJAE-QGZVFWFLSA-N 397.884 1.458 0 50 GDAA CCCC(=O)N1CCN(C(=O)c2ccc(CC)s2)[C@H]2CS(=O)(=O)C[C@H]21 82098341 QAQPVQDTKNKYGP-KGLIPLIRSA-N 384.523 1.561 0 50 GDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1(F)F 289865836 VUQYMXCNTAONOB-CYBMUJFWSA-N 388.392 1.544 0 50 GDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1ccccc1OC 49765296 RQUFFEJZUDAAQR-IAGOWNOFSA-N 388.468 1.039 0 50 GDAA Cn1nnc(-c2cccc(NC(=O)N3CCC(Oc4ncccn4)CC3)c2)n1 426556025 PZTJCXMOJWWEMA-UHFFFAOYSA-N 380.412 1.742 0 50 GDAA CCCc1nc(C)sc1C(=O)N=c1cc(C)[nH]n1[C@H]1CCS(=O)(=O)C1 334159140 DIMPZYPFLNSAAV-LBPRGKRZSA-N 382.511 1.943 0 50 GDAA CN1CC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCCc3ccco3)c2)C1 95362140 HFZMEYUAVNTKPH-OAHLLOKOSA-N 377.466 1.235 0 50 GDAA Cc1cccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)n1 97711820 NVBVCEVLLMRSHM-UHFFFAOYSA-N 378.429 1.139 0 50 GDAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCN(Cc2nc[nH]n2)CC1 426414923 ZWKNSGVZHUFMAN-IBGZPJMESA-N 397.527 1.859 0 50 GDAA CCOc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)N2CCOCC2)CC1 95386906 XSMVTCRENZTILJ-SFHVURJKSA-N 376.453 1.782 0 50 GDAA O[C@H]1CCN(c2ccnc(N3CCN(c4nc5ccccc5s4)CC3)n2)C1 95517803 BHIZVZGXTBITPA-AWEZNQCLSA-N 382.493 1.984 0 50 GDAA COc1cccc([C@H]2CCCN2C(=O)c2cnc(Cn3cncn3)nc2O)c1 91548138 QHWLSEDWBSSEIE-MRXNPFEDSA-N 380.408 1.808 0 50 GDAA CSc1ncc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cn1 91693941 ABGNQVCDDFTSED-SFHVURJKSA-N 380.514 1.134 0 50 GDAA COc1cc2c(cc1NC(=O)N(Cc1cnn(C)c1)C1CC1)n(C)c(=O)n2C 96136023 MUUGNOTXTNNIQZ-UHFFFAOYSA-N 384.440 1.816 0 50 GDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc(O)c2ccccc2n1 253623898 SCLYJZYHEHNLIJ-SFHVURJKSA-N 390.443 1.968 0 50 GDAA biogenic Cc1nnc(SCCCNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)s1 252669863 IVZBXCAJWQXQNT-TXEJJXNPSA-N 381.531 1.793 0 50 GDAA NCCCOc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 299775507 GEGPPVQOOVTJBD-UHFFFAOYSA-N 390.871 1.994 0 50 GDAA CN1CCN(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 670447800 VJWNYCQWGAESSG-IBGZPJMESA-N 380.558 1.686 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)c3cc4c(nc3O)CCC4)[C@@H](O)C2)cs1 1565511925 DGAQGDVZHDZILV-IRXDYDNUSA-N 388.493 1.406 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1 275487014 AJCQIRJNBHXMFO-SFHVURJKSA-N 376.453 1.865 0 50 GDAA Cc1ccc(-n2[nH]c(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)cc2=O)cc1 278608232 JQMBKBQFCVMRKO-UHFFFAOYSA-N 377.466 1.513 0 50 GDAA CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnc(-c3ccccc3)nc1)CC2 187223098 SZXOGPWTSWPOSC-AWEZNQCLSA-N 384.465 1.591 0 50 GDAA CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c[nH]nc1-c1cc2ccccc2o1 188225370 LPHLGPBNBYSFLJ-OAHLLOKOSA-N 384.436 1.588 0 50 GDAA Cc1ccc2c(c1)OCCN2S(=O)(=O)c1c(C)nn(CCN(C)C)c1C 189436710 ZQTVFHUNQVXWFD-UHFFFAOYSA-N 378.498 1.958 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CN2CCCCCC2)cc1OC 1529092019 UEHNVYKVRNDQJO-TZIWHRDSSA-N 392.496 1.841 0 50 GDAA Cc1c(Cl)cccc1-n1nnc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 11690354 KBNRGLRVFJAMGW-LBPRGKRZSA-N 382.873 1.797 0 50 GDAA Cn1ncc2c(=O)n(CCC(=O)N3CC(Cc4ccc(Cl)cc4)C3)cnc21 1857531649 JZNQHDOUGPEVFE-UHFFFAOYSA-N 385.855 1.875 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857679165 YDFGVVDHDYFTTB-UHFFFAOYSA-N 379.468 1.902 0 50 GDAA Cc1nc(CCNC(=O)[C@]23COC[C@H]2CN(C(=O)NC(C)C)C3)sc1C 1857705393 FTYWLCVURDDTLO-RDTXWAMCSA-N 380.514 1.485 0 50 GDAA CN(C)C[C@H]1[C@H]2CN(C(=O)CN(C)Cc3ccc(F)cc3)C[C@]23CC[C@H]1O3 1857717256 ONSVDJNNGKZRJG-QEUVDIPISA-N 375.488 1.825 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCc4nc(=N)[nH][nH]4)C3)nc2c1 1857724671 MPTSPEQNCVOSKV-LLVKDONJSA-N 385.428 1.290 0 50 GDAA N=c1[nH]c(CCNC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)cs1 1857727995 IWJVEWODICSAQP-JTQLQIEISA-N 387.490 1.877 0 50 GDAA CC(=O)NC[C@H]1CCn2ncc(C(=O)NC[C@@]3(c4ccccc4)CCOC3)c2C1 1875297548 WIGDKXAIHFPXBP-JTSKRJEESA-N 396.491 1.670 0 50 GDAA COCC[S@](=O)Cc1cccc(NC(=O)c2cn(C[C@@H]3CCCO3)nn2)c1 1875274164 OVOPSBULOGPOLG-OQRWROFFSA-N 392.481 1.605 0 50 GDAA Oc1nc(O)c2c(n1)CN(C[C@H]1CCC3(CCC4(CC3)OCCO4)O1)CC2 1875311799 AVGSQVVVGLYSIT-CYBMUJFWSA-N 377.441 1.481 0 50 GDAA CNC(=O)c1ccc(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)cc1 1875396790 BONJILFLBIHETD-QGZVFWFLSA-N 396.495 1.181 0 50 GDAA COC(=O)C1(CN)C[C@@H]2CN(C(=O)[C@@H](CN)Cc3ccc(Cl)cc3)C[C@H]2C1 1875304201 DAEIVWTXQFZHLD-BZUAXINKSA-N 393.915 1.444 0 50 GDAA O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402273 DMBMMCDICWLAHC-ATZDWAIDSA-N 398.463 1.345 0 50 GDAA CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)c(F)c2)CC1 888103645 RCFLCADVLGDSFX-RBUKOAKNSA-N 392.450 1.944 0 50 GDAA Cc1nc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCc3cccnc3)C2)cs1 2100482630 MUZIPFZTHDFQIX-USXIJHARSA-N 388.493 1.351 0 50 GDAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@]2(C1)C(=O)N(CCO)c1ccccc12 2100534666 SMQDZRISVDGHPW-HXUWFJFHSA-N 377.404 1.081 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCCc2ccccc2)C[C@H]1NC(=O)CO 2100547560 KQGQNIZKIGQMND-IPMKNSEASA-N 376.497 1.808 0 50 GDAA COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NC(C)C)c(=O)[nH]c2c1 2952081 BRZIDFJERDUKAE-UHFFFAOYSA-N 375.425 1.561 0 50 GDAA CC1(C)[C@H](CNC(=O)c2cnc3c(F)cccc3c2)C[C@H](C(=O)O)S1(=O)=O 2325874949 BXPBVWFKICJAHZ-GXTWGEPZSA-N 394.424 1.770 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC[C@H]1O 2356138462 CDYPJRPREFQJHA-DNVCBOLYSA-N 381.425 1.790 0 50 GDAA Cn1nnnc1SCCNC(=O)CCc1nc(-c2ccccc2F)no1 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1.787 0 50 GDAA COCCN1CC[C@H](CNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1 670460761 XXMZVUSLFVAOLB-LLVKDONJSA-N 395.809 1.605 0 50 GDAA CC(C)N1C[C@@H](NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)CC1=O 952987289 VQZCRWUOCKWSCT-KRWDZBQOSA-N 399.491 1.707 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)NCCNC(=O)c2ccccc2Cl)c1C 952869830 MJFGGEARQFBJIU-UHFFFAOYSA-N 376.844 1.902 0 50 GDAA COCC(=O)Nc1ccc(OC)cc1NC(=O)c1ccc(-c2nnn(C)n2)cc1 952972685 WMPRQASBIJKYHE-UHFFFAOYSA-N 396.407 1.723 0 50 GDAA O=C(O)c1ccnc(-c2ccnc(N3CCCO[C@H](CN4CCCC4)C3)n2)c1 72454397 WJHFAUIRERRIBQ-MRXNPFEDSA-N 383.452 1.928 0 50 GDAA Cc1csc(SCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)n1 1565512895 AKBOYIWNTRFTGK-GJZGRUSLSA-N 378.523 1.690 0 50 GDAA O=C(Cn1nc2ccccc2n1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565529087 RMHUDGWMHSFHLZ-AEFFLSMTSA-N 376.464 1.949 0 50 GDAA COc1ccsc1S(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O 268479247 IXTHSXINKSBVCJ-NSHDSACASA-N 384.483 1.273 0 50 GDAA Cc1cn2nc(N3CC[C@H](N(C)Cc4cc(O)nc(N(C)C)n4)C3)sc2n1 275687715 MIHISGCROSVDNA-ZDUSSCGKSA-N 388.501 1.372 0 50 GDAA COC[C@H](C)N(Cc1cc(F)ccc1F)C(=O)c1c[nH]nc1-n1cnnn1 1506401067 BRYXGWZPDHXOOG-JTQLQIEISA-N 377.355 1.341 0 50 GDAA COc1ccc(C(=O)[C@H](NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)cc1 1776111530 CWNNRKVJDFZUKH-KRWDZBQOSA-N 398.419 1.547 0 50 GDAA O=C1CN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CCN1 12320504 HIXKHYDPLWRWAO-UHFFFAOYSA-N 394.475 1.697 0 50 GDAA Cn1cc(-n2nc(-c3ccc(C(N)=O)cc3)nc2[C@H]2CCn3ncnc3C2)cn1 1857670031 LYDGLRQXFDXWFQ-AWEZNQCLSA-N 389.423 1.088 0 50 GDAA O=S(=O)(N1CCCC1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857670838 FPASTHCUSJNPOI-GOSISDBHSA-N 378.498 1.680 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H]1CCCCn3nnnc31)CC2 1857697689 IJJMGWMVMPALNS-KRWDZBQOSA-N 391.479 1.969 0 50 GDAA CCN1CCC(OC)(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 1857710658 JBBALALLDNCODV-UHFFFAOYSA-N 386.496 1.913 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cnc(C)nc3)CC(=O)N2[C@H]1c1ccccc1 1857727082 KSESPQVPZVSSMJ-BJLQDIEVSA-N 380.448 1.732 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(-c4cccnc4)nc3C)C[C@H]2O)n[nH]1 1857738376 FJXYFQBLFOVRSO-CRAIPNDOSA-N 378.436 1.554 0 50 GDAA Cc1nsnc1C(=O)N1CCc2nc(C(=O)N3CCC(F)CC3)cn2CC1 1875243784 XDUHVUWTUUFSRN-UHFFFAOYSA-N 392.460 1.316 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCC(=O)OC)CC[C@@H]1NC(=O)c1ccno1 1875245714 NHEISWQCQBJACH-YDHLFZDLSA-N 381.429 1.048 0 50 GDAA COc1ccc(C2(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)CCCC2)cc1OC 1875247526 NXJQXWPHHREPMG-ZBFHGGJFSA-N 388.464 1.489 0 50 GDAA CCN(C(=O)N1CCC[C@@H](n2ncc(N3CCC(O)CC3)cc2=O)C1)C(C)C 328603174 FHSDWQBUKCERGD-MRXNPFEDSA-N 391.516 1.692 0 50 GDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 245637150 ACIQLKXDQBKOOY-RVSPLBMKSA-N 379.888 1.701 0 50 GDAA COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3ccccc3)C2)cc(OC)c1 363617041 KBVIJRVOQVKGQG-GOSISDBHSA-N 397.475 1.824 0 50 GDAA COc1cc2nc(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)nc(N)c2cc1OC 1704325853 UTEKLZGQHDDOCO-YLJYHZDGSA-N 387.484 1.512 0 50 GDAA O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)C1 907748706 UENCMKPLUSFYJL-OKZBNKHCSA-N 394.493 1.111 0 50 GDAA CCN(C(=O)CNC(=O)N1CC2(C1)SCC[C@@H]2C(=O)OC)c1ccccc1 1875301735 RKOBZQSLBHGHTC-OAHLLOKOSA-N 391.493 1.730 0 50 GDAA Cc1c(Cl)cc(S(=O)(=O)N2CCN([C@@H]3CCOC3)C(=O)C2)cc1Cl 1875354756 NXXSFQRNTGXVBP-LLVKDONJSA-N 393.292 1.924 0 50 GDAA COc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3ccn(C)n3)C2)ccc1F 1875307906 VZZUNVPCZOZIAX-ZFWWWQNUSA-N 388.443 1.825 0 50 GDAA COCC(C)(C)CC(=O)N1CCC(O)(CNC(=O)c2cc(C)sn2)CC1 1775989970 BBRIMUAUBLKBRO-UHFFFAOYSA-N 383.514 1.598 0 50 GDAA O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCOCC1 1060838 LUGQJUFYILUVCI-UHFFFAOYSA-N 399.472 1.869 0 50 GDAA Cn1nc(C(=O)NO[C@@H](Cc2ccccc2)C(=O)O)c2c1CCC(F)(F)C2 2325813532 VPOMXOXFDHTBKT-AWEZNQCLSA-N 379.363 1.901 0 50 GDAA CC(=O)c1csc(NC(=O)[C@@H](C)NC(=O)c2cc(=O)c3ccccc3n2C)n1 2325853939 IRFZZFXQIOTORQ-SNVBAGLBSA-N 398.444 1.955 0 50 GDAA Cn1nc(CCNC(=O)C(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)c2ccccc21 2325859046 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382.482 1.643 0 50 GDAA O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc2C1 1003553 MRSGHFJSJMGAOZ-UHFFFAOYSA-N 386.473 1.906 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC 1055890 VVXFVQXWXDVKFB-UHFFFAOYSA-N 396.490 1.912 0 50 GDAA CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)o1 133150201 VKNATGAWICNRQP-QGZVFWFLSA-N 388.445 1.945 0 50 GDAA CCN1CCN(C2(C(=O)NCC[C@H]3CCCN3C)Cc3ccccc3C2)CC1 20449610 ZPNLWXPBRONZSK-OAQYLSRUSA-N 384.568 1.762 0 50 GDAA O=C(CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O)N1CCCC1 67954845 OVTRGSLCJFYXAT-OAQYLSRUSA-N 379.545 1.912 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H]2CCNC2)CC1 67894289 YAJIYEPDUAJRRL-SFHVURJKSA-N 395.507 1.643 0 50 GDAA O=C(c1ccc(NC[C@@H]2CCCCO2)nc1)N1CCC(N2CCOCC2)CC1 67867156 RPWKEDGDOAUBHL-IBGZPJMESA-N 388.512 1.999 0 50 GDAA COc1ccc2c(c1OC)CC[C@@H]2NCCN1CCN(c2ncccn2)CC1 252509250 YHZBJCSCUAPHQO-SFHVURJKSA-N 383.496 1.893 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nc(C)cnc3C)CC2)C1 71746606 GUXMRRMMIDDMQV-KRWDZBQOSA-N 375.517 1.537 0 50 GDAA 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O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)CCCn1cncn1 95519000 XORWNVXVPMCDFA-SFHVURJKSA-N 393.451 1.874 0 50 GDAA Nc1nc2c(c(C(=O)N3CCC[C@H](CNC(=O)c4ccco4)C3)n1)CCCC2 95505485 WYPHIHJFJUFLFR-CYBMUJFWSA-N 383.452 1.813 0 50 GDAA COCc1ncc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)O)C2)cn1 95529828 PUMVMQPLRNVLTN-OXQOHEQNSA-N 385.420 1.694 0 50 GDAA Cc1nc(-c2ncc(C(=O)NCCSc3nccn3C)c(O)n2)cs1 91391320 WPUHYOGLJIEOHG-UHFFFAOYSA-N 376.467 1.870 0 50 GDAA C[C@@H](C(N)=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 95519444 JDJOSJCMWBKYSI-ZDUSSCGKSA-N 396.919 1.348 0 50 GDAA Cc1cccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1 91943193 CSQXZFFDZLPVDF-UXHICEINSA-N 387.524 1.867 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1 96166679 NUNLJQNZWQLBPC-UHFFFAOYSA-N 392.463 1.633 0 50 GDAA NC(=O)[C@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245256862 UIRAGAILGNRDEH-CKEIUWERSA-N 398.463 1.385 0 50 GDAA O=C(CN1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1)N1CCCC1 299252420 MWBVSFBSSQTZHI-NRFANRHFSA-N 398.551 1.808 0 50 GDAA CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OCC(=O)O 299742279 AYJNNNBZGZAGRN-YUTCNCBUSA-N 376.409 1.288 0 50 GDAA COCc1nnc(-c2cccc(C(=O)N3CCC4(CCN(C)C4=O)CC3)c2)o1 1326525945 KUNWMPJZQAWPPC-UHFFFAOYSA-N 384.436 1.968 0 50 GDAA Cc1ccccc1OCC(=O)NC[C@@H]1CCCN(CCN2CCOCC2)C1 952983596 VTLLYPCAMZWTSQ-IBGZPJMESA-N 375.513 1.534 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1cccc(CN2CCCC2)c1 952980790 RYKMHTHPLATQFY-UHFFFAOYSA-N 380.496 1.833 0 50 GDAA O=C(NCC(=O)N1CCCc2ccccc21)[C@H]1CC12CCS(=O)(=O)CC2 274910030 UCTFGVKOLYGCSW-OAHLLOKOSA-N 376.478 1.297 0 50 GDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(Cl)c3c(c2)OCCO3)cn1 275582441 PEBXJUKATNHAFC-PBHICJAKSA-N 376.844 1.954 0 50 GDAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1NS(C)(=O)=O 278236156 YRPKFQDTTANDML-HCKVZZMMSA-N 379.438 1.634 0 50 GDAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NC[C@H](O)CO 1506429115 VLILJTYSYORPSW-ZETCQYMHSA-N 385.389 1.097 0 50 GDAA CC(=O)Nc1nonc1NC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 1529190684 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Cc1c(F)cccc1C(=O)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 248134617 YYZNJBWSRVIGKT-XOBRGWDASA-N 376.428 1.772 0 50 GDAA Cn1ncc(C2CC2)c1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 850978491 TWRVHAZDMPQHDR-UHFFFAOYSA-N 388.449 1.691 0 50 GDAA O=C(c1nc[nH]c2nccc1-2)N1[C@H]2CC[C@H]1CC(N1CCCCS1(=O)=O)C2 1875274534 GXLGVPAOYXKXQA-STQMWFEESA-N 389.481 1.471 0 50 GDAA Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1CC[S@@](=O)CC[C@H]1C 1875264008 ZJQJTDRJLQRJLN-QWVSSGJLSA-N 388.493 1.855 0 50 GDAA NC[C@@H]1CCCc2ccc(C(=O)N3CCC[C@@H](NC(=O)[C@H]4CCCNC4)C3)cc21 1875267315 RFTKGPUBCCIMIG-SLFFLAALSA-N 398.551 1.786 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(Nc2cnn(Cc3ccccn3)c2)ncn1 1875398141 CYGBCHIXQFGCHJ-QZTJIDSGSA-N 394.483 1.361 0 50 GDAA Cc1ccc2cc(C(=O)N3CCCN(Cc4nc(=O)n(C)[nH]4)CC3)ccc2n1 1875327212 PENNNPGVDOMMDK-UHFFFAOYSA-N 380.452 1.313 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCCC3CCOCC3)C2)c1C 1875399634 GDCHXHFNWWQLFL-QGZVFWFLSA-N 375.517 1.780 0 50 GDAA CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)Cc1ccc(C(F)F)cc1 1775960955 DOAIADWLINHURM-ZNMIVQPWSA-N 388.436 1.774 0 50 GDAA CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC2(CCSCC2)C1 2325785166 HBCIZNYWHIARLN-BBRMVZONSA-N 377.514 1.761 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CC[C@@H]5CCCC[C@@H]54)cc3C2=O)C(=O)N1 2325887770 ZKJOWRMGZMEEJD-KKXDTOCCSA-N 395.459 1.852 0 50 GDAA CCC1(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CCC1 2325897756 HFBSJSBSUXVXIU-OAHLLOKOSA-N 397.431 1.398 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cccc(C)c3C)nn2)CN1 67818890 UIHITALUBWHEQZ-AEFFLSMTSA-N 384.484 1.206 0 50 GDAA CCn1cncc1Cn1c(=O)n(CCc2ccccn2)c2ncc(C(=O)O)cc21 65470482 MJWHOWOHTRRPKS-UHFFFAOYSA-N 392.419 1.799 0 50 GDAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)s1 20540288 KASALFWDIQJAKF-QGZVFWFLSA-N 393.553 1.676 0 50 GDAA Cc1nc2cncc(N3CCN(C(=O)[C@@H](N)c4c(F)cccc4F)CC3)n2n1 423917838 OROZGYGKOYZRQF-KRWDZBQOSA-N 387.394 1.060 0 50 GDAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1 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Cn1cc(C(=O)NC2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)cn1 170626127 RIOXPSCRGYALPJ-SFHVURJKSA-N 385.443 1.559 0 50 GDAA CCN1CCCN(C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1=O 170605289 TVXDLROBGACBPL-GFCCVEGCSA-N 384.402 1.990 0 50 GDAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc2nnn(C)c2c1 188145106 FYQWHBJNOVKXMY-NRFANRHFSA-N 379.464 1.677 0 50 GDAA CC(C)c1nc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)no1 1529158562 FGKCCIRPRYHTTN-CABCVRRESA-N 378.816 1.719 0 50 GDAA Nc1cccc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)CCCO4)CC2)n1 1529094004 FUZUWDKSDSYIQM-UHFFFAOYSA-N 380.448 1.977 0 50 GDAA CO[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 1704302079 AWZFOXFVNBKODI-APWZRJJASA-N 375.444 1.970 0 50 GDAA O=C(c1ccc(N2CCC([C@H](O)c3ccccn3)CC2)nc1)N1CCOCC1 1704349937 LULDXZILCHKPIE-FQEVSTJZSA-N 382.464 1.899 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccccc1C(F)(F)F 1704338207 OCUAKAJWGGIHTM-GXFFZTMASA-N 380.388 1.342 0 50 GDAA O=C(CCn1cncn1)N1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 11973106 ADPSTHYHYZRABY-UHFFFAOYSA-N 395.385 1.948 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccncc1C 12304962 MVNBYGIPCGKSSN-GOSISDBHSA-N 382.464 1.406 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccc(C)o2)c1 12314386 PZVJFLMZRMRKEJ-LJQANCHMSA-N 385.464 1.946 0 50 GDAA COC(=O)C1CCN(C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 12702724 BQBDAIIJTCGWGN-HXUWFJFHSA-N 378.444 1.564 0 50 GDAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCN1CCNCC1 19795092 VHLDIOLILXYDMK-UJKMTWAASA-N 387.483 1.784 0 50 GDAA O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1Cc1ccc(F)cc1 19877388 ZOCJLQBUZDARGC-LJQANCHMSA-N 383.423 1.981 0 50 GDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2ccccc21 169772694 ODBLAXGLLKBLOJ-QGZVFWFLSA-N 391.431 1.683 0 50 GDAA COc1nc2c(cc1CN1CCN(C)C3(CCOCC3)C1)C(=O)N(C(C)C)C2 1857681874 CVQZCPDLGPMAEF-UHFFFAOYSA-N 388.512 1.751 0 50 GDAA COc1ccc([C@@H]2[C@H](C(=O)NCc3ccncc3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857694123 BNCAGLQQCJRULM-YFVAEKQCSA-N 394.475 1.610 0 50 GDAA CNC(=O)c1ccc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)nn1 1857700659 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CC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)c1cnn(CC3CC3)c1)CCO2 2325785095 BIHKAFAAXDRQTO-UHFFFAOYSA-N 394.497 1.313 0 50 GDAA O=C(NC[C@@H]1CCNC2(CC2)C1)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325789668 FGYBETJINHYZEO-HUUCEWRRSA-N 389.471 1.886 0 50 GDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CC[C@@H]3CC[C@@]31c1cccnc1)NS2(=O)=O 2325805091 OULUEYFGMBNNGQ-DCPHZVHLSA-N 398.488 1.958 0 50 GDAA Cc1ccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)NCCN(C)C)CC[C@H]2O)cc1 2356150305 WIMUQFAXKDDHQP-IPMKNSEASA-N 375.513 1.251 0 50 GDAA COCCn1c(CN2CCOCC2)cnc1S(=O)(=O)C1CCCCCC1 20777852 XFVUQVHLUXPPCU-UHFFFAOYSA-N 385.530 1.858 0 50 GDAA CN1CCC[C@@]2(CCCN(C(=O)c3cc(CN4CCC(O)CC4)on3)C2)C1 67819048 KXOMHENUDUGRCO-HXUWFJFHSA-N 376.501 1.579 0 50 GDAA CN(Cc1cc(-c2cccnc2)no1)C(=O)C[C@H]1C(=O)NCCN1C1CCCC1 20535797 STXCOPRVSRCDHL-IBGZPJMESA-N 397.479 1.828 0 50 GDAA O=C(c1nc2ccccn2c1CNCCc1ccc(O)cc1)N1CCOCC1 20539327 KLMAJACJQMDKNK-UHFFFAOYSA-N 380.448 1.845 0 50 GDAA C[C@@H]1CCc2n[nH]c(C(=O)N3CCCn4nc(C(=O)NC5CC5)cc4C3)c2C1 67473379 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395.463 1.032 0 50 GDAA CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1 36360482 BDZBAMVAIXLVLK-CYBMUJFWSA-N 388.449 1.324 0 50 GDAA Cc1cccc(OCC(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 77458145 WLERLBDZHNABFK-MSOLQXFVSA-N 394.537 1.648 0 50 GDAA COc1ccc(CNCC(N)=O)cc1OC[C@H](O)CN1CCCCCCC1 15065579 KIHZLZHRBWUJHL-QGZVFWFLSA-N 379.501 1.276 0 50 GDAA CCN(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C)CC1)S(C)(=O)=O 283045356 FDGYGRRSQYFLRH-UHFFFAOYSA-N 398.920 1.781 0 50 GDAA CCCc1nc(C(=O)NC[C@H]2CN(C3CC3)CCO2)nn1-c1ccccc1F 173764082 OAKDTLDPZXWJCJ-HNNXBMFYSA-N 387.459 1.952 0 50 GDAA O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cnc(-c2ccncc2)s1 177514017 YTVRQXUNFBFGTC-UHFFFAOYSA-N 392.506 1.892 0 50 GDAA Cc1ccccc1C1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCC1 291609557 YASFDMBVDAYIEL-UHFFFAOYSA-N 382.468 1.164 0 50 GDAA CO[C@@H]1CCCOC12CCN(C(=O)Cn1ncc(N3CCCC3)cc1=O)CC2 95513247 JCSSZJNIIJUFDP-QGZVFWFLSA-N 390.484 1.030 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3onc4c3CCCC4)C2)CN1CCCO 426424199 FKQZVZPBDYDCDJ-HXUWFJFHSA-N 375.469 1.781 0 50 GDAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(CCCn2cnnn2)C1 95509639 NFHOWEXRARSIKF-INIZCTEOSA-N 380.456 1.600 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1 239433768 YKVIGKIVSAKHGE-DOTOQJQBSA-N 396.509 1.781 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95507527 CDNVGEBLSYWTON-AWEZNQCLSA-N 384.465 1.351 0 50 GDAA C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239235368 VVUPGVHYWPWOGN-DNYKTSCQSA-N 397.402 1.993 0 50 GDAA CNCC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 95513357 ZDTKFQVLKXDOAY-HXUWFJFHSA-N 386.540 1.615 0 50 GDAA Cc1nn(CCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)c(C)c1C 91807884 ULNWZCFMFRRJCS-UHFFFAOYSA-N 387.488 1.209 0 50 GDAA O=C(NCc1nc(-c2ccccn2)no1)[C@H](c1cccnc1)N1CCOCC1 670457438 TXDRLBVUTMYSDZ-KRWDZBQOSA-N 380.408 1.216 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCCN3CCC[C@H](CO)C3)c2)o1 670450291 JKEXVPKASPUOLE-INIZCTEOSA-N 393.509 1.941 0 50 GDAA 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Cc1c(C(=O)NC[C@H](C)CN2CCOCC2)nnn1-c1cccc2cccnc12 150717347 VRTBHXXZZIADSI-HNNXBMFYSA-N 394.479 1.822 0 50 GDAA CNc1nc(C)cc(N2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 71755416 YPTRMQLVYWKGDE-INIZCTEOSA-N 390.532 1.270 0 50 GDAA Cc1ncc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)[nH]1 1073403780 WQLJOHBRDQFGFX-VXKWHMMOSA-N 383.540 1.514 0 50 GDAA O=C(N[C@H]1CCNC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 127198929 SUUPOFMVSYXPCM-HNNXBMFYSA-N 391.518 1.587 0 50 GDAA NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1 375617135 LILQQBOFODEKIF-OAHLLOKOSA-N 395.481 1.561 0 50 GDAA CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 448183142 UVSBUUKHSPECTJ-OAHLLOKOSA-N 388.461 1.688 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC[C@]2(CCNC2)C1 377582561 FZVAMPPZEPNMBX-LJQANCHMSA-N 377.510 1.591 0 50 GDAA CCOC(=O)CCN(Cc1ccc(OC)c(OC)c1)C(=O)CC(=O)OCC 222374849 IGWHGQHPMXJIPL-UHFFFAOYSA-N 381.425 1.939 0 50 GDAA Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)nnn1-c1ccc2c(c1)OCCO2 263389643 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CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1c(CO)nc3ccccc31)C2 97635008 KLNUXQNXIILGHD-JKSUJKDBSA-N 384.480 1.778 0 50 GDAA CSCC[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252539818 OLISGIJEKAUUEN-JKSUJKDBSA-N 393.509 1.364 0 50 GDAA COCc1noc(CNC(=O)N2CCC(C(=O)NCc3ccco3)CC2)n1 534660586 RORMTROXPSYUGQ-UHFFFAOYSA-N 377.401 1.047 0 50 GDAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)NCCS(=O)(=O)N(C)C)cc1 534576697 NEALUXOZHNDXLF-QGZVFWFLSA-N 382.530 1.486 0 50 GDAA COC(=O)c1cn(CCn2c([C@H](C)O)nc3ccccc32)cc2c(=O)[nH]nc1-2 263588748 XXXYQVNLXDCSFE-NSHDSACASA-N 381.392 1.566 0 50 GDAA O=C(COc1ccccc1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670471234 FRQFTYFCSFJDEJ-PHBIXPCASA-N 377.488 1.749 0 50 GDAA COc1cccc([C@H](C)NC(=O)N2CCC(N3CCN(CCO)CC3)CC2)c1 670455076 YZNXSVOIPCYXOR-KRWDZBQOSA-N 390.528 1.540 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 1565508242 LHXQFWNLGPWQLJ-SJORKVTESA-N 379.464 1.878 0 50 GDAA C[C@H](NC(=O)NC1CCN(C2CCOCC2)CC1)[C@H](O)c1ccc(O)cc1 1565528564 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O=C(O)Cc1cn(C[C@H]2CCCCN(C(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)C2)nn1 1875356021 RERHSRDYKVBOTQ-HDEZJCGLSA-N 376.457 1.349 0 50 GDAA C[C@H](C(=O)Nc1c[nH]c2c(OC(F)(F)F)cccc2c1=O)S(C)(=O)=O 1875347901 VTHPIPUZAZZMEM-SSDOTTSWSA-N 378.328 1.798 0 50 GDAA C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875315836 JPWALSRFFDSNIX-SNVBAGLBSA-N 378.314 1.904 0 50 GDAA Cc1nc(C(=O)NC2(C)CCC(O)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404088 ULOSJUVLNBIZDK-LSWWBPAMSA-N 375.517 1.657 0 50 GDAA CC[C@@H]1COC(C)(C)CN1c1ncnc2c1ncn2CC1(O)CCOCC1 888097878 RTBSTGCXPZKWSX-CQSZACIVSA-N 375.473 1.762 0 50 GDAA COC(=O)c1sc(I)cc1NC(=O)NC1(CO)CC1 888096615 CTLGJLCEYWLRJM-UHFFFAOYSA-N 396.206 1.786 0 50 GDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2cc(F)ccc2F)CC1 888103368 FEJKWBLBFSQQAI-OALUTQOASA-N 392.450 1.944 0 50 GDAA CSC[C@H](C)C(=O)N1CCCCC[C@H](NC(=O)CNC(=O)C2CCC2)C1 1775991300 JHWUOGNHRHVLQZ-HOCLYGCPSA-N 383.558 1.789 0 50 GDAA O=C(N[C@@H]1CC[C@H]1NC(=O)c1coc2cc(F)cc(F)c12)c1ncc[nH]c1=O 2325879516 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Cn1nccc1[C@@H]1[C@H](C(=O)Nc2n[nH]c3cc(F)ccc23)CCC(=O)N1C1CC1 328978136 CETLHASQMGMUIN-KDOFPFPSSA-N 396.426 2.516 0 50 GDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CC[C@H](O)[C@@H](O)C1 72143718 RCSXJCFKOXWUTJ-ROUUACIJSA-N 379.416 1.018 0 50 GDAA CS(=O)(=O)CC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 237333351 NDAOUZWUOORBGR-FZMZJTMJSA-N 395.308 1.735 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCC[C@@H](C(N)=O)C3)c12 72439723 MWSPELVZHIAHIH-OAHLLOKOSA-N 394.483 1.343 0 50 GDAA Nc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cs1 71748040 SWLYJIAITRVCHJ-CQSZACIVSA-N 391.541 1.455 0 50 GDAA S=c1[nH]nc(Cn2nnc(-c3ccccc3)n2)n1CCCN1CCOCC1 20028563 KTBMDAZXKBMNAF-UHFFFAOYSA-N 386.485 1.365 0 50 GDAA Cc1nc(CN2CCN(C(=O)[C@@H](c3ccccc3)n3cnnn3)CC2)cs1 222676223 GJEALSYDRKLXKU-QGZVFWFLSA-N 383.481 1.372 0 50 GDAA COc1ccc(CNC(=O)C2CCN(C(=O)NCc3nccn3C)CC2)cc1 426615212 VAMRTDDJJMUOKL-UHFFFAOYSA-N 385.468 1.667 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccccc1-n1cncn1)CC2 92045696 DQQLMXBFRRSZMI-UHFFFAOYSA-N 377.452 1.610 0 50 GDAA O=C(NCc1nnn[nH]1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 95506522 GFENWGIRUDFQJR-UHFFFAOYSA-N 393.451 1.568 0 50 GDAA CC(C)N1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cnnn4)cc3O)C2)C1=O 92062219 ZTFCXPSLYSYDJH-IBGZPJMESA-N 384.440 1.231 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2CCCO)CC1 91997732 DIPVUSKVOPGAMQ-CTNGQTDRSA-N 388.556 1.603 0 50 GDAA CCN1CC2(CCN(C(=O)C[C@H](N)c3ccc(OC)c(OC)c3)CC2)CC1=O 95499563 NAQLPVKFZNAATC-INIZCTEOSA-N 389.496 1.955 0 50 GDAA NC(=O)C1(C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)CC1 91780925 XNSZDZUJFKYQKL-UHFFFAOYSA-N 384.480 1.121 0 50 GDAA COCCN(CCOC)C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 96141066 AOGPGOPITCILAX-UHFFFAOYSA-N 378.473 1.201 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)CCc3n[nH]c(C)c3C)C2)CCC1=O 91535298 NGJSQCQIXZACFX-HXUWFJFHSA-N 376.501 1.837 0 50 GDAA CCc1nc(CN(C)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)no1 534638467 BNIAOTYFSYSPQU-CQSZACIVSA-N 377.445 1.748 0 50 GDAA Cc1cc(Cl)ccc1-n1nc(CC(N)=O)nc1C[C@H](C)N1CCOCC1 826841967 FPDQULLZENAKEP-ZDUSSCGKSA-N 377.876 1.520 0 50 GDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ncccc2Cl)CC1 952987514 OEJWEMGXCIMXDV-UHFFFAOYSA-N 399.842 1.438 0 50 GDAA CCc1nccn1CCC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 952964147 BOYRPOJVJXNZKW-BANKROOTSA-N 383.500 1.995 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cnc(-c3cccnc3)nc2)C[C@@H]1NC(=O)N(C)C 1565513927 XVLCPQBLBQYUIX-SJORKVTESA-N 382.468 1.906 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)c1ccco1 408521057 GPIFWYIQCGLNBK-QBXRVLTGSA-N 388.445 1.922 0 50 GDAA O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@](O)(c2nc(C3CC3)no2)C1 275289169 LKBBLQTUUBOIFU-MRXNPFEDSA-N 375.410 1.106 0 50 GDAA CC(C)c1noc(C2CCN(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)CC2)n1 1506404061 VBFQUAWDXOANCP-ZDUSSCGKSA-N 386.474 1.414 0 50 GDAA O=C(O)c1ccc(N2C[C@H]3CN(Cc4ccccc4Cl)C[C@]3(CO)C2)nn1 1772814721 PKGAJNDVCMEKJE-AUUYWEPGSA-N 388.855 1.759 0 50 GDAA CCOc1cc(CN2CCOC[C@H](C(=O)O)C2)ccc1OCCn1ccnc1 1772810674 NUUFEIGNGVWGLE-QGZVFWFLSA-N 389.452 1.894 0 50 GDAA CCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1Cl)C2 1772705123 KPPNOELQACDSKU-OLZOCXBDSA-N 378.864 1.253 0 50 GDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CN(Cc4ccccc4OCCO)CC[C@@H]32)n1 1775977114 GZYOUEOQSPFIKE-PMACEKPBSA-N 398.507 1.604 0 50 GDAA O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC(c2ccnc(O)c2)CC1 1772805314 KGDUZGCXYLDMSO-GOSISDBHSA-N 378.436 1.964 0 50 GDAA CSCCCN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 12149609 GSHAHLRDLMDLRY-AWEZNQCLSA-N 375.564 1.136 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccccn1 12308458 HAOYXBONSHMNOG-GOSISDBHSA-N 382.464 1.487 0 50 GDAA CCOC(=O)CN(C)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 12317403 OZRZVJSJMVHIME-UHFFFAOYSA-N 393.513 1.168 0 50 GDAA COCCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)c(C)n23)n(C)c1=O 13541173 UWORKMDGFPQPDR-UHFFFAOYSA-N 381.436 1.461 0 50 GDAA C[C@H]1CCCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)C1 13667878 ALXHJOIWNDZCDG-UONOGXRCSA-N 382.482 1.871 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCOc2ccc(Cl)cc2C1 15068653 AINGBUYDLHEFOO-UHFFFAOYSA-N 378.864 1.588 0 50 GDAA COCCNC(=O)c1c(CCc2ccccc2)n(CCN(C)C)c(C)cc1=O 15070924 RHUYVFQGQAIEHP-UHFFFAOYSA-N 385.508 1.880 0 50 GDAA O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(Cc2cccs2)CC1 15071180 URIKMFUYYSFCBI-SFHVURJKSA-N 390.553 1.525 0 50 GDAA COCCn1nc(C(=O)NC2CC3(CC(CO)C3)C2)c2c1[C@H](C)O[C@H](C)C2 1857529245 AYMYKIKFKSKORV-CGPGXKHDSA-N 377.485 1.833 0 50 GDAA O=C(CCO)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C2 1857685381 UDOWSRSMRLGQAU-UOIKSKOESA-N 384.398 1.984 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCc3nc(C)c4c(n3)CCC4)CC2=O)s1 1857711423 YVAMRWQEYZTUFP-GFCCVEGCSA-N 386.481 1.145 0 50 GDAA O=C(Cc1n[nH]c2ccccc12)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857716581 BCKHOCBIZSLQDA-JCXROGDPSA-N 377.444 1.701 0 50 GDAA CC(C)S(=O)(=O)N1C[C@H]2[C@@H](NC(=O)CCc3cc(O)no3)CCC[C@H]2C1 1857731927 UNGPLEZFVDZRDH-CFVMTHIKSA-N 385.486 1.268 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)s1 1857740288 LZHBBJSXQZOPQT-LLVKDONJSA-N 384.465 1.689 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)Cc3cc(F)ccc3Cl)CC[C@]23OCCCN13 1857741464 UIYJSPVBWFTPAH-ZBFHGGJFSA-N 388.848 1.732 0 50 GDAA O=C(c1ccc2nn[nH]c2c1)N1CCc2nc(C(=O)N3CCCC3)cn2CC1 1875246054 HCNUJGLCZSNTJP-UHFFFAOYSA-N 379.424 1.089 0 50 GDAA COC(=O)c1ccccc1NC(=O)CSc1nc(C)c(CCO)c(=O)[nH]1 11905705 IAQGBZDIMFPRSS-UHFFFAOYSA-N 377.422 1.131 0 50 GDAA CN(CC(=O)O)C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 253416011 KWWDEWOOZPIEGR-UHFFFAOYSA-N 378.853 1.790 0 50 GDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530315 ALVUMSOFCVPNTF-PVXVYBLXSA-N 392.492 1.444 0 50 GDAA biogenic Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H]1CCN(CC(C)(C)O)C1 913427410 ILIQPNAKQLPSLJ-ZDUSSCGKSA-N 377.514 1.356 0 50 GDAA Cc1cc(C)nc(C2CN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)n1 913604181 SQXXBDUAVFGRBZ-CRAIPNDOSA-N 395.381 1.830 0 50 GDAA O=C(NC[C@@H]1CCNCCC1(F)F)c1cc(C(=O)O)n(-c2ccccc2)n1 1875298714 LEOBIPZSDXJROW-LBPRGKRZSA-N 378.379 1.935 0 50 GDAA CCc1nn(C)cc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875396813 CVKBGDOZUGIZNV-MRXNPFEDSA-N 385.516 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398.569 1.859 0 50 GDAA Cc1cnc(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cn1 15064385 PQKXRPXJPNWVOB-WOJBJXKFSA-N 399.470 1.322 0 50 GDAA COC(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71714930 FMZHSJQJRXFNQZ-GOSISDBHSA-N 388.512 1.437 0 50 GDAA O=C(c1ccco1)N1CCN(C/C=C/c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72429152 CGHOKOBPJYQZPE-SDNFCERYSA-N 386.473 1.916 0 50 GDAA C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 457438507 RMHFGLGCPJQOPK-AWEZNQCLSA-N 384.436 1.312 0 50 GDAA O=C(N[C@@H]1CCc2ccccc21)N1CCCN(S(=O)(=O)N2CCCC2)CC1 426471733 XCTHHUJVKHPLFM-GOSISDBHSA-N 392.525 1.732 0 50 GDAA COCC(=O)N1CCCN(C(=O)Nc2cc(-n3cnnc3)ccc2F)CC1 426690271 JORDWYYMUPMXAY-UHFFFAOYSA-N 376.392 1.119 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)NCCc1nc(-c2ccccc2)no1 91817927 ONDQFSRRNSJJEM-UHFFFAOYSA-N 375.388 1.805 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1c1cccnc1 95527766 GIVKOUMPHQBKEY-KRWDZBQOSA-N 385.472 1.044 0 50 GDAA O=C(O)[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 291928080 VZGJNPBKIVNOLV-OCCSQVGLSA-N 393.412 1.039 0 50 GDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cnc(C)s2)CC1 96142035 MXKBVJURPVUERK-UHFFFAOYSA-N 386.485 1.723 0 50 GDAA Cc1ncc(-c2nc(-c3ccc(C(N)=O)cc3)nn2CC(F)(F)F)c(=O)[nH]1 96138721 UZCYCDCSZABBRH-UHFFFAOYSA-N 378.314 1.665 0 50 GDAA CN1CCN(c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)C1=O 95529829 UWRFMLOOCWVLFU-UHFFFAOYSA-N 387.484 1.887 0 50 GDAA Cn1cnc(NC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)n1 1940197303 GSMQPZDNAYKXEM-GFCCVEGCSA-N 383.437 1.249 0 50 GDAA Cc1n[nH]c(C)c1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55183171 CUPNUJKELVXKLZ-SFHVURJKSA-N 387.459 1.215 0 50 GDAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)CCS(C)(=O)=O)CC1 825512180 IRBLUTSTWWHRCR-UHFFFAOYSA-N 388.917 1.606 0 50 GDAA Cc1ncn(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C 827748262 ICLSIRSPKGVBJP-KRWDZBQOSA-N 394.472 1.609 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)cs1 670435289 UNITZTBVGAFDHF-VIFPVBQESA-N 393.450 1.592 0 50 GDAA O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccnc(O[C@@H]2CCOC2)c1 163148941 ZLNHQXHRRNJOOY-QGZVFWFLSA-N 379.420 1.824 0 50 GDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)CCn2nnnc2C)cc1 1565513039 NVNPKAHKQHISOX-MSOLQXFVSA-N 384.484 1.503 0 50 GDAA Cc1nc(N2CCOCC2)ccc1NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 269314670 JMIHXKJLEMMFCZ-OAHLLOKOSA-N 396.447 1.979 0 50 GDAA CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC[C@H](C)C1 270461617 DKFHZLWAZDIVOJ-LBPRGKRZSA-N 376.500 1.877 0 50 GDAA C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC2(CC2)c2ccccc21 185302362 QISSHEOQDJAPBL-OAHLLOKOSA-N 399.516 1.933 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cnn1-c1ccccc1F 186696394 JPWMGJJNHYDCSS-OAHLLOKOSA-N 385.443 1.356 0 50 GDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1 193327400 YZODECXKWJDXFP-SFHVURJKSA-N 390.447 1.842 0 50 GDAA C[C@H](NC(=O)Cc1nc2ncccn2n1)c1cc(F)ccc1N1CCC(O)CC1 755455022 CSMNVEUSKXKTON-ZDUSSCGKSA-N 398.442 1.644 0 50 GDAA Cc1nn(C)cc1C(=O)N1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 1529174355 UNJZKFGARGBFHD-UHFFFAOYSA-N 390.509 1.480 0 50 GDAA Cc1cc(C)n(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC(C)C)C2)c(=O)n1 219447580 NZIYEAFSOQPMFY-MSOLQXFVSA-N 388.512 1.746 0 50 GDAA CC(=O)N1CCC(CC(=O)Nc2ccn(C)n2)(N2Cc3ccccc3C2=O)CC1 1772500361 AHGMJQNNRPUJFD-UHFFFAOYSA-N 395.463 1.786 0 50 GDAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)c4csc(N)n4)C[C@@]3(CO)C2)co1 1772816501 OIBOMBIXNKQVGG-KPZWWZAWSA-N 391.497 1.403 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)CN)C[C@@]3(CCc3ccccc3)C2)nn1C 1772705908 KQHNMIXKRGTOTA-AVRDEDQJSA-N 395.507 1.221 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4ccns4)C[C@@]3(CO)C2)c(C)o1 1772709992 LDNFHNJQAHUDNW-SCLBCKFNSA-N 375.450 1.560 0 50 GDAA COc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)cc(OC)c1 11933717 SLBIHHCPNNSHNN-GOSISDBHSA-N 377.485 1.557 0 50 GDAA O=C(c1ccc2c(c1)no[n+]2[O-])N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 11938264 YYYNJLPVMRVQCI-OAHLLOKOSA-N 396.403 1.949 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)NCc1scnc1-c1ccccc1 14961022 OTXZXLXSRDHTSS-UHFFFAOYSA-N 383.481 1.709 0 50 GDAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1Cl 19214388 HEAQIRBRCDQADY-MRXNPFEDSA-N 385.855 1.893 0 50 GDAA COC(=O)C1=CN(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)N=C1C 169771867 DBPKINOTAJDWGB-UHFFFAOYSA-N 385.829 1.034 0 50 GDAA Cc1nccc(CN2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4CCS(C)(=O)=O)C2)n1 1857701879 WQCOXEXBRPXGPH-BWTSREIZSA-N 394.541 1.027 0 50 GDAA CN(C)c1cncc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)n1 1857712434 OXZKOCDTTOVQPN-QCBUCWTNSA-N 383.452 1.549 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCCc3csc(=N)[nH]3)CC2=O)s1 1857719729 UCKMNUAJCMTXCF-SECBINFHSA-N 380.499 1.071 0 50 GDAA CC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCn2cncn2)C1 1857723101 STMNQMGENZBAFO-NRFANRHFSA-N 397.527 1.726 0 50 GDAA COc1ccc(CCN(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1OC 1857734498 KOMUYJWHEWWHQT-NRFANRHFSA-N 386.496 2.000 0 50 GDAA O=C1N[C@@H]2COC[C@H]1CN(c1nnnn1Cc1ccc(-c3ccccc3)cc1)C2 1875251373 CLUDGZBOYSBXBE-MOPGFXCFSA-N 390.447 1.340 0 50 GDAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1ccc(OCC(F)(F)F)nc1 328636668 VQLPKQZYVZFTCP-LLVKDONJSA-N 390.387 1.760 0 50 GDAA O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)C1 330174712 ZFBLCSBHKCRZSK-CAOSSQGBSA-N 384.885 1.509 0 50 GDAA O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 262400889 UVFOFNNTACCUOD-GFCCVEGCSA-N 397.225 1.640 0 50 GDAA CCc1ccccc1OCC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1251659524 BGQIBLYOEYIVPA-UHFFFAOYSA-N 397.479 1.482 0 50 GDAA O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)C(=O)Nc1ccn(CCc2ccncc2)n1 874305459 LFMZRSASDRFJSZ-YESZJQIVSA-N 383.452 1.533 0 50 GDAA Cn1cc(NS(=O)(=O)c2cn(C)nc2C2CCOCC2)c(C(F)F)n1 1875281240 XQRMXRIPRYKWRA-UHFFFAOYSA-N 375.401 1.786 0 50 GDAA NC(=O)[C@@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCOC1 1875271638 SOBWPXMLYCZCKG-HIFRSBDPSA-N 396.369 1.570 0 50 GDAA C[C@@H](N=c1ccc2nnc(-c3cccnc3)n2[nH]1)c1cccc(S(N)(=O)=O)c1 1875324414 XPOITSNCZFYLJT-GFCCVEGCSA-N 395.448 1.429 0 50 GDAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(F)ccc1-c1ccoc1)C2 1875395697 JGMNFRNWPMJPKY-OAHLLOKOSA-N 392.408 1.200 0 50 GDAA O=C(CCc1nc(-c2ccsc2)no1)N1CCS(=O)(=O)CC12CCC2 1875321001 QFXVJHYDGAXGEL-UHFFFAOYSA-N 381.479 1.910 0 50 GDAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(CCN(C)C)cc1)C2 1875394754 VUWAXDJQGOEQPV-GVDBMIGSSA-N 382.464 1.766 0 50 GDAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)c1cccc3c1OCCCO3)C2 1875393173 IKZSZWQQHPQXLR-HNNXBMFYSA-N 395.463 1.222 0 50 GDAA O=C1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2C(=O)OCc2ccccc2)CCN1 1875301805 VQVQNWZXUJZJLU-HUUCEWRRSA-N 395.406 1.818 0 50 GDAA CC1(C)O[C@@H]2[C@H](O1)[C@H]1CC[C@]2(NC(=O)NCCn2cc([C@H]3CCOC3)cn2)C1 1875406077 WKTUBQJBQOIHSJ-ZUJMOGDFSA-N 390.484 1.759 0 50 GDAA COc1ccnc(N2CCN(C(=O)c3nn(C)c4c3C[C@H](C)O[C@@H]4C)CC2)n1 1875401582 LUDHPTIXIQLDQG-QWHCGFSZSA-N 386.456 1.203 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cccnc1-n1cccn1 1875403261 RNJJNPUSWNVEBK-DAXOMENPSA-N 386.843 1.687 0 50 GDAA Cc1cnc(N2CCC3(CC2)CN(C(=O)C2CCOCC2)[C@@H]2COC[C@@H]23)nc1 888103746 XCAIXAIGDDCSCF-ZWKOTPCHSA-N 386.496 1.655 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@H]1NC(=O)Cc1cc[nH]n1 2100555114 MGKBEUVLTNOKAS-NUEKZKHPSA-N 388.472 1.072 0 50 GDAA COc1ccc(N2C(=O)CN(C(=O)C3=NNC(=O)CC3)CC23CCCC3)cc1 12157727 GNRGWGKDTUSAOD-UHFFFAOYSA-N 384.436 1.449 0 50 GDAA O=C1CC[C@H](N2Cc3c(NC(=O)Cc4ccc(F)cc4)cccc3C2=O)C(=O)N1 1857798148 ROYIAILGVIIDJQ-KRWDZBQOSA-N 395.390 1.768 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)C1 4079281 LGGQEHKUWDZXGR-HNNXBMFYSA-N 384.498 1.424 0 50 GDAA C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 225680886 FFOBTDDCHLCYTQ-QDXKXIGTSA-N 398.916 1.651 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(-n4ccnc4)c3)ccc21 116601898 UZYDLFVUXOBYTI-UHFFFAOYSA-N 383.433 1.864 0 50 GDAA C[C@H](C(=O)N1CCc2c(c(C(=O)O)nn2CCO)C1)n1cnc2ccccc21 67562243 WITXXLJWMHCHGX-GFCCVEGCSA-N 383.408 1.069 0 50 GDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccncc1 170625204 PVGCPWIKFHAASX-SFHVURJKSA-N 391.431 1.732 0 50 GDAA biogenic Nc1nccc(N2CCC(Cn3cc(CN4CCn5cccc5C4)nn3)CC2)n1 23619826 QRBQCJMGECDKFV-UHFFFAOYSA-N 393.499 1.384 0 50 GDAA CN1CCC(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 65362978 BGEIQEZHRMJHLY-UHFFFAOYSA-N 375.494 1.816 0 50 GDAA COCc1cc(CN2CCC[C@H](CNS(=O)(=O)N(C)C)C2)ccc1OC 11761391 QVJPUABZPDTZKP-MRXNPFEDSA-N 385.530 1.450 0 50 GDAA COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C2)nn1 230247117 ROBGBFOHBLHABH-ZMSDIMECSA-N 375.473 1.493 0 50 GDAA CC1CCN(C(=O)C2CCN(CC(=O)NC3CCN(C(C)C)CC3)CC2)CC1 172053258 ALNBFFWDQRGQAG-UHFFFAOYSA-N 392.588 1.946 0 50 GDAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CC2(CCNCC2)CN1 72167547 GLXBEMBMZLNANJ-INIZCTEOSA-N 375.904 1.949 0 50 GDAA O=C(c1ccoc1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71416371 FDQABVAMQPYLOQ-INIZCTEOSA-N 375.469 1.455 0 50 GDAA Cc1nonc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71404175 ZGGVZIWBWAOULW-HNNXBMFYSA-N 375.473 1.317 0 50 GDAA CN(CCO)C(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77505626 ITSJVAYHTRRSDO-UHFFFAOYSA-N 386.839 1.805 0 50 GDAA CCc1nc(C)c(CC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(=O)[nH]1 72463813 SGWBGIPFRUOHCW-HNNXBMFYSA-N 376.501 1.143 0 50 GDAA CC(C)N1C[C@H](C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)CC1=O 236619976 PQCTXVCKZUEFBO-MLGOLLRUSA-N 375.400 1.676 0 50 GDAA CC1(C)C(c2cc(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)C1(C)C 333108267 RLNYUDOUKMNZPT-FKGLVLAHSA-N 386.452 1.660 0 50 GDAA CC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H](C(N)=O)N1C 229898426 FQJYTVOHDPTBFA-VOAKCMCISA-N 380.242 1.133 0 50 GDAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 225747165 ZAICVBVBOXRORG-TUVASFSCSA-N 396.465 1.580 0 50 GDAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(CCn2cncn2)CC1 426548853 RWKRBQVTEBQRBO-FQEVSTJZSA-N 397.527 1.270 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95506411 KDSZSUQBKXUALN-DYESRHJHSA-N 385.464 1.839 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@]1(C)CCCNC1)CC2 91593376 JNHYLDZGTBQLFI-HXUWFJFHSA-N 386.500 1.029 0 50 GDAA CN(C)Cc1nnc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)n1C 96140821 SOWIHDKJKXFMNU-UHFFFAOYSA-N 395.467 1.133 0 50 GDAA CCCn1cc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)cn1 95503672 DXGUXERMQSISLA-UHFFFAOYSA-N 380.474 1.833 0 50 GDAA O=C(O)Cn1nc(COc2ccc(F)cc2)nc1CN1CCCCCC1=O 97732458 CJGWLAIVYBHPCL-UHFFFAOYSA-N 376.388 1.983 0 50 GDAA COc1ccc(NC(=O)N[C@@H](C)Cc2cnccn2)cc1NS(C)(=O)=O 96165035 ZSBQBGFUMKMHTG-NSHDSACASA-N 379.442 1.609 0 50 GDAA COCCN1C[C@H](c2nc(-c3ccc(Cl)cc3)nn2CCO)CCC1=O 96160410 RVXYWFIRPQRHLJ-CQSZACIVSA-N 378.860 1.943 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)Cc2ccccc2F)CC[C@@H]1N1CCOCC1 91745541 UXQWMPYSVXTBMW-AEFFLSMTSA-N 378.444 1.782 0 50 GDAA COCc1noc(C[C@@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)CCO2)n1 96151819 LPWRZZVWQFHRBQ-GFCCVEGCSA-N 376.369 1.420 0 50 GDAA O=C(CCNC(=O)c1ccccc1F)NC1CCN(C2CCOCC2)CC1 244852935 VCCWCCUTLUQLOF-UHFFFAOYSA-N 377.460 1.705 0 50 GDAA O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(OCC(F)F)cc1 182680414 MDFUIWMEHNVIIZ-CQSZACIVSA-N 376.425 1.472 0 50 GDAA CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C(=O)O)cc1 299748967 ISBVEFCWNYIDCR-JKSUJKDBSA-N 376.453 1.702 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2cnn[nH]2)c1 267351476 JVXDMZMZCJTDNI-UHFFFAOYSA-N 399.498 1.575 0 50 GDAA O=C([C@H]1C[C@@H](O)CN1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1940196031 FGSVLIBNETUCBG-NVXWUHKLSA-N 394.475 1.378 0 50 GDAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc3nc(O)cc(C)c3c2)C1 670471443 MEGPILXJGYJCLD-AWEZNQCLSA-N 379.482 1.495 0 50 GDAA Cc1ccc(C(=O)N2CCC(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 952987530 LNBOBJHOCGCBSH-HNNXBMFYSA-N 393.509 1.334 0 50 GDAA COc1ccc(NC(C)(C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 952980184 JOARWFGXARENHS-UHFFFAOYSA-N 377.466 1.850 0 50 GDAA O=C(N1CCCC1)N1CC[C@@]2(O)CCN(Cc3nnc(C4CC4)o3)C[C@H]2C1 1565506877 CVFVACOPNYTLLN-KXBFYZLASA-N 375.473 1.422 0 50 GDAA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565508438 BKXHXRRZWWHZSM-WBVHZDCISA-N 380.448 1.791 0 50 GDAA C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 195189369 QOYURKJVXFNGOQ-CQSZACIVSA-N 386.415 1.955 0 50 GDAA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCCN(C(=O)CS(C)(=O)=O)C3)cc2c1 1506419222 YZTKBCFQWWOOGA-AWEZNQCLSA-N 391.493 1.489 0 50 GDAA COc1ccc2cc([C@@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)ccc2c1 1506405729 BPYCNVKOTVMCIQ-FQEVSTJZSA-N 385.464 1.680 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NC(C)(C)C(=O)N(C)C)[C@H]1c1ccccc1 1529185063 IQBAYAWJFTVHEA-SJORKVTESA-N 375.469 1.347 0 50 GDAA CC(=O)N1CC[C@]2(O)CCN(c3noc(-c4ccccc4)c3C(=O)O)C[C@@H]2C1 1704310452 XMVORLGVBQOIET-YWZLYKJASA-N 385.420 1.849 0 50 GDAA O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 1772492637 CHMOFTQDVVEPCK-IPMKNSEASA-N 398.507 1.878 0 50 GDAA CCOCC(=O)N1CCC[C@@]2(C(=O)NCCc3ccccn3)CCN(C)C[C@H]12 1775982081 HEHJTLIBGCTOKD-GHTZIAJQSA-N 388.512 1.090 0 50 GDAA OC[C@]12CN(CCCn3cccn3)C[C@H]1CN(c1ncc(Cl)cc1F)C2 1772804856 GDXZWYNUPYDUAX-KBXCAEBGSA-N 379.867 1.891 0 50 GDAA CN1CC[C@]2(C(=O)NCc3cnn(C)c3)CCCN(C(=O)c3cccnc3)[C@H]2C1 1775984377 RGWCBUGWAUPOJR-GHTZIAJQSA-N 396.495 1.058 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCN1CCOCC1)C2 1772814764 AMFOPIUGPFMOBU-AWEZNQCLSA-N 390.509 1.968 0 50 GDAA COc1cccc(C(=O)N2C[C@@H]3CN(CC(=O)O)C[C@@]3(CCC(=O)O)C2)c1 1772709213 JECMPZLXMOWLDG-LIRRHRJNSA-N 376.409 1.019 0 50 GDAA CN1N=C(C(=O)N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CCC1=O 11753364 ILEUSSDXMMQVJF-UHFFFAOYSA-N 382.376 1.563 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1 12384299 NXIUIOFJKMTCKN-RCJHGTSTSA-N 380.393 1.090 0 50 GDAA biogenic CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 13595162 HISSKCMKLPPMHM-GOSISDBHSA-N 375.517 1.502 0 50 GDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCC(F)(F)F)c1 14976127 RUHFACIOIGWNHE-HNNXBMFYSA-N 392.418 1.544 0 50 GDAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1 19852344 TYKUJHGBYRWLPC-JOCHJYFZSA-N 396.443 1.792 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2c(C)cccc2CC)S(=O)(=O)N=C1C 169771877 SFDOFUGSVVKHRT-UHFFFAOYSA-N 393.465 1.964 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cc(C)n(C)n3)C2=O)cc1 206257219 KMHSDEINHRUWNM-OAHLLOKOSA-N 385.424 1.229 0 50 GDAA CN(Cc1cccnc1)C[C@]1(O)CCCN(c2ccc(-c3nccn3C)nn2)C1 1857716672 DFIBJBIQQQGPQD-OAQYLSRUSA-N 393.495 1.735 0 50 GDAA O=S(=O)(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cccnc1C(F)(F)F 1857716707 DYFUPYYWYHTFOV-FRRDWIJNSA-N 391.415 1.630 0 50 GDAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)C4CCCCC4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857718155 AWKMSTAZYPZXGN-BIZBXSGISA-N 385.512 1.621 0 50 GDAA CCc1nc(CN2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)n[nH]1 1857734218 FHQGSAFSZLBQOA-BIZBXSGISA-N 381.480 1.777 0 50 GDAA CCCc1cc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n2ncnc2n1 110585432 BPJGRAYCYXAPJA-GOSISDBHSA-N 396.495 1.639 0 50 GDAA C[C@H]1CN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C[C@H](C)N1 153677151 HOUACGQXCSJXJC-YUMQZZPRSA-N 394.266 1.058 0 50 GDAA CN(Cc1nncn1C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 377123121 NQKKNYXTWKKZBG-AWEZNQCLSA-N 397.888 1.280 0 50 GDAA NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)c3cnn(CCF)c3)c2)C1 497693216 YQPUHGHMTSAVIV-QGZVFWFLSA-N 387.459 1.480 0 50 GDAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(-c4ccc(F)cc4)n(C)n3)C(=O)[C@@H]2C1 1875291288 UGULCZDXSZYRGA-WFASDCNBSA-N 386.383 1.946 0 50 GDAA COCCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 1775996998 PRYLLHCYZBQSJC-ZDUSSCGKSA-N 394.516 1.272 0 50 GDAA Cc1nn(C)cc1C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2(C)CC2)C1 1775962872 RHYKTPGDKVSHND-GDBMZVCRSA-N 384.484 1.234 0 50 GDAA Cc1sc(=O)n(CC(=O)Nc2ccc3c(c2)COB3O)c1-c1ccccc1 1776003282 ZKMJAFCJJFSGKI-UHFFFAOYSA-N 380.234 1.742 0 50 GDAA CN(C)[C@H](CNC(=O)N1CC(n2cnc3ccccc3c2=O)C1)c1cccnc1 2325769758 JGMFIZQPVSKEEX-LJQANCHMSA-N 392.463 1.661 0 50 GDAA C[C@H](CN(C)C(=O)C[C@@H]1CCCCC1(F)F)NC(=O)C[C@H]1COCCO1 2325825481 RFEXVVQXEVMHHI-ILXRZTDVSA-N 376.444 1.971 0 50 GDAA CN(C)c1nc2ccc(NC(=O)[C@@H](N)Cc3nc[nH]c3Br)cc2[nH]1 2325856805 CZJNNNCUJAZVDR-VIFPVBQESA-N 392.261 1.623 0 50 GDAA CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 225427538 WOKWJXPEHXNZPG-UHFFFAOYSA-N 378.241 1.474 0 50 GDAA CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CCCCC(N)=O 225841194 USBBAINQPZITJB-UHFFFAOYSA-N 383.832 1.326 0 50 GDAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCO)CC1 67841227 ZITXFCMNOXCYGI-UHFFFAOYSA-N 386.452 1.837 0 50 GDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccnc3)C2=O)cc1OC 170625624 PMQJDLVKFFBAQI-HNNXBMFYSA-N 398.419 1.591 0 50 GDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(Cc3ncc[nH]3)CC2)C1 67804825 ZAQKYURXHVSPEV-KRWDZBQOSA-N 382.512 1.798 0 50 GDAA Cc1cccc(OC2CCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1 65375392 BFFUJHXMLZLHGO-MRXNPFEDSA-N 380.510 1.484 0 50 GDAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 65365546 MZSMVFPMYIRVFE-ZDUSSCGKSA-N 381.498 1.825 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n1 67755722 JHOKAGKMAWTFKQ-HNNXBMFYSA-N 385.468 1.666 0 50 GDAA C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67540210 BLAZSXBXELIUPV-JTQLQIEISA-N 381.479 1.869 0 50 GDAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccc(=O)[nH]c1=O 72436646 YASYGDIJSKFDBD-UHFFFAOYSA-N 376.463 1.770 0 50 GDAA CCOC(=O)C[C@@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 12763016 YVLBGQLYEREUCF-CYBMUJFWSA-N 379.438 1.911 0 50 GDAA COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2nnn(C)n2)CC1 369737942 VTTXHESTEIQHQG-UHFFFAOYSA-N 392.847 1.041 0 50 GDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 376171895 LMZMJTBKWKDYLQ-QYZOEREBSA-N 392.459 1.905 0 50 GDAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)NC1CCN(c2ccccn2)CC1 454326341 GEKZCDJDUWVZDS-MRXNPFEDSA-N 380.514 1.659 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N[C@@H]3CCCN[C@H]3C)CC2=O)cc1OC 262841459 XMHJGENMXKSCLK-USXIJHARSA-N 389.496 1.352 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CC[C@](O)(c2ccccc2)C1 77298582 PWQHZOJBGGVQPY-OAQYLSRUSA-N 378.432 1.463 0 50 GDAA Cn1cncc1[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccnn3C)C2)CCO1 333772392 YEZBVYCFJBUNCW-VYDXJSESSA-N 387.488 1.342 0 50 GDAA COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CC4(CCNCC4)CN3)cn2)c1 72150379 VOHMMHHOWJVSCV-LJQANCHMSA-N 383.496 1.571 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(=O)O)c1 237693761 MEJXTFVTYVGEFM-SJORKVTESA-N 384.432 1.996 0 50 GDAA Cc1nccn1C[C@H](C)CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 193595363 FKKJMOALRRSJJY-CQSZACIVSA-N 390.509 1.970 0 50 GDAA O=C(NCCSc1nc[nH]n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426596644 SELJYSMGRLVWTF-QGZVFWFLSA-N 386.525 1.782 0 50 GDAA Nc1ncc(-c2ccc(C(=O)N3CCCC[C@H]3CN3CCOCC3)cc2)cn1 426401664 GHTXLBFGUDQWMD-IBGZPJMESA-N 381.480 2.053 0 50 GDAA Cn1cc(C(=O)N2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)cn1 96165020 SMKONXYJKGPQQU-UHFFFAOYSA-N 385.516 1.944 0 50 GDAA CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95353800 MAJUGXSBJJMXSE-QWHCGFSZSA-N 384.527 1.146 0 50 GDAA COc1ccc(CN2CCN(C)[C@@]3(CCNC(=O)CC3)C2)cc1Cn1cccn1 92107686 XWBYJYILFOVWIR-QFIPXVFZSA-N 397.523 1.726 0 50 GDAA NS(=O)(=O)N1CCC(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 292146631 UVEXRGYGODCVBY-QGZVFWFLSA-N 393.509 1.112 0 50 GDAA CC(C)=CCN1CCN(C(=O)CCOc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95531168 CYPYYQOWIDGULS-MOPGFXCFSA-N 392.521 1.732 0 50 GDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CCc2cnccn2)CC1 96136783 UJELFAPJIYRHLY-UHFFFAOYSA-N 395.471 1.067 0 50 GDAA Cc1ccnn1CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95525054 FWQOGEDSKHAMML-UHFFFAOYSA-N 396.495 1.617 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 95506677 JAJKWTIDBYZQNG-NSHDSACASA-N 376.438 1.221 0 50 GDAA Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 293103717 ZNKVRSBNLLTSDB-RYZVSIALSA-N 389.403 1.276 0 50 GDAA O=C(CN1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1)N1CCOCC1 91746043 PBYIUVUAZUDGAT-UHFFFAOYSA-N 399.535 1.793 0 50 GDAA O=C(CCN1CCC[C@H]1C(=O)N1CCOCC1)NCc1cccc(Cl)c1 244787992 QHKUJTVYOUTPRM-KRWDZBQOSA-N 379.888 1.670 0 50 GDAA CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 183433507 ROFOXQPOTKXDSF-OAHLLOKOSA-N 392.481 1.625 0 50 GDAA O=C(NCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccnc1 298662481 OOZGSCXDOKYIIT-UHFFFAOYSA-N 395.463 1.872 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 266388688 VLZALWGVYLWTDN-HNNXBMFYSA-N 393.513 1.781 0 50 GDAA Cc1cnc(-n2cnnc2)c(-c2cccc(C(=O)N3CCN(C)C(=O)C3)c2)c1 534590230 YUXMSLBZUTVLQK-UHFFFAOYSA-N 376.420 1.552 0 50 GDAA Cc1nn(C)c(Cl)c1CN1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 825290530 HOJVKAIQYHYCGH-UHFFFAOYSA-N 393.875 1.877 0 50 GDAA COc1ccc(OCc2nc(-c3c(C)nc4ncccn34)n(CCO)n2)cc1 828778307 FYMBDCOFVAOLSO-UHFFFAOYSA-N 380.408 1.876 0 50 GDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc3c2OCCO3)cn1 275365833 WGOLRVMHXPDTDN-XJKSGUPXSA-N 379.438 1.483 0 50 GDAA COC[C@@H](C)N(Cc1ccc(SC)cc1)C(=O)c1c[nH]nc1-n1cnnn1 1506423204 DHNPOXNZFXFESB-GFCCVEGCSA-N 387.469 1.785 0 50 GDAA O=C(CN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1)Nc1ccc(Cl)cn1 1529173569 MCTHUJAMQPTSTI-FXAWDEMLSA-N 389.883 1.962 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cccc(Cn4cccn4)c3)C[C@@H]12 1704337145 WSSSKYMTACBWLV-NQIIRXRSSA-N 382.464 1.943 0 50 GDAA Cn1cccc1C(=O)C(=O)N1C[C@H]2CN(C(=O)CC3CCCC3)C[C@@]2(CO)C1 1772710551 BPPYIWBXOUGXGG-IERDGZPVSA-N 387.480 1.067 0 50 GDAA OCC1(CO)[C@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)C[C@H]21 1772701610 AQTYZXJWLDGULH-KDURUIRLSA-N 379.932 1.385 0 50 GDAA C[C@H](CCN(C)CCn1cc(C(=O)N2CCN(C)CC2)nn1)c1ccccc1 11910125 JXCZEBQQPIBBDH-GOSISDBHSA-N 384.528 1.791 0 50 GDAA CC(C)CNC(=O)c1cn([C@@H]2CCCN(C(=O)COc3ccccc3)C2)nn1 12037829 MRXDPFXHQALEBA-MRXNPFEDSA-N 385.468 1.906 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCc2cnn(C)c2)CC1 15076051 OIIJTXWXSNANDY-HXUWFJFHSA-N 392.544 1.719 0 50 GDAA O=C(NCCCCc1ccccn1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19228449 VXOSTOVGYOVIML-GOSISDBHSA-N 388.512 1.091 0 50 GDAA CCc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)nc1 19798566 SQAFIUJRBLMKOM-SFHVURJKSA-N 388.512 1.173 0 50 GDAA CCS(=O)(=O)NC[C@@H]1CCC[C@H](NC(=O)CCc2cc(Cl)no2)C1 1857679213 HWVYYRCVQXDTDP-NEPJUHHUSA-N 377.894 1.875 0 50 GDAA CCCN(C)C[C@H](O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 1857724939 GBACBHSMJLBAHX-SFHVURJKSA-N 397.541 1.197 0 50 GDAA N=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)Cc4ccsc4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857726419 QCWUQNVAGUXLJH-NRTGNBEESA-N 385.493 1.293 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cnc4c(c3)CCCC4)C[C@H]2CO1 1857728196 RINHZBPZFPXGNR-BZSNNMDCSA-N 386.496 1.010 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(-c5nc[nH]n5)cc4)[C@@H]2CC(=O)N13 1857736616 ODKUGRWDDRLEOV-YRNRMSPPSA-N 381.436 1.670 0 50 GDAA CCc1nc(O)ccc1C(=O)N[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1OC 1875250988 IWNFWFLDIPVHQH-IAOVAPTHSA-N 375.469 1.886 0 50 GDAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)CC2)C1 249464769 GUDFNYODQRMGOX-ZORRFIEOSA-N 389.540 1.185 0 50 GDAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C12COC(C1)C2 1875293725 AJCTVVKQCSMFCK-WCVRRQIGSA-N 389.857 1.738 0 50 GDAA COC[C@@H]1CC[C@H]([C@@H]2COCCN2c2ncc(S(C)(=O)=O)cc2Cl)O1 1875392302 MIQYSHLMRAGCAK-TUKIKUTGSA-N 390.889 1.538 0 50 GDAA COc1ccc(C(=O)N2C[C@@H]3CCN(c4nc(C)nc(C)c4C)C[C@@H]3C2)nn1 1875302144 BLTYDQOMUFUZNK-JKSUJKDBSA-N 382.468 1.799 0 50 GDAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCC[C@@H]3c3nn[nH]n3)=NO2)C1 1875340186 PKQSGZATFJCTBS-SJKOYZFVSA-N 391.432 1.019 0 50 GDAA CN1CCC2(CC1)CN(C(=O)NCCn1cc(-c3ccoc3)cn1)[C@@H]1COC[C@@H]12 1875397938 UPOLPUNPIMAKOY-RBUKOAKNSA-N 399.495 1.895 0 50 GDAA COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1 1837733 BEUGKZZSJSPXNY-UHFFFAOYSA-N 397.391 1.481 0 50 GDAA O=C(NCc1ccccc1CN1CCOCC1)c1ccncc1N1CCOCC1 2325759876 JLLOMNBPTUNYAC-UHFFFAOYSA-N 396.491 1.680 0 50 GDAA C[C@@H]1CC(=O)NC[C@H]1C(=O)NC1(C(=O)NCc2cccs2)CCCCC1 2325784757 HSTDTZYNRUSACB-UKRRQHHQSA-N 377.510 1.956 0 50 GDAA CCCC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 2325785089 AVRQHQNXMNHOSV-HRPMKQFTSA-N 396.513 1.630 0 50 GDAA Cc1cc(O)cc(C(=O)N[C@H]2CCCCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)c1 2325863945 ARPAQSPOGYIRGK-RDJZCZTQSA-N 387.480 1.680 0 50 GDAA O=C(Cc1cnc(O)nc1O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 2356161211 KTQSKTIIHBUMRZ-PBHICJAKSA-N 380.404 1.352 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356169299 OXNDTHGHQLKMKT-DBXWQHBBSA-N 388.512 1.787 0 50 GDAA Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccc(F)cc2)cc1 3005119 LMROWEHYWOOZSO-UHFFFAOYSA-N 380.441 1.434 0 50 GDAA CC(=O)N[C@@H](CC(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 55072806 GONAWCUTWRJSSS-HNNXBMFYSA-N 389.905 1.285 0 50 GDAA O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC(C(=O)N2CCCCC2)CC1 225505412 JMJMOMKSGRYKOM-UHFFFAOYSA-N 383.456 1.919 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1ccccc1 20454813 HVTRLXLHQHRNAQ-UXHICEINSA-N 381.476 1.952 0 50 GDAA COCCn1cnnc1CNC1CCN(c2cccc(-n3cccn3)c2)CC1 23431717 QOOXGSBMLZJEEU-UHFFFAOYSA-N 381.484 1.869 0 50 GDAA C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 25108555 KEJLIXOIQLDOLK-SJKOYZFVSA-N 393.399 1.289 0 50 GDAA Cc1nc2ccccn2c1CC(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 65409849 RCBWVIFFCQQQQI-UHFFFAOYSA-N 378.436 1.316 0 50 GDAA COC(=O)C(C)(C)NC[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O 67934743 XLFMLZGBXQBDRE-IBGZPJMESA-N 382.432 1.229 0 50 GDAA CCc1cc([C@H](C)NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)on1 67803282 WWNBDDVLUOHADI-QMMMGPOBSA-N 385.467 1.682 0 50 GDAA C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)n1cccn1 329027599 KEKLYAPDFLZPCI-HIFRSBDPSA-N 385.472 1.304 0 50 GDAA COc1cccc(OC)c1CN1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72409091 HATROXBLUAGMPS-MSOLQXFVSA-N 394.537 1.953 0 50 GDAA COc1c[nH]c(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1=O 71776337 HVHHRTDLARUVHJ-OAHLLOKOSA-N 388.512 1.339 0 50 GDAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H](c1ccccc1)N1CCOCC1 230131169 UPBLFJFXAKBADE-GUDVDZBRSA-N 399.491 1.351 0 50 GDAA Cn1nnc2cc(C(=O)N3CCOC[C@@H]3CC(=O)Nc3ccccc3)cnc21 72463719 NLPIOZFQJKLYHE-HNNXBMFYSA-N 380.408 1.233 0 50 GDAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3snnc3C)CC2)n1 77128468 UKVDPQXLDFXLRV-UHFFFAOYSA-N 387.513 1.898 0 50 GDAA CCN1CCO[C@@H](C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 172747321 DEXMLUIQIXKZGZ-CRAIPNDOSA-N 392.475 1.907 0 50 GDAA Cn1cc(C[C@H]2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cn1 363587814 DUPYUJHEPCQMRP-OAHLLOKOSA-N 381.480 1.815 0 50 GDAA COCc1nc(OC)c2c(C)c(C(=O)N3CCNC[C@H]3C(F)F)sc2n1 367994821 VKJQRVAEWBYMQU-VIFPVBQESA-N 386.424 1.834 0 50 GDAA C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)Cn3cccnc3=O)c2)C1=O 375911818 JIELVLLXDFNQOW-LJQANCHMSA-N 381.392 1.107 0 50 GDAA CS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 282866111 XQUWAPWWZJZXJV-HNNXBMFYSA-N 396.513 1.634 0 50 GDAA O=C1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CN1CC1CC1 333275356 IMCUSZADTZHQAZ-OAHLLOKOSA-N 393.896 1.893 0 50 GDAA Cc1c(CC(=O)NCc2nnn[nH]2)c2c(n1Cc1ccccc1)CCCC2=O 95505285 PYIOUWNQUNIUCQ-UHFFFAOYSA-N 378.436 1.736 0 50 GDAA O=C1CN(Cc2cn(C3CCN(c4ncnc5sccc45)CC3)nn2)CCN1 23192084 ORFDMUQANCIVTH-UHFFFAOYSA-N 398.496 1.056 0 50 GDAA CCn1cc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nn1 96150592 JWLPYZDORWSMLI-UHFFFAOYSA-N 376.368 1.522 0 50 GDAA CCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 184480063 QYXJUGIAWBBRDX-SFHVURJKSA-N 375.517 1.679 0 50 GDAA O=C(CCc1ccccc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299772294 XPYGYGGQXGMBKZ-NRFANRHFSA-N 399.535 1.980 0 50 GDAA COCCc1noc(CNC(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)n1 584902542 POGPROBWEOOYHW-UHFFFAOYSA-N 385.424 1.454 0 50 GDAA Cc1noc(C)c1C(=O)NC[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 952972776 AALFZOPVZYNOOG-OAHLLOKOSA-N 396.451 1.705 0 50 GDAA Nc1nnc(SCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)s1 1565510022 MEVMGORBNFERPS-STQMWFEESA-N 380.495 1.703 0 50 GDAA O=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)C[C@@H]1CCCCO1 274914767 LMQIFJQDAOFJMR-XJKSGUPXSA-N 384.429 1.791 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H]1O 1529145966 REEREPOKEDWCAI-MAUKXSAKSA-N 393.509 1.201 0 50 GDAA CCOC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 11720830 RFQMYKLNNNQMAZ-MRXNPFEDSA-N 376.453 1.498 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 11818196 VMJGSMVTHLFSPV-OAQYLSRUSA-N 399.535 1.619 0 50 GDAA Cc1c(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cnn1C 12592512 AEZWLPUUICTEKK-LJQANCHMSA-N 378.423 1.650 0 50 GDAA CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(C(N)=O)c1C 12623196 HVENEIWMIVYRKA-NXEZZACHSA-N 383.470 1.380 0 50 GDAA COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccccc4)C(=O)N3C2)c1 14746300 BCNWBKBLJXODOA-SXLOBPIMSA-N 379.460 1.495 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)c2cn(CCN3CCCCC3)nn2)o1 15079304 XCXFKCUHWORADZ-UHFFFAOYSA-N 375.429 1.464 0 50 GDAA Cc1cccc(CNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)n1 19954450 MJUKNFBGHCFNSG-UHFFFAOYSA-N 377.452 1.251 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNCc2ccc(C(F)(F)F)nc2N(C)C)N1C 1857529063 KSKKMMFMTFAUHY-WBMJQRKESA-N 376.423 1.338 0 50 GDAA CC(C)NC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3 1857728013 JLHUOPYXKQCBPZ-NRTGNBEESA-N 377.510 1.482 0 50 GDAA O=C(NCc1cc[nH]n1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857728575 IBWNHCSVORTGLP-CYBMUJFWSA-N 382.449 1.521 0 50 GDAA CCn1cc(CN2CCC(OC)(C(=O)NCc3cnc4cnccn34)CC2)cn1 1857737371 JMGFCQIHNQGCAG-UHFFFAOYSA-N 397.483 1.243 0 50 GDAA O=C(c1ccccn1)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 207012806 BCHFMCHVHHHLID-PMACEKPBSA-N 384.455 1.618 0 50 GDAA CO[C@]1(c2nnc(Cn3cc4cc(C(=O)N5CCCC5)ccc4n3)o2)CCOC1 902561066 FEUHFBQQHJVINU-HXUWFJFHSA-N 397.435 1.966 0 50 GDAA CC(=O)N1C[C@H](C(=O)NCC(=O)N2CCCc3ccccc32)Oc2ccccc21 919994109 OIYXBJFNGKNMLZ-HXUWFJFHSA-N 393.443 1.896 0 50 GDAA COC[C@@](O)(CO)CNC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 1875296400 UWYSBCXKGRJKOI-INIZCTEOSA-N 391.440 1.355 0 50 GDAA CCOC1CC2(C1)C[C@H]2C(=O)N1CC[C@@H](n2cc(-c3ccc(=N)[nH]c3)nn2)C1 1875353361 PXXLPXXGZUZMHX-JQCXZVQFSA-N 382.468 1.731 0 50 GDAA C[C@]1(C[C@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)NC(=O)NC1=O 1322538423 NHKWFDDLYMABII-MPBGBICISA-N 397.435 1.247 0 50 GDAA O=C(CSc1nnnn1-c1ccccc1F)NCc1ccc2c(c1)OCO2 894834 BONHZZBEOOHIEM-UHFFFAOYSA-N 387.396 1.939 0 50 GDAA CN(C)C/C=C/C(=O)N[C@@H]1CN(C(=O)/C=C/CN(C)C)CCc2ccccc21 2325794618 KHHZGAQRJLLGII-YUWNMBOYSA-N 384.524 1.464 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CCC5(CCCC5)C4)cc3C2=O)C(=O)N1 2325886593 BLOZZHOTPVKGSY-QGZVFWFLSA-N 395.459 1.854 0 50 GDAA C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893487 QKEHOYPNJSVPOU-LRDDRELGSA-N 384.436 1.711 0 50 GDAA CCOc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1 1157223 YHWXOZQITXKYJA-UHFFFAOYSA-N 391.449 1.589 0 50 GDAA COC1(CN(C)C)CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 2356139062 LUUSJJUPWPEMSU-UHFFFAOYSA-N 383.514 1.134 0 50 GDAA CS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356154651 DMJHYQJRESLJDO-IBGZPJMESA-N 386.477 1.413 0 50 GDAA COC(=O)C1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)CC1 2917230 MJRZVTVAKXARGA-UHFFFAOYSA-N 382.420 1.520 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CCC(c4nccn4CC4CC4)CC3)c(=O)n2n1 101947335 GZGIJHBXSQPOSD-UHFFFAOYSA-N 380.452 1.957 0 50 GDAA CCC1(CO)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 134611325 SPULFIQYOSKSTA-UHFFFAOYSA-N 397.541 1.824 0 50 GDAA CC(C)(C)c1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)n[nH]1 11936199 WJLICJLEWMBEOI-INIZCTEOSA-N 384.484 1.109 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)n1 328616674 CADQUIOMNISCTB-FDLBOYPASA-N 399.856 1.851 0 50 GDAA CC(C)n1cc(C[C@H]2N=C(O)N(CCN3CCCc4ccccc43)C2=O)nn1 328616013 ZMKBTRWSCYLXIQ-QGZVFWFLSA-N 382.468 1.979 0 50 GDAA COc1cccc(CN2CCC3(CC2)CN(C)C(=O)O3)c1O[C@H](C)C(=O)O 72476566 LSXQPTAEUJPART-CYBMUJFWSA-N 378.425 1.964 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 328625494 KUSVKIATQYBUOV-WCQYABFASA-N 381.410 1.036 0 50 GDAA CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)C1 363540345 VNRUOJAQCHVVFA-SFTDATJTSA-N 398.551 1.459 0 50 GDAA NC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32768416 MCELOCBYRYMIOD-ZDUSSCGKSA-N 393.490 1.886 0 50 GDAA CCc1cccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)c1 426643088 YGBLGDUGZBBKEJ-HNNXBMFYSA-N 386.452 1.091 0 50 GDAA O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82100252 ABQDWQBVDHROEL-UHFFFAOYSA-N 378.388 1.710 0 50 GDAA Cc1noc(CSCC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)n1 426358190 FVAHDUVCNZUNIW-CYBMUJFWSA-N 376.467 1.951 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C2CCNCC2)CC1 95526540 TZHNLBOYDLPIIM-UHFFFAOYSA-N 391.512 1.667 0 50 GDAA CC(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)nc2ncnn12 92062171 WNCYKNJMHBRIKF-UHFFFAOYSA-N 379.468 1.991 0 50 GDAA CCOC(=O)Cc1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1 95497922 HNEXIXSYMMJZLZ-UHFFFAOYSA-N 385.468 1.875 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@H](Cc2cccc(CO)c2)C1 95376835 VYGFVKIMDAHGPB-SFHVURJKSA-N 377.448 1.788 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1cccnc1 91365107 HIQCVSVMFVTPMQ-OAQYLSRUSA-N 380.448 1.815 0 50 GDAA Nc1ncc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c(-c2ccccc2)n1 97772845 DDFPQNPAFICFKG-CQSZACIVSA-N 376.420 1.829 0 50 GDAA O=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 92078210 MBWVRVTUMWDIPM-FQEVSTJZSA-N 399.535 1.839 0 50 GDAA NS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 298914628 APJHKMPCGVSRRT-HNNXBMFYSA-N 387.889 1.155 0 50 GDAA O=C(CNC1CC1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940193594 HXASUSSNJZTEBX-UHFFFAOYSA-N 379.464 1.803 0 50 GDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1cnc2c(N(C)C)ncnc21 827883320 LYXUJOUKNOKHGK-JKSUJKDBSA-N 385.516 1.615 0 50 GDAA biogenic NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 670443376 IGQVEUAMMOBTPR-LBPRGKRZSA-N 397.497 1.929 0 50 GDAA Nc1nc2nc(CN3CCCC[C@H]3C(=O)OCc3ccccc3)cc(=O)n2[nH]1 856739879 KINWVKHDKCSMSD-HNNXBMFYSA-N 382.424 1.098 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCCN(c3ccncc3C)CC2)cc1 952981434 TWNKEZQQEGSRFV-UHFFFAOYSA-N 388.493 1.651 0 50 GDAA CCCCc1ncc(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)[nH]1 1565527808 KECQIDZPIYWYJS-PMACEKPBSA-N 398.555 1.905 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 186126472 LGYTWWRZUWNEEA-MRXNPFEDSA-N 379.526 1.569 0 50 GDAA O=C(Cn1c(-c2cccs2)noc1=O)N1CCC(C(=O)N2CCCC2)CC1 170698142 IMTJULXCXACKFM-UHFFFAOYSA-N 390.465 1.426 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 187510278 FIYOEGUTUQURHQ-SECBINFHSA-N 388.902 1.945 0 50 GDAA O=C(NCC(=O)N1CCCc2ccccc21)N1CCN(c2ccccn2)CC1 194422000 WMNZDWXUNFYQSF-UHFFFAOYSA-N 379.464 1.893 0 50 GDAA Cc1cnc(O)n1-c1ccc(C(=O)NCc2cccc(OCC(N)=O)c2)cc1 742770785 PLKVTCWUVGBAOT-UHFFFAOYSA-N 380.404 1.680 0 50 GDAA COc1cc(-c2onc(N3CCN(CCN(C)C)CC3)c2C(=O)O)ccc1F 1704336361 GSGJKMVNMYMTGQ-UHFFFAOYSA-N 392.431 1.871 0 50 GDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc(C(=O)N2CCOCC2)cc1 1704278278 MSXROPTVUPJTFR-UXHICEINSA-N 395.459 1.542 0 50 GDAA O=C(NCCN1CCCCC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772813760 SEIFDSUFQOBWFD-HNNXBMFYSA-N 378.542 1.687 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1OC 13679685 HRUROTFQHNRZOM-UHFFFAOYSA-N 377.422 1.814 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 14748189 JRQFKYQNOBAELE-UHOSZYNNSA-N 385.414 1.765 0 50 GDAA Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3COCCO3)C2)c(Cl)c1 1857530422 LWTSESWPTOHIIC-PBHICJAKSA-N 380.872 1.984 0 50 GDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)ccc21 1857669728 JUAVSPKWVYAWOC-QFBILLFUSA-N 394.493 1.005 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1cnn2cccnc12 1857693198 MMKXISHWVYZABE-AWEZNQCLSA-N 397.464 1.755 0 50 GDAA O=C(NC1Cc2ccccc2C1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857694303 KAZOXMUUNNADCO-KJXAQDMKSA-N 383.536 1.751 0 50 GDAA CS(=O)(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C[C@H](O)c2ccccc2)C1 1857708807 OEPBSSZSWGHBCO-ZSYWTGECSA-N 380.510 1.377 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(S(=O)(=O)c2cnn(C)c2C)CC1 1857717578 ZGVWAVKAZIXGDX-UHFFFAOYSA-N 377.470 1.201 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc4ncccc4c3)C[C@H]2CO1 1857726813 DJDHFQPKLVUWGK-BZSNNMDCSA-N 382.464 1.285 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@@H](C(=O)N(C)C)C1 1857728436 BIWOEXPRTFOCRF-GFCCVEGCSA-N 375.454 1.092 0 50 GDAA OC1CCN(c2ccnc(N3CC[C@H](c4ccc5c(c4)OCO5)[C@@H](O)C3)n2)CC1 212201100 SOLCDIUQGHONEZ-SJORKVTESA-N 398.463 1.521 0 50 GDAA O=C(c1ccc(-n2cnnc2)cc1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 216872953 BFQZOBACDVZKLY-QAPCUYQASA-N 375.436 1.798 0 50 GDAA CC(C)[C@H](C(=O)N1CCOC2(CCOCC2)C1)n1nnc(-c2ccccc2)n1 162615864 HYGIXSLKNHXYBB-QGZVFWFLSA-N 385.468 1.945 0 50 GDAA CN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1=O 265648853 KTSPRXLHXRTWJB-ZBFHGGJFSA-N 377.872 1.881 0 50 GDAA C[C@@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)c1ccc(-n2cncn2)cc1 822267675 LUMWHMJQOMMSAO-QAPCUYQASA-N 375.498 1.734 0 50 GDAA O=C(O)c1cncc(-n2cc([C@@H]3CC[C@H](NC(=O)c4cncc(F)c4)C3)nn2)c1 1875325233 VACHMUZUZUJTMM-ABAIWWIYSA-N 396.382 1.961 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2noc3ccc(F)cc23)ncn1 1875398451 QSCXRPFMBAXOEU-ZIAGYGMSSA-N 386.431 1.870 0 50 GDAA CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cn(CC(C)C)nc1C(F)F 888101827 HTHAMVPRSOHGIT-WDEREUQCSA-N 380.417 1.410 0 50 GDAA Cn1nc(Cn2cnc3c(c2=O)CCN(C(=O)OC(C)(C)C)C3)cc1Cl 2325758814 XVCFWNQKGLYLAT-UHFFFAOYSA-N 379.848 1.972 0 50 GDAA C[C@H]1CN2C(=O)[C@@H](c3cccc(I)c3)NC(=O)[C@@H]2CO1 2325801854 YNHCRGMEQXIJPE-KPXOXKRLSA-N 386.189 1.078 0 50 GDAA CN(CC(=O)NS(=O)(=O)c1ccc(O)nc1)c1nc2ccccc2s1 2325874229 FEASOFHOBORNQK-UHFFFAOYSA-N 378.435 1.338 0 50 GDAA CC(=O)N[C@H](C(=O)NC[C@]1(O)CCO[C@@H]1C)c1cccc(Br)c1 867908320 JYVVORAOJPPFRU-FUEDEBDSSA-N 385.258 1.282 0 50 GDAA CN1CCN(C[C@H](O)COc2ccc(CN(C)Cc3cnn(C)c3)cc2)CC1 20201727 FBNRGLODUYGBNP-FQEVSTJZSA-N 387.528 1.039 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c1 467927321 PTIKIGMSMHKKJM-NDBYEHHHSA-N 378.372 1.889 0 50 GDAA CC(C)C1=NO[C@H](C(=O)N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)C1 65420538 NEAACASUHAQJBV-SFHVURJKSA-N 396.451 1.351 0 50 GDAA O=C(O)c1nn(Cc2ccncc2)c2c1CN(C(=O)CCN1CCCC1)CC2 67447342 WNSJKIZASKBJCA-UHFFFAOYSA-N 383.452 1.395 0 50 GDAA CCn1c(CC2CCN(C(=O)CC(=O)Nc3cccc(C)c3)CC2)n[nH]c1=O 65396298 XXDXFBYHBBACIA-UHFFFAOYSA-N 385.468 1.710 0 50 GDAA Cn1ncc(I)c1C(=O)NCc1cc(C(C)(C)C)[nH]n1 4631418 VQEVAYRLFGAHAP-UHFFFAOYSA-N 387.225 1.975 0 50 GDAA CNS(=O)(=O)c1ccc(CN2CCN(c3nc(C)cnc3C)CC2)cc1 71762506 IUPJREQUGDQHGS-UHFFFAOYSA-N 375.498 1.324 0 50 GDAA CCN1CCC[C@H]1CNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 71751884 YWYJZYAWSYWHNV-INIZCTEOSA-N 380.496 1.784 0 50 GDAA COc1ccccc1N1CC[C@@H](N2CCN(Cc3c(C)nn(C)c3C)CC2)C1=O 151067820 YTUOIKOKFJTTBW-HXUWFJFHSA-N 397.523 1.969 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(Cl)cc3c2OCC3)n1 328617065 CJCNNPIKYXAAGF-NWDGAFQWSA-N 385.829 1.463 0 50 GDAA CNC(=O)CN1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 368839086 QUKMMHYANUQJBF-UHFFFAOYSA-N 393.285 1.824 0 50 GDAA CCc1noc([C@@]2(O)CCN(C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)n1 376626076 AXIJTEKUEOPXTE-CQSZACIVSA-N 388.350 1.818 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)CSCCN3CCCC3)CC2)cc1 77408361 SHUWKYOMLSMSOS-UHFFFAOYSA-N 391.537 1.809 0 50 GDAA Cc1cnc(C(=O)NCc2cccnc2N2CCN(c3ccccn3)CC2)cn1 14981511 DBJATRJKVLWQKR-UHFFFAOYSA-N 389.463 1.832 0 50 GDAA CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)s1 372622981 XKCTYKRLBRTXMC-GBNDHIKLSA-N 386.377 1.204 0 50 GDAA C[C@@H]1CN(Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C[C@@H](C)O1 237409553 OSYURPPIDPENJC-MBOZVWFJSA-N 375.513 1.681 0 50 GDAA CCc1nnc(CN(C)C(=O)c2cccc(N3N=C(C)[C@](O)(CC)C3=O)c2)o1 219128762 DAOKVNNROGPTLS-LJQANCHMSA-N 385.424 1.768 0 50 GDAA CC(C)C1=NO[C@H](C(=O)N2CCC3(CC2)CN(CCCN(C)C)C(=O)O3)C1 77455378 ZIPANZMKKJSYIT-INIZCTEOSA-N 380.489 1.552 0 50 GDAA CSc1ccc(-c2nc(CN3CCN(S(N)(=O)=O)CC3)c(C)o2)cc1 71776007 ZHUDAMIUIUQMLV-UHFFFAOYSA-N 382.511 1.693 0 50 GDAA Cn1cnnc1CC1CCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC1 82115445 RHPJYUNFIPQQKD-GOSISDBHSA-N 381.480 1.612 0 50 GDAA CC(=O)c1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1 82087615 NXQDDUGCKWKYQR-UHFFFAOYSA-N 376.482 1.541 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)N[C@@H]3COCC[C@H]3OC)CC2)c1 222781522 OFQLMWUNWCLHTI-QZTJIDSGSA-N 376.453 1.468 0 50 GDAA Cc1cc(C(=O)NCc2ccccc2-n2cccn2)c2c(O)nc(=O)n(C)c2n1 426440334 RSQCOFOVGWAPLH-UHFFFAOYSA-N 390.403 1.458 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)CCC1=O 92062241 ZQSKTLAXYPTUSK-HNNXBMFYSA-N 378.444 1.521 0 50 GDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2 91907520 VOQDPSLVHMQWRB-UHFFFAOYSA-N 379.420 1.986 0 50 GDAA CSc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 91794049 JIVFEBGSYKEOFU-IAGOWNOFSA-N 378.538 1.793 0 50 GDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 248080403 PDAPPZMPVIHFMQ-AJNGGQMLSA-N 387.546 1.215 0 50 GDAA biogenic CCOc1ccccc1[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)NC(C)=O 299751516 QUKTZAZVWOVHKP-GDBMZVCRSA-N 378.425 1.355 0 50 GDAA CCc1cnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc1 299772224 SMORSWCMFOENEU-LJQANCHMSA-N 387.528 1.800 0 50 GDAA O=C(c1ccccn1)N1CCC(NC[C@@H](c2ccccn2)N2CCOCC2)CC1 828184216 OWWIYBSBKSSZIZ-NRFANRHFSA-N 395.507 1.744 0 50 GDAA CN(C)CCN1CCC(NC(=O)N2CCOc3ccc(CO)cc3C2)CC1 670434354 FUKMXHBTNIWYOC-UHFFFAOYSA-N 376.501 1.109 0 50 GDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N(C)Cc3cc[nH]n3)c2)n1 408525225 PYJFWCIEKVCFFN-UHFFFAOYSA-N 386.437 1.581 0 50 GDAA Cc1cc(Cl)ccc1OCC(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1 277556553 NEFBXQKAGMQZHB-LBPRGKRZSA-N 376.844 1.701 0 50 GDAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(c2nnc3ccccn23)CC1 12322776 YSQDPYHDUJKKFC-UHFFFAOYSA-N 389.415 1.732 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1cccc(Br)c1 14534937 JJKOGRAZWNADKD-MJBXVCDLSA-N 392.253 1.153 0 50 GDAA COC(=O)c1cccc(CN2CCN(C(=O)C(=O)c3ccccc3)CCC2=O)c1 14991697 JVKADBFSCMKDQH-UHFFFAOYSA-N 394.427 1.917 0 50 GDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1cccc(F)c1 15068275 DPMIMPFNGGUYLV-UHFFFAOYSA-N 395.460 1.364 0 50 GDAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1ccncc1F 1857673255 QPHATPOAVHLJCK-RYUDHWBXSA-N 377.397 1.175 0 50 GDAA CN(C)C(=O)CN1CCOC2(CCN(C(=O)CC3CCCC3)CC2)CC1=O 1857705712 SAHNHBDZURJSIV-UHFFFAOYSA-N 379.501 1.265 0 50 GDAA CCCS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3 1857715521 VQZBIFOKAZVWTB-ZOMKSWQUSA-N 384.523 1.697 0 50 GDAA O=C(Cn1ccc2ccccc21)N[C@H]1C[C@H](C(=O)NCc2cscn2)C[C@@H]1O 1875239817 AKTCSPWYGWQGFX-ZVZYQTTQSA-N 398.488 1.670 0 50 GDAA CCN1C(=O)CC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C)[C@H]1c1ccnn1C 850836078 ISNRTEHSSSDEAF-WFASDCNBSA-N 384.502 1.212 0 50 GDAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCn2ncc(CN(C)C)c2C1 1875268974 CPOAGAXLJNJYSE-QGZVFWFLSA-N 385.468 1.254 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CCC(O)(C(C)C)CC3)C2)n1 1875397899 SIUGJBWFNOVHMY-BQIYRTECSA-N 389.544 1.951 0 50 GDAA COc1ncc(Cl)c(N2CCOC[C@H]2CNC(=O)CCc2cc(C)on2)n1 1775990489 GMUPQULJVCNEEW-CYBMUJFWSA-N 395.847 1.389 0 50 GDAA Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cnn1-c1ccc(O)nn1 1317807586 KCYGPMTVZBPSIO-JTQLQIEISA-N 380.364 1.648 0 50 GDAA O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccn(C2CCNCC2)n1 2325774767 QPVUUXIVPDVLCM-UHFFFAOYSA-N 390.451 1.952 0 50 GDAA CN(C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(F)c1)C1CCCCC1 2332237638 FOVVXODSQREZHC-HZPDHXFCSA-N 397.472 1.155 0 50 GDAA Cn1ccc(CC(=O)N2CC3(C[C@@H](NC(=O)[C@]4(C)C=CCC4)c4nccn43)C2)n1 2332238080 XYZCAFOQLUNIPR-OXQOHEQNSA-N 394.479 1.314 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c2cccc(Br)c2n1 1857797974 HEFXRNAGTGJXBD-LBPRGKRZSA-N 376.210 1.841 0 50 GDAA Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 820120 CVXIPZBGCJNGJW-UHFFFAOYSA-N 381.475 1.849 0 50 GDAA CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2136174 NSGCGYSRDAAUEZ-UHFFFAOYSA-N 379.467 1.727 0 50 GDAA COc1ccc(C(=O)N2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)c(OC)n1 2356149104 KCQFRIOOFMJEIA-IFXJQAMLSA-N 380.441 1.813 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CN2CCOc3ccccc3C2)C1 2356157450 LPPBOIFAKSYEOZ-JOCHJYFZSA-N 393.491 1.590 0 50 GDAA CC(C)[C@H](NC(=O)CN1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 245397734 QEWJVHLDWWSPPQ-KXBFYZLASA-N 375.469 1.611 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@]4(CCC(=O)N(CC5CC5)C4)C3)c(=O)n2n1 102673797 CRVOEBKJHHUZDE-NRFANRHFSA-N 397.479 1.586 0 50 GDAA O=C(CN1CCN(c2ccccc2)C(=O)C1)Nc1cc(-n2cnnn2)ccc1F 462454862 BWSDXTFGFZQQJB-UHFFFAOYSA-N 395.398 1.089 0 50 GDAA Cc1noc(C)c1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 55168076 LUOKSVXMBFRWSF-UHFFFAOYSA-N 385.873 1.972 0 50 GDAA O=C([C@@H]1CCCNCC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67675588 VGGWDQCDZUFTFJ-QGZVFWFLSA-N 383.496 1.731 0 50 GDAA COc1cc(C)c([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2nccn2C)cc1C 67604617 LKCMMUKQCCFMCN-SFHVURJKSA-N 383.452 1.990 0 50 GDAA CN(C)c1nc2c(c(N3CCC[C@@H](Cn4cc(C(=O)O)nn4)C3)n1)CCCC2 67805276 RPYBXNLYQNIUSO-CYBMUJFWSA-N 385.472 1.628 0 50 GDAA Cc1ccc(-c2nnn(CC(=O)NC3CCN(C[C@H]4CCOC4)CC3)n2)cc1 136934855 NPJDFEDHVUJFQZ-MRXNPFEDSA-N 384.484 1.266 0 50 GDAA NC(=O)CCn1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 117702826 RTHBARFCHDCEJH-INIZCTEOSA-N 383.452 1.178 0 50 GDAA CN(C)[C@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1cncn1C 280830294 STCMQTVWMNHFKL-SFHVURJKSA-N 390.532 1.646 0 50 GDAA Cn1c(=O)c2c(nc3n(Cc4ccccn4)c(-c4ccccc4)cn23)n(C)c1=O 1423640 OXNMPAXQRXUDBI-UHFFFAOYSA-N 386.415 1.797 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)N1CCCO[C@@H](Cn3cccn3)C1)C(=O)CO2 219542758 JYKULAFWWPIZGI-MRXNPFEDSA-N 384.436 1.235 0 50 GDAA Cc1ccc(C)c(OC[C@H](O)Cn2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c1C 151874458 SCQDPJDESSGKGU-WBVHZDCISA-N 392.427 1.823 0 50 GDAA Cc1nn(C)c(C)c1CN1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328606078 QITFVXKKWLWTBN-GOSISDBHSA-N 399.543 1.183 0 50 GDAA C[C@H](OCC1CC1)C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328647519 TZLVEXGKRZSZMX-BBRMVZONSA-N 377.489 1.096 0 50 GDAA NC(=O)CCNCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 12577502 SOPQTQQDEMNQGQ-HXUWFJFHSA-N 383.492 1.450 0 50 GDAA CCCn1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)c(C)n1 77287909 UISMZKKUEKZUEH-UHFFFAOYSA-N 377.489 1.590 0 50 GDAA CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCC[C@H]1O 72446924 BSSKYQTXNFZSBU-HUUCEWRRSA-N 386.539 1.911 0 50 GDAA CC[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCC(=O)N1Cc1ccccc1 71755288 MTONEGPGNCMEFI-SFHVURJKSA-N 382.464 1.591 0 50 GDAA Cc1nc2ccccn2c1CN(C)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 72130836 COSVFQZOYUMQQM-MRXNPFEDSA-N 385.512 1.838 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N4CC(O)C4)nc3c(=O)n2CC2CC2)cc1 72475720 FCVMOLLFPOKFDZ-UHFFFAOYSA-N 394.431 1.398 0 50 GDAA O=C1CC[C@H](NC(=O)NCc2ccc(-n3cccn3)cc2)[C@@H]([C@@H]2CCCO2)N1 377350913 RYLXQKNNDOCMTR-LNLFQRSKSA-N 383.452 1.498 0 50 GDAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1Cc2ccccc2C[C@H]1C 172795482 GLEORDQOPJHPRL-OAHLLOKOSA-N 396.491 1.821 0 50 GDAA CC(=O)N(C[C@H]1CCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CC1 333014526 GNZPXQLFDHCKEP-ZACQAIPSSA-N 375.469 1.164 0 50 GDAA CNC1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 237092329 MVRWZGPHVSOXDV-UHFFFAOYSA-N 375.288 1.677 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)c[nH]1 71755353 HOTNWVIZTRPQAX-GOSISDBHSA-N 388.560 1.169 0 50 GDAA Cc1ccn(CCN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 82099654 GHWYWJSNIDMJKT-IBGZPJMESA-N 389.544 1.227 0 50 GDAA O=C1NC[C@@]2(CCCN(C(=O)NCCc3nc(O)c4ccccc4n3)CC2)O1 426401965 PRKXUFBUAQEPMK-IBGZPJMESA-N 385.424 1.552 0 50 GDAA COc1cc(CN2CCNC(=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 95506235 HRNXBUBKWZALEA-KRWDZBQOSA-N 379.501 1.097 0 50 GDAA CCn1ccnc1C1CCN(C(=O)[C@@H]2Cc3ccccc3S(=O)(=O)N2)CC1 95511201 FGTMYKMUWVFWMQ-INIZCTEOSA-N 388.493 1.512 0 50 GDAA CC(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1940195320 LQSYHCNOFADZSC-AQOAWAETSA-N 396.491 1.081 0 50 GDAA Cc1cc(NC(=O)c2n[nH]c(-n3cnnc3)n2)n(Cc2ccc(Cl)cc2)n1 1940195814 OLKLTVSDIDXLDD-UHFFFAOYSA-N 383.803 1.844 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1ccc2ncccc2c1 1940197829 VEGRHJARLGFBDQ-WDSOQIARSA-N 393.447 1.117 0 50 GDAA O=C(CCN1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccccc1Cl 299774972 JJPGLQCZUGPIPD-DLBZAZTESA-N 375.860 1.784 0 50 GDAA CN(C)c1nc2c(c(N3CCC(CNC(=O)[C@H]4CCCO4)CC3)n1)CCCC2 828124099 LYUHSMFCHJZZSV-GOSISDBHSA-N 387.528 1.933 0 50 GDAA CCNc1nc(C)c(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)s1 759219005 XEZIZGWBUJUCMI-UHFFFAOYSA-N 386.485 1.592 0 50 GDAA CCn1ccc(CN2CCC(CNC(=O)[C@@H]3CCCCN3C(=O)OC)CC2)n1 952980602 REVOBUUYTAUVQK-SFHVURJKSA-N 391.516 1.852 0 50 GDAA O=C(O)[C@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)C[C@H]1CCCCO1 274914762 LMQIFJQDAOFJMR-CJNGLKHVSA-N 384.429 1.791 0 50 GDAA COCc1noc([C@@H](C)N2CCC[C@H](c3[nH]ncc3CN3CCOCC3)C2)n1 275948423 LVGVWGRUSSZIOM-CABCVRRESA-N 390.488 1.712 0 50 GDAA COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(CC2CCC2)[C@H](C)CO)c1 170619782 WWRRRPBILFXMHA-GFCCVEGCSA-N 399.465 1.431 0 50 GDAA C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(CC4CC4)CC3)cn2)CCO1 193679645 WMDUXDSFJXVDAC-INIZCTEOSA-N 387.528 1.980 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCc2nc(C3CCCCC3)no2)cc1 1506419739 WELFTIGOFPZFGT-UHFFFAOYSA-N 378.454 1.955 0 50 GDAA CN(c1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1)S(C)(=O)=O 1704350204 GJXKYFIACYETJW-SJLPKXTDSA-N 389.477 1.465 0 50 GDAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)s1 12299327 SFJLIODZZGZSQW-INIZCTEOSA-N 391.537 1.966 0 50 GDAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 12382388 YWZXWPBUUWSHCU-GOSISDBHSA-N 380.510 1.897 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 12587780 DCLKNVGLBDTUOB-ZDUSSCGKSA-N 382.873 1.759 0 50 GDAA Cc1nnsc1C(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 14948970 QXMBPDLYGDIJAS-HNNXBMFYSA-N 394.522 1.818 0 50 GDAA CCc1c(O)nc(SCC(=O)N2CCOCC2)n(-c2ccccc2C)c1=O 16662310 PUUKUMSYOIPSTC-UHFFFAOYSA-N 389.477 1.760 0 50 GDAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc(I)cc1 17729035 YDQVSSVVJKWWBT-LBPRGKRZSA-N 386.189 1.255 0 50 GDAA Cc1ccccc1OCC(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3CC(N)=O)C1 1857673392 ROBXEFHPVFWTND-LFUKPOHLSA-N 387.480 1.084 0 50 GDAA CN1C(=O)NCC12CN(Cc1ccccc1OCCCCN1CCOCC1)C2 1857680705 MVLROEXIFNPGER-UHFFFAOYSA-N 388.512 1.387 0 50 GDAA CS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)nc1 1857697792 MSMSKRAEQSXXCL-LJQANCHMSA-N 387.461 1.739 0 50 GDAA CCc1cc(CN2CCOC3(CCN(Cc4cncn4C)CC3)CC2=O)on1 1857704769 FLDVNBFWZFCCHX-UHFFFAOYSA-N 387.484 1.754 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)N(Cc3ccccn3)C3CC3)CC2=O)s1 1857714831 NXRDILRMFAQMHT-LBPRGKRZSA-N 387.465 1.624 0 50 GDAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)[C@H]4CC[C@]3(C2)O4)n1 1857722122 OXWYKCMIDQXHMZ-QCBUCWTNSA-N 381.436 1.294 0 50 GDAA Cn1ccnc1-c1ccc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)nn1 1857734790 RQGNWGNTFJKCJD-RXVVDRJESA-N 397.454 1.809 0 50 GDAA N=c1nc(-c2ccccc2)c(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c[nH]1 1857736822 YBVBPYUQKFITIU-AEFFLSMTSA-N 375.432 1.627 0 50 GDAA OC[C@H]1CCN(Cc2ccccc2OCCCCN2CCOCC2)C[C@H]1O 1875245077 JFSYRWJLADPCGI-WOJBJXKFSA-N 378.513 1.353 0 50 GDAA O=S(=O)(NC[C@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@]23CC[C@H]1O3)C1CC1 1875249522 YTEHRJJKKUPFAD-WJFTUGDTSA-N 380.485 1.887 0 50 GDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 100492390 CEIJFEGBUDEYSX-XSLAGTTESA-N 383.496 1.410 0 50 GDAA COc1cccc(CN2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c1 328603121 DWJVHRJLFYBXNP-MJGOQNOKSA-N 384.480 1.660 0 50 GDAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)C1=O 12003977 MQUAGFRGHBRSGA-NSHDSACASA-N 387.417 1.350 0 50 GDAA Cc1nc(CC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)Cc4cccnc4)C3)C2)n[nH]1 1875322494 VEFVKXQPJKWQDK-ROUUACIJSA-N 396.495 1.380 0 50 GDAA CN1CCC(CNC(=O)N2CCC(O)(C3CC3)CC2)(N2CCCCC2)CC1 888101623 JGKXCVZTWKJRGR-UHFFFAOYSA-N 378.561 1.883 0 50 GDAA COc1cccn2ncc(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)n3cccn3)c12 1775992927 VFNSZVCMEMGRNT-UONOGXRCSA-N 384.440 1.425 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2(Cn3ccnc3C)CC2)OCC(=O)N1C 2100483702 LWPIUIUFAOMTGM-UXHICEINSA-N 396.491 1.995 0 50 GDAA CN(Cc1nn(C)cc1Br)C(=O)C[C@H]1COC2(CCNCC2)C1 2325778488 AJUPKUDJENERLA-GFCCVEGCSA-N 385.306 1.690 0 50 GDAA O=C(C[C@H]1CN(C(=O)[C@H]2CCCO2)C2(CCC2)CO1)NCc1ncccc1F 2325785283 OEKBFNUYVIHXOF-WMLDXEAASA-N 391.443 1.556 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H]1CN1C(=O)CCN(C[C@@H]2CC23CCC3)C1=O 2325793328 QAKJLOFAXKRBMD-LSDHHAIUSA-N 383.514 1.645 0 50 GDAA CCn1ncc(C(=O)NC2(CCOC)CCN(C(=O)[C@@H](C)C3CCC3)CC2)n1 2325793632 BBRSWIVIDRWLBI-HNNXBMFYSA-N 391.516 1.862 0 50 GDAA Cn1cc(C(=O)NCC2CCN(C(=O)c3cc4c(ncn4C)s3)CC2)cn1 2325796311 IFJUMWZGKPTVKA-UHFFFAOYSA-N 386.481 1.651 0 50 GDAA CC(C)(C)[C@H](C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)N1CCCC1=O 2325813196 VJCPEAMMGJRILC-SIKLNZKXSA-N 387.524 1.777 0 50 GDAA COc1cc(C(=O)N[C@@H](C)C(=O)Nc2cnc(C)n2C)cc(OC)c1OC 2325854055 MHGWMPQIMDYCRC-JTQLQIEISA-N 376.413 1.511 0 50 GDAA COCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 4731761 NJVBCMCCCHREBG-GFCCVEGCSA-N 378.429 1.853 0 50 GDAA CC(C)OCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 55243393 HOXGPLYUPJGGBH-INIZCTEOSA-N 385.867 1.711 0 50 GDAA NC(=O)c1cccc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 115157237 JIDJAHIGOCDRQJ-HXUWFJFHSA-N 381.476 1.961 0 50 GDAA CCn1c(CC2CCNCC2)nn(CS(=O)(=O)c2ccc(C)cc2)c1=O 65497946 VPFYRYXETNJQAZ-UHFFFAOYSA-N 378.498 1.347 0 50 GDAA Cc1nn(-c2cccc(C(=O)N3CCN(C)C(=O)C3)c2)c(=O)c2ccccc12 20600232 MRIQRQCZQPHGPL-UHFFFAOYSA-N 376.416 1.608 0 50 GDAA CN(Cc1ncc[nH]1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67955091 QHXNIHXNVKLZFV-UHFFFAOYSA-N 394.479 1.988 0 50 GDAA COCCn1c(CN2CCN(C)[C@H](C)C2)cnc1S(=O)(=O)CC(C)(C)C 22851541 DKWUMIRHPFKFNW-OAHLLOKOSA-N 386.562 1.485 0 50 GDAA Cn1cc(CCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)cn1 12056777 VEQPSLIVXULLRO-CQSZACIVSA-N 396.538 1.631 0 50 GDAA Cn1ncc2c(N3CCC(N4CCC[C@@H](O)C4)CC3)nc(-c3ccncc3)nc21 72157570 UUEUOSVUFWZNFI-QGZVFWFLSA-N 393.495 1.851 0 50 GDAA COc1cccc(CS(=O)(=O)N2CCn3c(nnc3-c3cnn(C)c3)C2)c1 365486782 VBEALKLWRKGIEH-UHFFFAOYSA-N 388.453 1.033 0 50 GDAA COC(=O)c1oc(CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1C 368024659 ZNYRPDKDUBSBDN-CQSZACIVSA-N 387.396 1.732 0 50 GDAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(CC(N)=O)CC2 14748411 YTSJSORIWDIALX-UHFFFAOYSA-N 386.452 1.155 0 50 GDAA O=C(CCc1ccccc1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72432061 WHQFGITYPMNINP-UXHICEINSA-N 399.516 1.524 0 50 GDAA O=C(O)c1ccn(-c2cccc(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c2)n1 262493983 ZVMPHXHSMRCLHF-INIZCTEOSA-N 396.447 1.835 0 50 GDAA COCCCN(C(=O)Nc1c[nH]nc1-c1nccs1)[C@@H]1CCS(=O)(=O)C1 446390407 IKGITQZIBMSDLD-LLVKDONJSA-N 399.498 1.591 0 50 GDAA CCOc1cccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c1 221320225 YMCDTGJNVKIOKE-GOSISDBHSA-N 379.482 1.376 0 50 GDAA Cc1ccc(N2CCC[C@H](N3CCC(CNS(C)(=O)=O)CC3)C2=O)cc1 285393525 HQYDQQTWOLJCDM-SFHVURJKSA-N 379.526 1.752 0 50 GDAA COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1NS(C)(=O)=O 241515770 OHVSGJXGBBTUKZ-FCIDVOKBSA-N 380.422 1.528 0 50 GDAA CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 241634627 PNXAACRUNDSPGE-CYBMUJFWSA-N 386.456 1.887 0 50 GDAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ncc(CCO)cn2n1)CC3 426580976 PIEPKDACYVLDBE-UHFFFAOYSA-N 391.431 1.953 0 50 GDAA COc1ccc(-c2ccc(C(=O)NCCN3CCNCC3)cc2)cc1C(N)=O 426711274 JEZJGIVJTYSCHA-UHFFFAOYSA-N 382.464 1.096 0 50 GDAA CN(C)[C@@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 426434803 DXOLICRLVVNSHT-QGZVFWFLSA-N 380.408 1.515 0 50 GDAA C[C@H](C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2)N1CCCCCC1 82099428 ZUOULXICOARGJP-OAHLLOKOSA-N 376.505 1.261 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2ccccc2)CC1 20781186 NXAHOYHMMXLFKQ-LJQANCHMSA-N 386.540 1.962 0 50 GDAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1cnc(COc2ccc(F)cc2)nc1O 91943985 ZLDSIHNESBOZGI-ZDUSSCGKSA-N 383.383 1.911 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(=O)c3ccccc3o1)C2 95366987 OICLXNDYKRCDLI-QWHCGFSZSA-N 376.434 1.289 0 50 GDAA COc1c[nH]c(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)cc1=O 96161784 JMBFYPOZNKVBHU-XOBRGWDASA-N 375.469 1.535 0 50 GDAA CN1CCC(CN2CCN(C(=O)[C@H](c3ccc(F)cc3)N(C)C)CC2)CC1 95360492 DBFYBSBPTWRAGY-FQEVSTJZSA-N 376.520 1.914 0 50 GDAA Nc1nc2c(c(C(=O)N3CC[C@]4(CCCN(CC5CC5)C4=O)C3)n1)CCCC2 91547343 RHWIJKPIDRTBHY-OAQYLSRUSA-N 383.496 1.802 0 50 GDAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cccc(-n2cnnc2)c1 91847236 XBNOMFNJZPBBKC-LJQANCHMSA-N 378.436 1.466 0 50 GDAA COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc(C(=O)OC)c1 96132439 ZJOQBQARDIPEEM-JKSUJKDBSA-N 375.425 1.960 0 50 GDAA CN1CCC(O)(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 91966529 YVCIDEQVZSJSPA-INIZCTEOSA-N 393.915 1.652 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2 95529391 KDHVTXCPRZWGCI-SFHVURJKSA-N 382.464 1.756 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nccn4CC(N)=O)C3)n[nH]2)o1 95524080 QDAUBJRVZUNZFL-CYBMUJFWSA-N 382.424 1.680 0 50 GDAA O=C(CCC(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nnc2n1CCCC2 1940196958 HSABSLOSAJARGT-RYUDHWBXSA-N 385.390 1.772 0 50 GDAA Cc1sc2nc(CCNC(=O)NC[C@@H]3CCS(=O)(=O)C3)nc(O)c2c1C 828023220 XAMRZLKCQTXLDH-NSHDSACASA-N 398.510 1.290 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(CC(C)C)no2)o1 821483415 WDTKTXVVOULJSG-SFHVURJKSA-N 388.468 1.781 0 50 GDAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)NCc3nc(O)n[nH]3)O2)CC1 584889590 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DEHKGMUITHFHHP-MRXNPFEDSA-N 375.473 1.319 0 50 GDAA Cc1ccc(C(=O)N2CCCN(Cc3nc(C(F)(F)F)no3)CC2)c(=O)n1C 1529189492 OTPLPOJNDCBLIA-UHFFFAOYSA-N 399.373 1.444 0 50 GDAA COc1ccccc1C(=O)N1CCCN(C(=O)Cc2c(C)nc(C)nc2O)CC1 1529126070 VBFOICZFSDDXQD-UHFFFAOYSA-N 398.463 1.725 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2C[C@H](O)[C@@H](OC)C2)cc1 1704303375 HZGFMZZLRBPGHW-HOTGVXAUSA-N 387.436 1.782 0 50 GDAA NCC[C@@H]1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCO1 1704336460 JJJCMCVIYGODOH-MRXNPFEDSA-N 386.452 1.368 0 50 GDAA O=C(C1CCOCC1)N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 1775983982 FPJYJGILSMYHAY-UHFFFAOYSA-N 384.473 1.616 0 50 GDAA CCCCS(=O)(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11698045 UNFUEDPOZIOFAB-UHFFFAOYSA-N 376.486 1.867 0 50 GDAA CC[C@H](C)C(=O)C(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11840727 IGIGDWUXNBXTKY-DOTOQJQBSA-N 387.480 1.967 0 50 GDAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCCC2)nn1 12328579 NAUMGTKBCZSJDS-CYBMUJFWSA-N 391.859 1.751 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2=O)c1 12440158 TUMFRAUPWFHGOK-SFHVURJKSA-N 399.488 1.455 0 50 GDAA CCOC(=O)CNC(=O)N1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 12584439 VVNDANNOJFKRDR-AWEZNQCLSA-N 386.452 1.882 0 50 GDAA NCCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C1=O 14536517 FCAVMQFAVWFYKZ-RBUKOAKNSA-N 394.475 1.120 0 50 GDAA COC(=O)C1CCN(C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CC1 15079394 AVYDHIWCYPSTPB-HXUWFJFHSA-N 378.444 1.564 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 1857670887 HPGZLZVPXXALRT-HXUWFJFHSA-N 387.436 1.216 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857714222 NJWAJNUXSSCHES-INIZCTEOSA-N 390.509 1.833 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3)c1cn2ccccc2n1 1857715309 LXNUFOJPPYEJFD-GYQJYAJYSA-N 390.447 1.538 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3(C)CC3)[C@H]2c2cnn(C)c2)CC1 1857724680 MVMXEVMEEAAZRD-ROUUACIJSA-N 375.517 1.126 0 50 GDAA COc1ccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1OC 1857735135 JNXXWUOVECAFRE-KREFBHGWSA-N 383.444 1.913 0 50 GDAA Cc1nc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 12420519 HUMBREJNNVDYOP-CQSZACIVSA-N 391.497 1.379 0 50 GDAA O=C(C1CCS(=O)(=O)CC1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccn1)C2 247809117 DEXWRNXLSOCRIY-YJBOKZPZSA-N 377.510 1.329 0 50 GDAA O=C(NCCNC(=O)[C@H]1CC(=O)N(c2nccs2)C1)c1ccc(F)cc1 369967512 PWSBWFFPZRCZCG-LBPRGKRZSA-N 376.413 1.181 0 50 GDAA C=CC(=O)N1CCC(C(=O)N(C)CCS(C)(=O)=O)(c2ccccc2)CC1 847434212 XGAJFNNVQRVVLV-UHFFFAOYSA-N 378.494 1.236 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CNCCc2cccc(OC(F)(F)F)c2)ncn1 1875398119 BVVYOGOUJOLOEC-ZIAGYGMSSA-N 397.401 1.729 0 50 GDAA CN(Cc1cccc(C(N)=O)c1)C(=O)c1nc2n(c1Br)CCNC2 1875315802 IFGQYJHCNJFJTD-UHFFFAOYSA-N 392.257 1.120 0 50 GDAA Cc1cnc(N2CCC(N3C(=O)N[C@@H]4CN(C(=O)C5CC5)CC[C@H]43)CC2)nc1 888103318 CLYLEBUVWKUCDN-IAGOWNOFSA-N 384.484 1.159 0 50 GDAA O=C1CO[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2Cl)N1 2100543296 OVJMOYCZJBUMDG-MSOLQXFVSA-N 388.807 1.941 0 50 GDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCO[C@H](c2nnn(C)n2)C1 2100555577 XSRTWUUYUAGBTP-HNNXBMFYSA-N 395.485 1.413 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCO[C@@H](c4nnn(C)n4)C3)ncnc21 2100556790 HRCASUSMBITEKX-OAHLLOKOSA-N 399.503 1.926 0 50 GDAA CC(C)NC(=O)Cn1cc(NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)cn1 2325854235 TYDJZFWMJJFAJC-INIZCTEOSA-N 382.428 1.437 0 50 GDAA Cc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1C 2883794 QVQWKWOFPPFJLS-AWEZNQCLSA-N 381.498 1.182 0 50 GDAA CCOc1ccccc1C(=O)N1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 111202661 QIWNOHNBKVGSCA-GOSISDBHSA-N 397.479 1.382 0 50 GDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)s1)CC2 20910954 NVYPGOLTQYKQNJ-CQSZACIVSA-N 377.514 1.920 0 50 GDAA O=C1NC(c2ccccc2)=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F 20069788 IQWGQXDBNMOLSF-OAHLLOKOSA-N 383.351 1.800 0 50 GDAA COc1ccc(OCc2cc(C(=O)NCC(=O)NC3CC3)n[nH]2)c(Cl)c1 67804550 CTZJIIPOYQYWAU-UHFFFAOYSA-N 378.816 1.659 0 50 GDAA O=C(c1ccc(CO)o1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67855151 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CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)C1 262507779 JKDURHKGYYJWOF-ZBFHGGJFSA-N 395.500 1.053 0 50 GDAA Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCO2)c1 446270834 UOCNZLAOZWMRJY-KRWDZBQOSA-N 386.456 1.356 0 50 GDAA COc1cccc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)c1 72447760 JHMQTQYHCCKTDV-CQSZACIVSA-N 376.482 1.968 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 72125276 OOGRNTVYWDPWAJ-IBGZPJMESA-N 383.496 1.882 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@@H]1CCOC2(CCOCC2)C1 82127140 QSKNSVQUJIPWLV-CYBMUJFWSA-N 381.454 1.846 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1COc3ccccc31)C2 285501442 RUCVDPBFMIHARW-MRXNPFEDSA-N 387.461 1.796 0 50 GDAA CCN(Cc1nc(COC)no1)C(=O)N[C@H](C)c1nc(-c2ccccn2)no1 426510283 OAWHCGQPHYOGHQ-LLVKDONJSA-N 387.400 1.954 0 50 GDAA CC(C)c1cnc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)nc1 426465528 XJFNHPPYLFFQHU-MRXNPFEDSA-N 385.516 1.945 0 50 GDAA COc1ccc([C@@H]2CN(c3nnnn3-c3ccccc3)C[C@H]2NC(C)=O)cc1 91845992 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ICFCNSJQSAPMQN-STQMWFEESA-N 375.429 1.295 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)n(C)n1 277982308 NSWAJSQXQPLWIM-DLBZAZTESA-N 383.500 1.670 0 50 GDAA CC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 170603622 PFJFAVJFGMMDCU-UHFFFAOYSA-N 378.454 1.907 0 50 GDAA C[C@@H](C(=O)N1CCC(c2nc(N(C)C)no2)CC1)n1nnc(-c2ccccc2)n1 186777112 XAPIBMRWRAMTSO-ZDUSSCGKSA-N 396.455 1.756 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)Cc1cccc3cccnc13)C2 189209994 NUJKEHZTPJGJQW-UHFFFAOYSA-N 384.461 1.700 0 50 GDAA Cc1ccc(NC(=O)CN2CCC(CNC(=O)[C@H]3CCC(=O)N3)CC2)cc1C 1506422389 OONKEGACNUMULS-GOSISDBHSA-N 386.496 1.349 0 50 GDAA COc1cc(CC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc(OC)c1OC 1529090310 GFMMWXDTQKFYOT-QLFBSQMISA-N 376.453 1.628 0 50 GDAA O=C(c1cnn[nH]1)N1C[C@H]2COC[C@@H](C1)CN2Cc1cc2ccccc2s1 1704313655 LRPBIPHDOIBUMD-HIFRSBDPSA-N 383.477 1.992 0 50 GDAA CN(C)C[C@@]12CN(C(=O)c3cccc(O)c3)C[C@@H]1CN(C(=O)C1CC=CC1)C2 1772700881 FOERJTKQBCEXEQ-PGRDOPGGSA-N 383.492 1.821 0 50 GDAA COc1ncccc1C(=O)N1CCCN(CC[C@H]2CCS(=O)(=O)C2)CC1 1772708760 KIKQPKGGOZDZQF-HNNXBMFYSA-N 381.498 1.063 0 50 GDAA Cc1ccn(CCC(=O)N2CCC[C@@]3(C(=O)NC4CCC4)CCN(C)C[C@H]23)n1 1775978371 SCTBEJQEIHMPOR-GHTZIAJQSA-N 387.528 1.563 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@H]12 14749795 UIJPPFBUYLFPHW-ZWKOTPCHSA-N 378.432 1.472 0 50 GDAA O=C(CCCn1cccn1)N1CCC[C@]2(C1)CN(c1ncccn1)CC[C@H]2O 1857703025 FNUXQNFECSELET-XLIONFOSSA-N 384.484 1.333 0 50 GDAA N=c1nc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c2c([nH]1)CCCC2 1857709843 URPZVCXUXACFEN-OALUTQOASA-N 393.491 1.774 0 50 GDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CC[C@H](O)[C@H](CO)C1 1857718646 YNHYTSWAFDNRQF-LPHOPBHVSA-N 393.443 1.265 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)[C@H]1c1cnn(C)c1 1857721077 YHHSZCZECRFNSP-OALUTQOASA-N 394.479 1.954 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)NCCc1noc(C(F)(F)F)n1 1857724249 RMNFTNNJOBBCBC-UHFFFAOYSA-N 391.375 1.662 0 50 GDAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C[C@@H](O)COC1CCOCC1 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Cc1noc(C)c1S(=O)(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 2356159748 OZKUQVAOCQXHSN-GOSISDBHSA-N 391.497 1.816 0 50 GDAA COCCn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233480 VIRZDLWYCSUWBG-AWEZNQCLSA-N 381.436 1.714 0 50 GDAA Cc1nn(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1-c1ccccc1 225522937 PVYKWHUAZMIJGD-FQEVSTJZSA-N 395.507 1.799 0 50 GDAA COC[C@]1(C)CCN(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)C1 414328456 OBLASKRJBFLWEP-OAHLLOKOSA-N 377.846 1.851 0 50 GDAA NC(=O)c1ccn(-c2ccccc2NC(=O)CNC(=O)Cc2ccccc2)n1 114144540 PHXOYNDOUDVPHI-UHFFFAOYSA-N 377.404 1.269 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCc3cn4ccccc4n3)C2=O)c1 67966474 YBXZHIRWWFUHCL-QFIPXVFZSA-N 394.475 1.986 0 50 GDAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)cc1 67881180 NQACKCVPDBPWPT-HNNXBMFYSA-N 376.482 1.640 0 50 GDAA C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NCCN1CCOCC1 20639369 CZDGADNEBISPLX-NEFAXPCMSA-N 377.529 1.546 0 50 GDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 20500749 HRSAVYQCJRXBDB-QGZVFWFLSA-N 375.425 1.199 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)Nc1ncn(Cc2c(F)cccc2Cl)n1 2804603 QUIMRFLDBXPWBQ-UHFFFAOYSA-N 384.824 1.962 0 50 GDAA CN(C)S(=O)(=O)c1cccc(CN2CCC(N3CCCCC3=O)CC2)c1 120355527 PKAOJJNYSAHBNB-UHFFFAOYSA-N 379.526 1.914 0 50 GDAA O=C(CCN1CCC(N2CCCC2=O)CC1)Nc1ccccc1C(=O)NC1CC1 171626536 KAMHNSASZDGISK-UHFFFAOYSA-N 398.507 1.994 0 50 GDAA CC(=O)NCCNC(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71715243 ZCEQKECWPQJGAN-JOCHJYFZSA-N 379.460 1.786 0 50 GDAA Cn1cc(CN(Cc2csc3ccccc23)[C@H]2CCNC2)c(=O)n(C)c1=O 328628444 HGUMUCKDRKMQLC-INIZCTEOSA-N 384.505 1.663 0 50 GDAA CN(CC(=O)O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 328642469 RBMCCWYCNDKUOX-CYBMUJFWSA-N 393.871 1.700 0 50 GDAA CN(C)CCN1Cc2c(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cccc2C1=O 72424432 JXVHWUZGENMMGX-VQTJNVASSA-N 379.460 1.592 0 50 GDAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(Cl)s1)C2 218915228 OJMSJWGFIZRUKN-CYBMUJFWSA-N 375.903 1.692 0 50 GDAA O=S(=O)(c1cnn(CC(F)F)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367136549 ASZGWYGGCMRDOC-ZBFHGGJFSA-N 385.436 1.935 0 50 GDAA O=C(c1cscn1)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77470333 AQGFCTKVTGNEAR-UHFFFAOYSA-N 393.490 1.363 0 50 GDAA C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(CC2CCOCC2)CC1 172427048 ZJMREKGPXROENK-ZDUSSCGKSA-N 380.514 1.218 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c1 215506922 GUSVVLJPTFAQQR-QGZVFWFLSA-N 381.454 1.042 0 50 GDAA O=C(N[C@H]1CCc2n[nH]cc2C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 377435907 UXEUELXNDUVOMS-HNNXBMFYSA-N 389.477 1.406 0 50 GDAA Cc1ncc(C)c(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71747872 KWQFOPKILMKQLZ-GOSISDBHSA-N 387.528 1.633 0 50 GDAA CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1 223755799 KBLHMCHUVHJZQN-HZPDHXFCSA-N 376.906 1.495 0 50 GDAA CN(C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2)c1ccccc1 82139315 STNGSLKUSUOBSI-UHFFFAOYSA-N 377.470 1.394 0 50 GDAA Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 426719792 CYRAYNQVVMJYBC-INIZCTEOSA-N 386.500 1.964 0 50 GDAA O=C1CCCN1CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95387166 FTFCBWSGXOOKGV-VLCRHTCISA-N 383.492 1.793 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@]2(C(=O)O)C1 96150234 MXYQYDQNEVTAGB-YJBOKZPZSA-N 377.466 1.336 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)COCc3ccccc3)C[C@H]2CCCO)CC1 91644517 VPMAFHVAPWTGFC-RTWAWAEBSA-N 389.540 1.440 0 50 GDAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(-n2cnnn2)ccc1F 97823447 SPMRZVFJONBKNI-AWEZNQCLSA-N 377.424 1.376 0 50 GDAA CCc1cc(N2CCC(NCc3ncc(C)[nH]3)CC2)nc(N2CCOCC2)n1 95509097 JGNXNQJTNVCLCG-UHFFFAOYSA-N 385.516 1.666 0 50 GDAA COc1ccc2nc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)c(C)nc2c1 293133237 RWKYELYGGWKGIJ-CQSZACIVSA-N 376.482 1.951 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccc1)C2 95390174 OHQIENCYNGMQFH-LSDHHAIUSA-N 383.539 1.508 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(CCN4CCCC4=O)C3)CCC2=O)cn1 91587312 NLIXJIJFMATIRK-OAQYLSRUSA-N 385.512 1.612 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCO[C@H](CO)C1 267622865 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394.951 1.734 0 50 GDAA CCOc1nc(C)ccc1C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 332606076 JJRPKCBPYCBIEF-UHFFFAOYSA-N 396.494 1.815 0 50 GDAA C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CCN2CCCOCC2)CC1 376141441 OSRQHWVKZXLWCZ-KRWDZBQOSA-N 395.931 1.974 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3ccc(O)nn3)C1)CC2 1704312906 DTIKRPCURFHZFY-FQEVSTJZSA-N 382.468 1.477 0 50 GDAA CCCCCCn1cc(S(=O)(=O)N[C@@H](C)c2nccn2C)c(O)nc1=O 851856701 ZGJPASQNELIBLO-LBPRGKRZSA-N 383.474 1.302 0 50 GDAA O=C(O)CS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1 852732868 JCEBWPXXOUCUCY-UHFFFAOYSA-N 381.281 1.615 0 50 GDAA O=C(N[C@@H](CCc1cn(Cc2cccs2)nn1)C(=O)O)c1cncs1 1875324640 GTFPEHLXTTXSEV-LBPRGKRZSA-N 377.451 1.660 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1Nc1cncc(-n2ccnc2C)n1 1875399408 BLMYKCNRFVANNQ-LSDHHAIUSA-N 395.471 1.142 0 50 GDAA O=C(CCc1nncn1-c1ccccc1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875403473 UTUKBKVPWUFLAR-CGTJXYLNSA-N 380.452 1.352 0 50 GDAA CCS(=O)(=O)N[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)CC[C@H]1OC 2100542867 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Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)CN3CCNC(=O)C3)CC2)c1 67787397 UYGNDXRERSZUCM-UHFFFAOYSA-N 381.480 1.523 0 50 GDAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCCN3CCNCC3)C2=O)cc1 67856560 CKFVIPOJAANTFC-JOCHJYFZSA-N 388.556 1.158 0 50 GDAA CN1CCN(C(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)CC1 65365879 YYEBKFMHRHLIGJ-UHFFFAOYSA-N 379.404 1.245 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCC(CO)CC3)C2=O)c1 67692656 UAWLJSNTQVKGOP-FQEVSTJZSA-N 380.460 1.392 0 50 GDAA Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2nn(C)c3c2CNCC3)C1 34928771 UNQSYWFDBNXLQR-HNNXBMFYSA-N 381.480 1.865 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3ccc(F)c(C)c3)nn2)CN1 67459259 BUJUXPLDZUCMIS-HIFRSBDPSA-N 388.447 1.040 0 50 GDAA C[C@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C[C@@H](C)O1 229498206 JAAKWACYELTHAP-XHSDSOJGSA-N 377.485 1.632 0 50 GDAA COc1cccc(SCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c1 219520462 OHQDCPOCKCVMOG-KRWDZBQOSA-N 377.466 1.442 0 50 GDAA CN(Cc1ccccc1)C[C@H](O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 229767294 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Nc1nc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c2nc[nH]c2n1 95528451 MPPUSSMEBLTKOV-AWEZNQCLSA-N 375.440 1.959 0 50 GDAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1cccs1 239174068 PFDVRSTVNZKSGL-OIXHTRDQSA-N 385.441 1.917 0 50 GDAA CCc1ccccc1N1CCN(C(=O)[C@H]2CCC(=O)N(CCN(C)C)C2)CC1 91304389 KEGYCHMNUVGDGJ-IBGZPJMESA-N 386.540 1.698 0 50 GDAA COc1coc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)cc1=O 95391487 NFUYVNWOQKADTP-FOIQADDNSA-N 391.468 1.123 0 50 GDAA CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)CC1 248085045 RGPVJNHIMSQFEG-KPLDXPABSA-N 383.533 1.898 0 50 GDAA biogenic Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(=O)O)c1 299753253 XMBOPOITMUIDSC-HZPDHXFCSA-N 382.482 1.026 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cccn3)OCC(=O)N2C2CC2)cc1 1940195207 OQWDTCFBEYDISN-MOPGFXCFSA-N 384.436 1.139 0 50 GDAA OCCOc1ccccc1CN1CCC2(CC1)CN(c1ncccn1)CCO2 828770138 OFRLKZXEWCLQSW-UHFFFAOYSA-N 384.480 1.719 0 50 GDAA O=C(NCCc1nc(C2CC2)no1)N1CCN(C(=O)c2cccs2)CC1 584885177 RVPDAVOEELDQPC-UHFFFAOYSA-N 375.454 1.719 0 50 GDAA COc1cc(NC(=O)c2cn(CC[C@H]3CCCCN3)nn2)cc(-n2cnnn2)c1 952977477 QFRZNIXEEGAJFF-CYBMUJFWSA-N 397.443 1.047 0 50 GDAA COc1ccc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)c(O)c1 1565511963 AJMRQKDLJYSICG-RDJZCZTQSA-N 377.466 1.531 0 50 GDAA COc1ccc([C@@H](C(=O)O)N2CCN(C)C3(CCN(C)CC3)C2)cc1OC 1506417394 JIILZWORODJKJP-SFHVURJKSA-N 377.485 1.541 0 50 GDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N(C[C@H]3CCC(=O)N3)C(C)C)o2)c1C 1506421403 HVXDIHHWRMAKJA-CYBMUJFWSA-N 380.470 1.964 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 1704337871 GKJMAOWAWRKPMG-GWCFXTLKSA-N 381.281 1.630 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]2O)n[nH]1 1704350289 HYBDHJAPRYUSEZ-CZUORRHYSA-N 391.855 1.747 0 50 GDAA Nc1cc(C(=O)NCc2cccnc2N2CCN(c3ccccn3)CC2)ccn1 12704556 QTOIZSCGOMYAIQ-UHFFFAOYSA-N 389.463 1.710 0 50 GDAA CCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 13816787 BKIJPSCBGNWDBO-UHFFFAOYSA-N 396.495 1.166 0 50 GDAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 14745137 JSKVVRWHWPFZQO-UHFFFAOYSA-N 385.468 1.448 0 50 GDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCC2)cc(OC)c1 14966233 FRNZICNFGGEMFG-GOSISDBHSA-N 375.469 1.453 0 50 GDAA CCn1nc(C)c(CNC(=O)[C@H]2CC(=O)N(c3nnc(COC)s3)C2)c1C 1857668461 GQNMIYPANSNTTL-LBPRGKRZSA-N 392.485 1.187 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c(O)n1 1857673937 UFTUOZJWZXUMLD-OAQYLSRUSA-N 396.447 1.617 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCN1c1ccc(F)cn1 1857676639 VYRWHVVKSMZJQA-HNNXBMFYSA-N 385.443 1.803 0 50 GDAA Cc1nc[nH]c1CN1CCC[C@@]2(C(=O)NCc3cccnc3)CCN(C)C[C@H]12 1857682922 RGCORBRXPZYLNZ-PZJWPPBQSA-N 382.512 1.716 0 50 GDAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC12CCOCC2 1857685616 ZXKFQPFEZUCWSV-LLVKDONJSA-N 377.821 1.981 0 50 GDAA CS(=O)(=O)CCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857695437 JQHKKNYPNBXTBD-IAGOWNOFSA-N 381.494 1.695 0 50 GDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CC(=O)N21 1857720823 LZNHIDYXVVLUBX-ZQIUZPCESA-N 398.463 1.506 0 50 GDAA COc1c(C)cc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc1C 1857734579 VPHSOKLGQJSBJM-BQFCYCMXSA-N 380.510 1.842 0 50 GDAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c3cscn3)C1)C2 1875242974 KBRWSKREMOLRHM-XGWLTEMNSA-N 386.477 1.648 0 50 GDAA CC(C)N1CCC(O)(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 472435386 GJSRJRCXCFPZMK-IBGZPJMESA-N 393.503 1.551 0 50 GDAA COc1ccccc1OC[C@@H](O)COC[C@H](O)COc1ccccc1OC 257354827 AFKSAYSHFVIMCI-HOTGVXAUSA-N 378.421 1.900 0 50 GDAA in-vitro COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc(NC(N)=O)c3)C2=O)c1 267122806 KBTAPBFKFYBNTF-KRWDZBQOSA-N 398.419 1.730 0 50 GDAA O=S1(=O)CCNC[C@H]1Cc1nc(-c2ccccc2OC(F)(F)F)no1 904538430 OWFOKIMYWFYGOU-SECBINFHSA-N 377.344 1.564 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CC[C@H](O)[C@@H](C(=O)O)C3)c2)on1 1704297182 JVWSULYLTVZRCO-KBPBESRZSA-N 380.422 1.415 0 50 GDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)CSCc1ccccc1Cl)C2 1704313784 JTHCQWRHGLBWFJ-HIFRSBDPSA-N 398.912 1.817 0 50 GDAA CCCn1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1262620483 FPHNELFQJIOMGO-MJGOQNOKSA-N 387.455 1.858 0 50 GDAA COc1ccn2c(CN3C[C@H]4COCC[C@]4(C(=O)N4CCCC4)C3)cnc2c1 1875397399 YPWFLXALBYXGDK-KKSFZXQISA-N 384.480 1.804 0 50 GDAA CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@@H]2C3(F)F)[C@@H](c2ccccc2)C1=O 1875307584 FFTBIGMEXHBIPM-YZVOILCLSA-N 391.418 1.580 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccncc1-n1cccn1 1875402097 BGLILKHJCFYWGT-SRCQZFHVSA-N 386.843 1.687 0 50 GDAA O=C(c1nc2ncc(CCO)cn2n1)N1CCc2ccc(C(F)(F)F)cc2C1 1302335992 GXXGFNGMRMNDNH-UHFFFAOYSA-N 391.353 1.876 0 50 GDAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(C(N)=O)nc3)CC2)cn1 886062997 CNJPXRIFCZBJDW-HNNXBMFYSA-N 382.468 1.748 0 50 GDAA O=C1CCCN1c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cn[nH]c2)c1 2100544825 KWNQQAZRNBCQJY-ROUUACIJSA-N 393.447 1.666 0 50 GDAA O=C(NCc1cc2c(nc1O)CCC2)c1c[nH]nc1I 896336795 MXRZFPLANYVWAJ-UHFFFAOYSA-N 384.177 1.534 0 50 GDAA Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 1174331 GVIMSPAGSKILIS-UHFFFAOYSA-N 375.450 1.807 0 50 GDAA O=C1OC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)C[C@@H]12 2356148225 MQISBLJMJLWJQE-UKRRQHHQSA-N 376.840 1.824 0 50 GDAA COc1c(Cl)cc(C(=O)N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)c(OC)c1OC 2356168683 AWNCZDMUQBGVGS-XOMVMTSMSA-N 397.855 1.978 0 50 GDAA Cc1ncc2c(c1-c1noc(C[C@H]3C(=O)NCCN3C3CCCC3)n1)CCNC2 20539148 WZXFJUKCKLJQGB-KRWDZBQOSA-N 396.495 1.371 0 50 GDAA Cn1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 170625530 XBMUZHFOGAWLAO-ZDUSSCGKSA-N 375.816 1.913 0 50 GDAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1cnc(C)s1)N[C@@]2(CC(C)C)C(=O)OC 65408605 UOAXCHWDBORBPZ-UHQDVWGKSA-N 379.482 1.675 0 50 GDAA CC(C)NC(=S)NN[C@H]1Nc2sc3c(c2C(=O)N1C)CC(C)(C)OC3 22063973 HBXGWEZKZYUCQW-CQSZACIVSA-N 383.543 1.758 0 50 GDAA Cc1nc2c(c(=O)n1C)CCN(Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 65531403 VRLZBZASGOBRAZ-UHFFFAOYSA-N 390.487 1.951 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)Cn2ncnn2)CC1 67804684 TWCHZXPUSQVYDQ-UHFFFAOYSA-N 392.467 1.020 0 50 GDAA CCN1CCN(CCCN2CC3(CCN([C@@H]4CCCNC4)CC3)OC2=O)CC1 72426813 ZGSZYCFYWDNSLX-LJQANCHMSA-N 393.576 1.053 0 50 GDAA Cc1ccccc1N1C[C@@H](Cc2ccccc2)N(C(=O)CNC(N)=O)CC1=O 77438861 PBGAMMCYWXUQDW-QGZVFWFLSA-N 380.448 1.450 0 50 GDAA CN(C)[C@H]1CCN(CCCN2CC3(CCN(C4CCNCC4)CC3)OC2=O)C1 72440424 HMCKYSMBEHAURD-IBGZPJMESA-N 393.576 1.051 0 50 GDAA CCCC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 329113396 RUPBDLFQWVHBOT-DLBZAZTESA-N 379.501 1.265 0 50 GDAA CC(C)CN1C[C@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)CCN2C1=O 330316796 QCVAIVJLGWYDSA-LLVKDONJSA-N 375.458 1.146 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCOCC3)[C@@H]4C2=O)cc1C 77357594 ZUSXQHHYVBUOSN-JYLXEMOASA-N 382.460 1.444 0 50 GDAA CC(C)n1ccnc1CN1CCOC[C@@H]1CC(=O)Nc1ccc2[nH]nnc2c1 72427977 ZSUVIZUGHVYMAY-HNNXBMFYSA-N 383.456 1.965 0 50 GDAA Cc1nsc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccco3)CC2)n1 173082165 WNJFETQRGJGNJP-CQSZACIVSA-N 389.481 1.783 0 50 GDAA CN1CCC[C@]2(CCN(c3nc(-c4ccncc4)nc4c3cnn4C)C2)C1=O 72169268 WFSPXQPXPOULSB-HXUWFJFHSA-N 377.452 1.874 0 50 GDAA CCN(CCSc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426632895 OWKKNUFEEFZANI-CQSZACIVSA-N 388.493 1.550 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 239309232 HIMGRAHFJJIWAE-JAZQRGJZSA-N 387.432 1.961 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)NCc1csc(-c2cnccn2)n1 91665887 AQXKJHFEEDABOD-UHFFFAOYSA-N 378.417 1.626 0 50 GDAA Cc1nn(C)c(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)c1Cl 91859782 NMMBIYWFFMORGC-UHFFFAOYSA-N 379.852 1.006 0 50 GDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CN(C)C)C3)C2=O)c1 426728368 ZYKHTYNEDOMCQB-HXUWFJFHSA-N 377.460 1.737 0 50 GDAA CCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H](C)O)c2)nc1 95357213 NYEUTAGDXXWGBY-ZDUSSCGKSA-N 377.466 1.233 0 50 GDAA CN(CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1)Cc1cccnc1 96165903 VRFFQMGEKLBCPG-DYESRHJHSA-N 381.432 1.603 0 50 GDAA O=C1NC[C@H](C(=O)N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)N1 95511772 OFFFUCQGUDSIHM-GOSISDBHSA-N 384.480 1.272 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC(=O)N2)c1)C1CCCCC1 95353936 BVARLPONSIGFMF-OAHLLOKOSA-N 393.509 1.648 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 96132083 JDIJGXBVDVHQRR-UHFFFAOYSA-N 381.431 1.971 0 50 GDAA CN1CC[C@H](CN(C)c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96132578 KBQZIAKMOUMGQF-AWEZNQCLSA-N 377.489 1.063 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 95507948 ROZFDWBCSRYNQH-UHFFFAOYSA-N 386.435 1.237 0 50 GDAA O=C(CN1CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)CC1)N1CCCCC1 96140526 YUOVIIGYVGVRLY-UHFFFAOYSA-N 381.480 1.847 0 50 GDAA CCc1c(C)cc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)c(=O)n1C 244840205 UIOKTBKARQCXPA-JOCQHMNTSA-N 385.468 1.351 0 50 GDAA COC(=O)c1ccc(C=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 254400507 IMAZMOJOSKONPX-UHFFFAOYSA-N 391.408 1.513 0 50 GDAA COc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c1O 299796326 QISLVQNCAILBLN-HUUCEWRRSA-N 377.466 1.531 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1cncn1CC(C)C 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1.393 0 50 GDAA Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCN2CCNC(=O)[C@@H]2C1 65526281 XOTAMBLCVKIQRM-INIZCTEOSA-N 382.420 1.097 0 50 GDAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCCc1cscn1 20779480 PDOFTEBKXFRAAH-UHFFFAOYSA-N 383.481 1.047 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(c2cc(NCCO)ncn2)C3)cc1 67446730 AFSXFLQQTMEFTB-UHFFFAOYSA-N 378.436 1.790 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@@H]3C1=O 77452467 AIRYNJNKUWZPRJ-XLSPSMHOSA-N 388.464 1.996 0 50 GDAA Cn1ncc2c1C[C@H](C(=O)N1CCN(C(=O)Cc3ccccc3F)CC1)CC2 281937525 RJNANSQXXWJDRP-MRXNPFEDSA-N 384.455 1.578 0 50 GDAA CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 328769964 ITIXPJTYMFQFOY-NWDGAFQWSA-N 381.502 1.554 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 218978392 NMQWLNVOWGZFTJ-HXUWFJFHSA-N 390.484 1.931 0 50 GDAA Cn1cc([C@@]2(C)CN(C(=O)NCc3ccnc(-n4ccnc4)c3)CCO2)cn1 363872010 JXXCIYIBLOVSQC-LJQANCHMSA-N 381.440 1.458 0 50 GDAA CCOC(=O)c1[nH]c(CN2CCO[C@H]3CCOC[C@H]32)c(C(=O)OCC)c1C 367839258 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NC(=O)c1cncc(-c2cccc(C(=O)N3CCC(c4nc[nH]n4)CC3)c2)n1 534644231 ARVXGLJNSZWBDN-UHFFFAOYSA-N 377.408 1.380 0 50 GDAA COc1ccc(-c2noc([C@@H](C)NC(=O)N3CCN(CCO)CC3)n2)cc1 534588192 TVVBARWHDBQIKT-CYBMUJFWSA-N 375.429 1.126 0 50 GDAA CC(=O)NCc1ccc(-c2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)nc1 299770782 RDJJSQNKJZZENM-AWEZNQCLSA-N 378.436 1.795 0 50 GDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccn(C(F)F)n1 825722843 SJTDDJCRHSITHM-UHFFFAOYSA-N 380.351 1.768 0 50 GDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)NCCSc2ccccn2)C1 584893165 CIXJGEUVVOPNNH-ZDUSSCGKSA-N 376.486 1.384 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@]1(C)CCN(C)C1 952976706 GLLCMIGGXYWARJ-GOSISDBHSA-N 378.498 1.843 0 50 GDAA O=C(CC[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCn1cccc1 886024598 MVXAMWZSDMDFEA-CQSZACIVSA-N 394.353 1.927 0 50 GDAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNC(=O)c1ccc(F)cc1 188144957 ZOJBYJOONODMAI-JOCHJYFZSA-N 399.466 1.651 0 50 GDAA Cc1cc(C(=O)N2CCCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)nn1C 1775980025 RFLFKTVPKVKJIL-UHFFFAOYSA-N 394.472 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399.557 1.488 0 50 GDAA Cc1nc([C@H](C)NC(=O)c2ccc(CNS(C)(=O)=O)o2)sc1C(=O)O 262766954 KYKZLAXTGGHZEB-QMMMGPOBSA-N 387.439 1.283 0 50 GDAA CN(C(=O)CNC(=O)COc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O 265168850 NCJUZOSOSTVITI-GOSISDBHSA-N 381.432 1.446 0 50 GDAA COC(=O)[C@]12C[C@H](N)C[C@H]1CN(c1nn3c(C(F)(F)F)nnc3c(C)c1C)C2 905694283 UPSLEZLHBKMMLI-USBNGQNGSA-N 398.389 1.477 0 50 GDAA O=C([C@@H]1CN2CCCN1CC2)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952891172 BLJZHNIVRPSMPE-IBGZPJMESA-N 393.495 1.030 0 50 GDAA CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CO)[C@H]2CCCOC2)cc1C 1875342058 VVLYYTBJCFPKEW-BBRMVZONSA-N 385.486 1.666 0 50 GDAA Cc1nc(C(=O)NC2(CO)CCCCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300047 IYGBYUPOTQVJJZ-MRXNPFEDSA-N 375.517 1.659 0 50 GDAA CN(C)C(=O)c1cc2n(n1)CC1(CCN(Cc3cc4n(n3)CCCC4)CC1)OC2 1775961436 AAGQUXPYPQXQSS-UHFFFAOYSA-N 398.511 1.683 0 50 GDAA COc1c(C(=O)N2CC[C@]3(NC(=O)[C@@H](C)C(C)(F)F)CCC[C@@H]23)cnn1C 1775993384 ZSYWBWFAZLCAGJ-AEDCBLDQSA-N 384.427 1.973 0 50 GDAA 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375.450 1.591 0 50 GDAA CN(Cc1cnccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77485980 UCFHQGJZHLNICK-WEMPKCCASA-N 396.491 1.940 0 50 GDAA O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CC2(CCNCC2)CN1 72151503 LLSXQGWUOCTOOG-GOSISDBHSA-N 375.488 1.722 0 50 GDAA O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)NCc1cccs1 426571861 XIWAWIQVUJNMEZ-SFHVURJKSA-N 398.492 1.473 0 50 GDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NS(=O)(=O)c2ccccc2)cc1 222523837 APKLMDULQNKVII-IAGOWNOFSA-N 376.434 1.300 0 50 GDAA CN(C)C(=O)[C@H]1CN(C(=O)NCc2cnn(-c3cccc(F)c3)c2)CCO1 426596506 NVEKLKURVYCEKR-MRXNPFEDSA-N 375.404 1.010 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1n[nH]c(C)n1)CC2 95516447 GELYKIYVLWIYIE-UHFFFAOYSA-N 385.472 1.081 0 50 GDAA COc1cc(CN2CCC(CO)CC2)ccc1OC[C@@H](O)CN1CCCC1 95516767 UGOCPPXWPHBKQC-IBGZPJMESA-N 378.513 1.735 0 50 GDAA O=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91595953 HGRQZTKFEXKTPC-IBGZPJMESA-N 385.508 1.796 0 50 GDAA C/C=C(\C)CN1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[C@H]1C(=O)NC(C)C 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Cc1cc(C)n(CCC(=O)N2CCC[C@@H](CNC(=O)c3c(C)ncnc3C)C2)n1 825148789 BJNHULZPIYXJAA-SFHVURJKSA-N 398.511 1.965 0 50 GDAA C[C@@H](CN1CCc2ccccc2C1)Nc1cncc(C(=O)N2CCOCC2)n1 952972534 KGFCPHTVPSCLPD-INIZCTEOSA-N 381.480 1.808 0 50 GDAA Cc1ccccc1-c1ncc(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)cn1 1565513578 PSKXDMRWNHQHHL-SFTDATJTSA-N 382.508 1.844 0 50 GDAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccc(Br)c2)C1=O 278893910 UTOUBQGZSSGLNJ-RFAUZJTJSA-N 384.230 1.968 0 50 GDAA C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)N1CCOCC1 170622973 AJHGUWRAWKREIV-JTQLQIEISA-N 398.341 1.733 0 50 GDAA C[C@@H](c1nnnn1C1CC1)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 191930570 VUXPNXIOROLMQW-AWEZNQCLSA-N 397.549 1.196 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)cc2)C1 1506431465 LIYKTWZZSBITIX-IBGZPJMESA-N 383.558 1.962 0 50 GDAA CCC[C@H]1CN(c2nc3cc(C(=O)OC)ccc3n2C)C[C@@H]1NS(C)(=O)=O 216827330 FFTYGHODSNVKRQ-ZFWWWQNUSA-N 394.497 1.514 0 50 GDAA O=C(CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)N1CCNCC1 1704303049 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COCCC[C@@]1(CO)CN(CCCOc2ccc(C(N)=O)cc2)CC[C@H]1O 1857710143 JNGKJZXRQJMAMH-QUCCMNQESA-N 380.485 1.026 0 50 GDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(=N)[nH]4)C[C@]34CC[C@H]2O4)cc(C)n1 1857714551 DQJVYSYKQSMJHU-BIZBXSGISA-N 394.479 1.315 0 50 GDAA O=S(=O)(c1ccccc1C(F)(F)F)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857725811 OADDEMAXCVETGA-XTWPYSKKSA-N 377.384 1.866 0 50 GDAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)n[nH]1 1857731805 PEGCLLMLXWBASW-CQSZACIVSA-N 396.476 1.830 0 50 GDAA CC(C)c1cc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)nc(N)n1 210209564 ZIOJTYZXYHPTCX-CJNGLKHVSA-N 384.436 1.902 0 50 GDAA CC(C)N(C)S(=O)(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 114209796 YEKSJJOALNVMED-UHFFFAOYSA-N 375.498 1.851 0 50 GDAA COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(C)c2)n(C)c1=O 5150566 FSOYMORWSGRNMA-AWEZNQCLSA-N 383.452 1.639 0 50 GDAA O=c1cc(N2CCOCC2)cnn1[C@@H]1CCCN(Cc2ccncc2Cl)C1 328602885 DALQYPOJBRPNRD-MRXNPFEDSA-N 389.887 1.965 0 50 GDAA COc1ccc(-c2nccnc2NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)cc1 864096897 RLCZENXSVGQZNA-HOCLYGCPSA-N 393.465 1.945 0 50 GDAA Cc1ccc(C(=O)NCCc2cn(C)nn2)cc1S(=O)(=O)N1CCCCC1 1875266611 NYXVHSDPKQSQMU-UHFFFAOYSA-N 391.497 1.271 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](C)C3(O)CCCCC3)C2)n1 1875397608 HCDCDQRBVPZLIG-HZPDHXFCSA-N 375.517 1.705 0 50 GDAA COc1cccc(-n2nc(-c3cnn(CCO)c3)nc2CCOCC(F)F)c1 1875331243 WHDNOUXNAOXWBM-UHFFFAOYSA-N 393.394 1.956 0 50 GDAA O=C(N=c1ccn(CC(F)F)[nH]1)C(=O)N1CCC(Cc2cccc(O)c2)CC1 1875300751 OZRZLHFTCADJSI-UHFFFAOYSA-N 392.406 1.696 0 50 GDAA O=C(NC1CC1)[C@H](O)C1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 888101305 HUOSKCOYXFZZKH-QGZVFWFLSA-N 382.407 1.902 0 50 GDAA Cc1noc2ncc(CN3CCC4(CC3)Cn3nc(C(N)=O)cc3CO4)cc12 1775961624 NWJVBYXQTXXDJZ-UHFFFAOYSA-N 382.424 1.392 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)c1 2100539735 WBWDMXAOVFZXRW-YSTOQKLRSA-N 385.508 1.447 0 50 GDAA O=C1C[C@H](CC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1 2325763530 AIJKJHZIQAMFTH-RNCFNFMXSA-N 398.246 1.976 0 50 GDAA CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccnc(-c3ccccc3)n1)C2 2325782389 VOTKWBYCYUYKFG-HOTGVXAUSA-N 386.477 1.828 0 50 GDAA CC1(C)[C@H](CNC(=O)c2cc(F)c3ncccc3c2)C[C@@H](C(=O)O)S1(=O)=O 2325875674 ZMSGPHUUQYKJIV-JSGCOSHPSA-N 394.424 1.770 0 50 GDAA CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)C1=O 912313515 FXZIGBKYTWUHIN-RMMWZPCPSA-N 383.492 1.213 0 50 GDAA NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 949111 WPKORICEVGOMFZ-UHFFFAOYSA-N 391.836 1.765 0 50 GDAA COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc(OC)c1 1049715 YZXPOAAKMHLBIK-UHFFFAOYSA-N 375.410 2.000 0 50 GDAA COc1ccnc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356137675 VBIZKFHIRPJIHV-WHSLLNHNSA-N 387.480 1.991 0 50 GDAA Cc1c(S(=O)(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)cnn1C 2356144245 ORQCSIFTHYOHME-UHFFFAOYSA-N 386.481 1.158 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)cn23)n(C)c1=O 8617914 RKMZENIEUGYGNP-UHFFFAOYSA-N 387.827 1.747 0 50 GDAA COc1cc(NC(=O)Cn2cc(C)c(=O)[nH]c2=O)ccc1NC(=O)CC(C)C 55053108 UEJPWENVFUIPJU-UHFFFAOYSA-N 388.424 1.477 0 50 GDAA CS(=O)(=O)NCCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65469297 NUDVDFTUUONEDZ-ZWKOTPCHSA-N 376.478 1.456 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(-c2cccs2)nn1C 67774438 QXYQYWPLNYKHRE-WFASDCNBSA-N 375.498 1.559 0 50 GDAA CN1C[C@@H](NC2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)CCC1=O 23369052 UVAKYLXRCAMTQV-KRWDZBQOSA-N 385.512 1.738 0 50 GDAA COCCN1C[C@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)CCC1=O 12055052 NOXKIACVOBVOEP-GFCCVEGCSA-N 388.390 1.348 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)n(-c2ccccc2)c1=O 67692583 RMSQLKXSHIIMEV-HNNXBMFYSA-N 379.420 1.279 0 50 GDAA CC1(C)C(O)=Nc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc21 330241259 FOIDDSFGRPAXLT-CQSZACIVSA-N 391.493 1.511 0 50 GDAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(C[C@H]2CCCNC2)nn1 65405425 UJEIUICBLVILGJ-KRWDZBQOSA-N 379.468 1.736 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1460324 LDUUESZQHANNCT-KRWDZBQOSA-N 380.510 1.996 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 6742046 GHTWHFQKGIYFBZ-SJORKVTESA-N 394.493 1.719 0 50 GDAA CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1cccn(CC(F)(F)F)c1=O 253424146 AYEDJMMGYTYKSB-LLVKDONJSA-N 384.376 1.884 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 71714923 MRUDAANOQLWKJH-KRWDZBQOSA-N 391.487 1.905 0 50 GDAA O=C1CN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)C(=O)N1 376417905 VPTSVGCGIWLLQO-UHFFFAOYSA-N 384.314 1.018 0 50 GDAA CCn1cnc2c(N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)ncnc21 377142433 QNIMFKUPMSCNKX-KBPBESRZSA-N 378.436 1.987 0 50 GDAA C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCN1CCNCC1 237617186 JJPLUGYQMZACRJ-CQSZACIVSA-N 382.505 1.297 0 50 GDAA C[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O 77536200 FPIMTNYOGCHKPU-MRXNPFEDSA-N 380.448 1.452 0 50 GDAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 178488314 PZGNLVGQMBECIO-AWEZNQCLSA-N 380.408 1.423 0 50 GDAA O=C(CCc1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2)NCCO 91680761 DWHNREJSQCRUSY-UHFFFAOYSA-N 379.464 1.488 0 50 GDAA Cc1nc(CCC(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)n[nH]1 95380859 OPYYDKGIBVHTQE-OAHLLOKOSA-N 375.473 1.066 0 50 GDAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 238091009 IXHCSUKPBNVOCJ-MRXNPFEDSA-N 383.851 1.672 0 50 GDAA CN(CC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1)C1CCCC1 95372314 OXQFEYVKWWCNBS-MRXNPFEDSA-N 385.516 1.640 0 50 GDAA Cc1nc(C)c(CC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)s1 91474856 KGIUHVQROXRKFL-SJORKVTESA-N 381.542 1.624 0 50 GDAA COc1ccccc1N1CCN(C(=O)CCN(C)S(C)(=O)=O)CC1(C)C 91829113 MECCRWAJPJKVFQ-UHFFFAOYSA-N 383.514 1.404 0 50 GDAA CCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91412526 IFRJNQFRHYFBTE-GOSISDBHSA-N 380.514 1.706 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)c1ccc(-n2cnnc2)cc1 244842291 UOBFDFNMUGFCOL-RTBURBONSA-N 378.436 1.028 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3ccccc3nc2O)c1O 253623677 FYXGLPLLKJAFFG-JTQLQIEISA-N 383.360 1.541 0 50 GDAA biogenic CCOc1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1OCC(=O)O 262385280 JDEDYDNYTUUROF-OAHLLOKOSA-N 377.315 1.688 0 50 GDAA CCCCN1CCn2nc(CNC(=O)[C@H]3CCCC[C@H]3C(=O)NC)cc2C1 299767813 VCXFNDXFNSIUEZ-MSOLQXFVSA-N 375.517 1.667 0 50 GDAA CC(C)c1nccn1CCCNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 827758254 BWPPEHUMXMCWAC-QGZVFWFLSA-N 396.557 1.412 0 50 GDAA CN(C)CC(C)(C)CN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565528951 AHELVVMDTBHAGA-RBUKOAKNSA-N 379.570 1.558 0 50 GDAA Cc1nc(CC(C)C)cc(C(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)n1 1565515129 NHQMITURVZFECU-ICSRJNTNSA-N 383.496 1.744 0 50 GDAA O=C(O)C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(Br)c1 268934404 FOAFWWPBOHPPQL-LLVKDONJSA-N 387.255 1.614 0 50 GDAA Cc1ccnc(NC(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)c1 275532766 CGIODYFVRZULTI-HNNXBMFYSA-N 385.472 1.690 0 50 GDAA CN(C(=O)c1ccc(C(=O)N2CCOCC2)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704299952 OYUWTVZCXLQXBO-FGTMMUONSA-N 385.464 1.146 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(c3nnnn3-c3ccccc3)CC2)C1 1772808961 HHHATJINXZJDLI-QGZVFWFLSA-N 383.456 1.502 0 50 GDAA COc1cccc(CN2C[C@H]3CN(CCn4cc(Cl)cn4)C[C@]3(CO)C2)c1 1772812219 JBUVNHKBIGYQEX-YLJYHZDGSA-N 390.915 1.971 0 50 GDAA Cc1noc(C)c1C(=O)N1C[C@H]2CN(C(=O)Cc3cccs3)C[C@@]2(CO)C1 1772702111 DNKVCZQEBSDFQR-KUHUBIRLSA-N 389.477 1.489 0 50 GDAA O=S(=O)(CC1CCCC1)N1C[C@@H]2CN(CCCn3cccn3)C[C@]2(CO)C1 1772811305 SEHMZQFJQWZYDZ-RBUKOAKNSA-N 396.557 1.019 0 50 GDAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](O)C3)cc(-n3cnnn3)c2)cc1 11909126 QCHIBNGTTXGANR-GOSISDBHSA-N 379.420 1.935 0 50 GDAA COCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 12377506 CCVFYTFMMYYHTI-UHFFFAOYSA-N 394.884 1.874 0 50 GDAA C[C@@H]1CC(=O)c2cnc(NC(=O)CSc3nnnn3-c3ccccc3)nc2C1 12653275 ANFGLUGBMDGXSW-NSHDSACASA-N 395.448 1.948 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 14977401 GBIMEJINMNEXCR-MRXNPFEDSA-N 395.525 1.308 0 50 GDAA CCOC(=O)CN(C)C(=O)CCc1nnc(CCc2ccccc2OC)o1 15064171 GYMDGHIBVOYDPO-UHFFFAOYSA-N 375.425 1.818 0 50 GDAA O=C(C[C@H]1CNC[C@@H]1O)N1CCC(OCc2ccc(Br)cc2)CC1 1857531347 LYHDKKUZEOZRQO-YOEHRIQHSA-N 397.313 1.927 0 50 GDAA COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669426 UGYRUHFGCHRBDE-ZUZCIYMTSA-N 375.830 1.460 0 50 GDAA CNC(=O)Cc1nc(-c2scc3c2CCCC3)n([C@H]2CCS(=O)(=O)C2)n1 1857696696 LZPUNKXMZVCLGN-LBPRGKRZSA-N 394.522 1.534 0 50 GDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2ccncn2)CC1 1857711314 SPPHCWZGGIUVSX-GOSISDBHSA-N 386.427 1.891 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1=O 328613963 UTTJIPPAUXDDRO-KFWWJZLASA-N 383.518 1.211 0 50 GDAA CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 828634987 BFIFBDWCAPRVAA-GUYCJALGSA-N 398.385 1.913 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 952992830 DKYGRWNZQVTMCW-QGZVFWFLSA-N 379.888 1.670 0 50 GDAA O=C([C@@H]1CCCNS1(=O)=O)N(Cc1ccccc1C(F)(F)F)C1COC1 1875274348 QUPQJKIFACKCDO-AWEZNQCLSA-N 392.399 1.515 0 50 GDAA Cc1cnn2c1CN(C(=O)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)CC2 1875303852 QKIWGNUGIASCGO-LLVKDONJSA-N 381.358 1.825 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cn(C4CC4)cn3)C2)c1C 1875397606 HATJNQBLBQALEL-OAHLLOKOSA-N 383.500 1.695 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1309956819 ZRPCJBZPKUVMEH-YPMHNXCESA-N 383.413 1.817 0 50 GDAA COCCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)c2cccc(C)c2C)CC1 1775991979 NPIXNJPCGJZDEE-KRWDZBQOSA-N 392.496 1.438 0 50 GDAA O=C(COc1ccc(F)cc1)NCc1ccnc(CNC(=O)c2cnc[nH]2)c1 2100556201 IIFCRFLKFFUUKU-UHFFFAOYSA-N 383.383 1.569 0 50 GDAA COc1nc2c(cc1CN1C[C@@H]3CCS(=O)(=O)[C@@H]3C1)C(=O)N(C(C)C)C2 2100556458 AGQGNPHJBKTDBE-BLLLJJGKSA-N 379.482 1.073 0 50 GDAA CCn1cc(C(=O)N[C@@H](C)C(F)F)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325779119 IDAXFUWHLUSVJJ-NSHDSACASA-N 396.413 1.954 0 50 GDAA CCC1(C(=O)NCCN(C)C(=O)[C@@H](C(C)C)N2CCCC2=O)CCOCC1 2325794112 QOGYUXPXHQXGHN-QGZVFWFLSA-N 381.517 1.415 0 50 GDAA CO[C@@H]1C[C@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)N(c2cc(C)ncn2)C1 2325804033 QMCBXCZHQZZTLU-HZPDHXFCSA-N 395.467 1.399 0 50 GDAA CC(C)=C(F)C(=O)N1C[C@H](O)C[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C1 2325878067 DAINBFDRKJUVHA-ZIAGYGMSSA-N 381.452 1.279 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 2325889953 HDZZIZWQWSOGHK-MRXNPFEDSA-N 379.482 1.331 0 50 GDAA C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325893484 PLWDXWFHVMOORZ-MLGOLLRUSA-N 384.436 1.854 0 50 GDAA Cc1ccccc1NC(=O)[C@@H]1CO[C@H](CNC(=O)c2nnn(C)c2C(F)F)C1 2332237992 TXRXHXUYJPIUPG-RYUDHWBXSA-N 393.394 1.835 0 50 GDAA COc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1456532 NYMSIFVFZNGDCA-UHFFFAOYSA-N 379.416 1.640 0 50 GDAA O=C1N=C(O)N=C(O)[C@H]1[C@H]1c2c([nH]c(=O)[nH]c2=O)Oc2ccc3ccccc3c21 2589376 BGTJPFFYGKFJNO-NSHDSACASA-N 392.327 1.481 0 50 GDAA N=c1[nH]cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)s1 2356169275 OIYYHYJOAFWNOM-LXIYXOSZSA-N 378.498 1.456 0 50 GDAA O=C(NCc1ccc(Cl)s1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 23338989 YJRISIYZDBDQDQ-AWEZNQCLSA-N 399.944 1.979 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)nn(C)c1=O 67867625 AZXSQPQIXROOIU-HNNXBMFYSA-N 377.489 1.100 0 50 GDAA Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C)CC3)c(C)o2)cc1 20241900 LHXUCTGYFDTWSZ-UHFFFAOYSA-N 391.493 1.647 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](c2nnc([C@@H]3SCCc4ccccc43)o2)C1 328629836 IROWLPDXEKNXDB-ZIAGYGMSSA-N 381.479 1.781 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCC3CCNCC3)C2=O)c1 67894718 NSFHBXCQYJQIQX-HXUWFJFHSA-N 379.476 1.277 0 50 GDAA CCc1cc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)on1 67896304 AEWBHOCUKOHAGS-INIZCTEOSA-N 378.517 1.676 0 50 GDAA CCCCc1nc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c[nH]1 72409114 SGBAYYRXBUHMSC-DLBZAZTESA-N 396.557 1.608 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCC[C@H](C(N)=O)C3)c12 72439720 MWSPELVZHIAHIH-HNNXBMFYSA-N 394.483 1.343 0 50 GDAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 328639284 WWFBSSKNMADGHU-AWEZNQCLSA-N 387.465 1.822 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2nc(C)sc2C)cn1 328626385 LQULWEIILFTKKV-OAHLLOKOSA-N 382.511 1.517 0 50 GDAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 363071491 OYIBKZRKEPAZQB-GDLUXTLDSA-N 384.480 1.104 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N4CCN[C@H](C)C4)nc3c(=O)n2C)c(F)c1 72463795 AYHAHAMTSFEFHZ-GFCCVEGCSA-N 399.426 1.282 0 50 GDAA Cn1cnc(S(=O)(=O)NCC(=O)N2CCS[C@@H](c3ccccc3)C2)c1 370395932 RWKUSWPNSXSKLH-CQSZACIVSA-N 380.495 1.015 0 50 GDAA CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2csc(C(=O)O)c2)C1 378254565 SBGLHPKVNACRQK-LBPRGKRZSA-N 380.447 1.702 0 50 GDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3ccc(C)c(C)c3)nn2)n1 72115913 MHZSCAKSIWCWRC-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA COc1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 242263322 XYCBMABJVVPSSW-BFHYXJOUSA-N 386.404 1.517 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)n1 223232885 PFGIVDVTHYMDMW-CQSZACIVSA-N 386.437 1.658 0 50 GDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)cc1 220623941 PBKGXCBSUGZHMO-OAQYLSRUSA-N 385.464 1.900 0 50 GDAA C[C@@]1(O)CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 177377750 PHTMSQRSCGSZQZ-MRXNPFEDSA-N 398.389 1.343 0 50 GDAA CCc1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c1C 95356079 HQGBGEIAUVZFLI-WTLGNFPFSA-N 392.544 1.238 0 50 GDAA CN1CCC(n2nc(-c3ccncc3)nc2C[C@@H]2CCS(=O)(=O)C2)CC1 96153352 HCUDBAVVRXHUPK-AWEZNQCLSA-N 375.498 1.584 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2c[nH]cn2)c1)N1CCSCC1 95378127 LEPSWANYTFBJTM-UHFFFAOYSA-N 380.495 1.120 0 50 GDAA O=C(C[C@H]1CCc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 91860582 IEEBDUDLIQCQOZ-QGZVFWFLSA-N 377.510 1.591 0 50 GDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2 95368725 NTYPXFMSLTWMSF-JKSUJKDBSA-N 380.448 1.724 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@H]1c1ccc(F)cc1 91657177 YIKPSWGTJYRZJK-JKSUJKDBSA-N 381.367 1.742 0 50 GDAA Cc1nn(C)c2sc(C(=O)Nc3cccc(S(=O)(=O)NCCN)c3)cc12 237862694 WQMRYBDCNGNQQW-UHFFFAOYSA-N 393.494 1.433 0 50 GDAA O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(c2ccnn2CCO)CC1 181930588 DDZKUVDLHLIDCX-UHFFFAOYSA-N 396.491 1.951 0 50 GDAA C[C@H]1Cc2cc(C(=O)NCc3nc(C(=O)O)cs3)ccc2N1S(C)(=O)=O 299750215 MWMVJIWXUCLBIZ-VIFPVBQESA-N 395.462 1.482 0 50 GDAA Cc1nc2ccccc2n1CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 253411688 OYFBOWHMPPFEOQ-KRWDZBQOSA-N 391.431 1.602 0 50 GDAA biogenic CC(C)C(=O)N1CCn2nc(CNC(=O)NCCC[C@H]3CCOC3)cc2C1 534644062 LJCYAQXEWMKASN-HNNXBMFYSA-N 377.489 1.497 0 50 GDAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2ccccc2-n2ccnc2)[C@@H]3C1=O 828129237 SNZNCMZAAZJERR-VWNVYAMZSA-N 392.459 1.679 0 50 GDAA CN1C[C@@H](NC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)C[C@H]1C(=O)O 670448093 IHMHSBWOIIJCIP-BBRMVZONSA-N 389.431 1.748 0 50 GDAA O=C(O)[C@@H](Cc1ccc2c(c1)OCCCO2)NS(=O)(=O)c1cccnc1 277305897 SLAGBQIPAJXVQI-CQSZACIVSA-N 378.406 1.217 0 50 GDAA C[C@H]1CN(CCN(C)S(=O)(=O)c2ccc3c(c2)N(C)CCC3)C[C@@H](C)O1 194023295 VGSRUQPTLFHBHG-IYBDPMFKSA-N 381.542 1.799 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cc1 1506400371 DIXXCPZQCZXHEA-KRWDZBQOSA-N 388.493 1.384 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(CCOC)C2)cc1 1506413960 AXCIFVIASUYKOB-HNNXBMFYSA-N 383.514 1.025 0 50 GDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCNC(=O)C1 1529177617 BJSICHISRGMLQE-UHFFFAOYSA-N 379.316 1.382 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@H]2CNCCO2)ccc1F 1704314932 YMFJCDFLXBFOAQ-GFCCVEGCSA-N 378.404 1.274 0 50 GDAA CCNC(=O)[C@@]12CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)[C@H]1CN(C)CC2 1775983699 ROGVPZRLAQEVBR-LAUBAEHRSA-N 398.511 1.409 0 50 GDAA Cc1cc(C(=O)N2CCCN(CC(=O)N3CCOc4ccccc43)CC2)n(C)n1 1772707283 ZXSGGFLOMWQNPV-UHFFFAOYSA-N 397.479 1.302 0 50 GDAA NC(=O)c1noc(CN2CCCN(C(=O)c3scc4c3CCCC4)CC2)n1 1772805369 MIEVJZLSVQKLAN-UHFFFAOYSA-N 389.481 1.457 0 50 GDAA CC(C)c1nccc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccccn2)C3)n1 1772703290 WURCIDPPLQLYJA-WMZOPIPTSA-N 381.480 1.968 0 50 GDAA CCOC(=O)[C@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11841189 ODWHKVXFCRSXFO-NSHDSACASA-N 378.458 1.346 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCn2nccc2C)CC1 12454990 WSHXURFNVRCFEF-HXUWFJFHSA-N 392.544 1.948 0 50 GDAA CCOC(=O)CCN[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14541452 CVGWEIGQOYKHJI-HNNXBMFYSA-N 376.501 1.929 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1.475 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCCC3)[C@H]4C2=O)c1 77285328 VSEXRJAOQXYRRS-OZIGNCPNSA-N 382.460 1.990 0 50 GDAA Cn1c2c(cc(C(=O)NCCn3nc(O)c4ccccc4c3=O)c1=O)CCCC2 426701599 LRZCIKJXAYUYRK-UHFFFAOYSA-N 394.431 1.110 0 50 GDAA CN(CCCOc1ccccc1Cl)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2 95526546 PGFCYTAIJNRGTM-CABCVRRESA-N 379.888 1.920 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cc(O)n[nH]4)C3)CCC2=O)cn1 92004585 AXZZTOSHMJUHPS-IBGZPJMESA-N 384.440 1.259 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCC(O)(c4ccccc4)CC3)n2C)C1 244564068 CMAGHHQEMYFHOX-SAABIXHNSA-N 383.496 1.681 0 50 GDAA CNC(=O)NCCC(=O)N1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O 294445136 HMRJYHDRHLBTSN-MRXNPFEDSA-N 392.525 1.797 0 50 GDAA CN(C)C(=O)NCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 181037767 LYVGVHCXXAMGHN-QGZVFWFLSA-N 386.418 1.828 0 50 GDAA O=C(Nc1nc([C@@H]2CCCO2)n[nH]1)C1CCN(c2ccc(Cl)nn2)CC1 252492674 MSCDJMCUNPOGLJ-NSHDSACASA-N 377.836 1.955 0 50 GDAA COc1cc(-c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)nc(OC)n1 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CC(C)Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)nc(O)n1 1529155458 SVOVQJGWPJVTAK-INIZCTEOSA-N 376.457 1.234 0 50 GDAA Cc1nccc(CN2C[C@H]3CN(C(=O)c4cccc(O)n4)C[C@]3(CN(C)C)C2)n1 1772815205 ZLGGXBGATLNUJB-KKSFZXQISA-N 396.495 1.021 0 50 GDAA CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(CC)CC)c1 12702812 HPAXNYCOICRGSY-KRWDZBQOSA-N 382.501 1.772 0 50 GDAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c(C)c1 14747126 BXGHOIWZNUVPMR-LEWJYISDSA-N 393.487 1.763 0 50 GDAA NC(=O)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 14952239 NOTWOFPGSLUKCT-OAHLLOKOSA-N 379.464 1.450 0 50 GDAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)o1 14981685 JVMVDZHEJHULRB-KRWDZBQOSA-N 377.485 1.208 0 50 GDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 19771163 HAPYRKZIGRQMSP-INIZCTEOSA-N 376.457 1.557 0 50 GDAA O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1CCC(=O)N(C2CCCC2)C1 19840341 UHSDUZKJQJFVOV-QGZVFWFLSA-N 377.529 1.929 0 50 GDAA CCc1c(C)nn(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3nonc3C)C2)c1C 1857686951 KRBPDZFWCPUBAY-HUUCEWRRSA-N 388.472 1.611 0 50 GDAA CNC(=O)c1noc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 1857701242 JFHMDYCDTBETPW-HZPDHXFCSA-N 386.452 1.676 0 50 GDAA Cc1nc2c([nH]1)CN(C[C@@]1(O)CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1857739582 WFBBOTRYTDQFQM-NRFANRHFSA-N 398.463 1.472 0 50 GDAA O=C(c1cccnc1)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 215820411 PJRMMNYSFLVKOP-PMACEKPBSA-N 384.455 1.618 0 50 GDAA O=C1NC(=O)[C@H]2CN(C(=O)Nc3nc4cc5c(cc4s3)OC(F)(F)O5)C[C@@H]12 333052381 CGNPSPIEFRFLKO-OLQVQODUSA-N 396.331 1.354 0 50 GDAA Cc1nc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)ccc1C(=O)O 263321009 IWXZAQOGLZPKAV-CYBMUJFWSA-N 381.479 1.179 0 50 GDAA COc1ncnc(OC)c1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 266931175 NLCDVYMCZOKBOC-UHFFFAOYSA-N 399.451 1.063 0 50 GDAA CCn1nc2c(c1C(=O)N1CC3(C1)NC(=O)c1ccccc1N3)C[C@H](C)O[C@@H]2C 1875314401 WCWPEOOUWIUHIY-QWHCGFSZSA-N 395.463 1.933 0 50 GDAA CCCn1cccc1C(=O)N1CC2(CN(C)C[C@@H]2c2ccnc(N(C)C)n2)C1 1875396195 YJNAXCDHMXLSJO-MRXNPFEDSA-N 382.512 1.926 0 50 GDAA COc1ccc(C[C@H](CO)CNC(=O)c2ccc3[nH]nc(C(=O)O)c3c2)cc1O 1875300223 RXXCHUPSEQIRIM-LBPRGKRZSA-N 399.403 1.556 0 50 GDAA Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 888077602 KWVJTUBBEVOZDC-CYBMUJFWSA-N 385.445 1.794 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCCc2ccncc2)CC[C@H]1NC(=O)c1cc(C)[nH]n1 2100482514 FKMCJVSLOFGJRX-LZLYRXPVSA-N 385.468 1.386 0 50 GDAA CC1(C)O[C@]2(CCCN(C(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)C2)NC1=O 2325784355 WUGYUUMIOKRYSR-WQGACYEGSA-N 394.390 1.214 0 50 GDAA O=C(C[C@H]1CN(C(=O)c2ccsn2)C2(CCC2)CO1)N1C[C@@H]2CCO[C@@H]2C1 2325785427 YCFUTJQEXQXDMH-OFQRWUPVSA-N 391.493 1.544 0 50 GDAA CC1CC(COC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325886862 MAETYBTZZNTLMH-AJUCZRQESA-N 399.447 1.720 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)N=c3[nH]oc4ccc(F)cc34)CC2=O)s1 2356149792 BJFSIYLRIOYSHB-QMMMGPOBSA-N 391.384 1.378 0 50 GDAA COc1cccc(C(=O)N2CCC[C@H](N(CC(=O)O)C(C)=O)CC2)c1OC 460600789 WGJZLAJRURPPEO-AWEZNQCLSA-N 378.425 1.632 0 50 GDAA O=C(NS(=O)(=O)CCC(F)(F)F)c1cccc(N2CCCNC2=O)c1 225474345 XSUVGYIGVIUECG-UHFFFAOYSA-N 379.360 1.618 0 50 GDAA Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 114706762 GYZFOTHOMNRSAK-ZDUSSCGKSA-N 381.436 1.749 0 50 GDAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)CC1 55169055 ANEAENOPRFLPGR-KRWDZBQOSA-N 397.878 1.807 0 50 GDAA O=C1NCCCC[C@@H]1NCc1ccccc1OCCCCN1CCOCC1 55168059 NQRUJLKEVMVWIG-IBGZPJMESA-N 375.513 1.936 0 50 GDAA O=C(NCCN1CCOCC1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 22241755 SGIIYCXBKACBRL-UHFFFAOYSA-N 375.469 1.076 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)n[nH]c1=O 67690825 HVROBOVLCZWDPB-CYBMUJFWSA-N 379.424 1.463 0 50 GDAA CN1CCN(S(=O)(=O)c2cnc3ccc(F)cc3c2)C[C@@H]1c1nccn1C 329248557 WRFKQXCGJAOXNX-QGZVFWFLSA-N 389.456 1.785 0 50 GDAA Cn1ncc(NC(=O)c2cnn3c(C(F)(F)F)cc(C4CC4)nc23)c1C(N)=O 2776816 JQQPCYXSCPRCAE-UHFFFAOYSA-N 393.329 1.710 0 50 GDAA CN1CCC(N2C[C@@H]3C[C@@H](c4ccc(OCCO)cc4)N4CCC[C@@]34C2=O)CC1 11844365 YNIYLLJHBOOQAL-HARLFGEKSA-N 399.535 1.890 0 50 GDAA Cc1ccc(C(=O)N2CCc3c(nc(-c4cccnc4)nc3N(C)C)C2)c(=O)[nH]1 72160884 RCSCOGCYKMHSHV-UHFFFAOYSA-N 390.447 1.800 0 50 GDAA CN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1c1ncc[nH]1 328639658 WYOGRNKXUBIEKD-JTQLQIEISA-N 391.316 1.911 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2c(Cl)nc3ccccn23)n1 328633399 SPUFZGCYKKPDQV-VHSXEESVSA-N 397.844 1.430 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2sccc2Br)CCO1 330498968 FKSFAUAOFYXIFI-SECBINFHSA-N 377.260 1.368 0 50 GDAA CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCC(=O)N1Cc1ccccc1 71755287 MTONEGPGNCMEFI-GOSISDBHSA-N 382.464 1.591 0 50 GDAA O=C1CSc2ncnc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c2N1 364769484 KPNZQCGXDGDDPL-UHFFFAOYSA-N 399.432 1.212 0 50 GDAA O=C(N[C@@H]1CCNC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 127198687 SUUPOFMVSYXPCM-OAHLLOKOSA-N 391.518 1.587 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cncc(C)c3)CC2)C1 71749305 CTFIOAYRPLIDLJ-QGZVFWFLSA-N 388.512 1.469 0 50 GDAA NC1CN(C(=O)[C@@H]2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 71760764 JHOXOLCIKSNORG-LJQANCHMSA-N 382.552 1.500 0 50 GDAA CC(C)c1nnc2n1CCN(S(=O)(=O)c1cnn([C@@H]3CCOC3)c1)[C@H]2C 333415299 HDGZMUYPAGEZSE-QWHCGFSZSA-N 380.474 1.325 0 50 GDAA Cc1nsc(N2CCN(C(=O)CCc3nc(-c4ccccn4)no3)CC2)n1 173277856 IMRCYLQUYUMAGW-UHFFFAOYSA-N 385.453 1.573 0 50 GDAA C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 242273776 YFVBEVFGSPWGKA-ZTFGCOKTSA-N 395.463 1.962 0 50 GDAA O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1cccc(-c2ncn[nH]2)c1 132664885 BBHNNLUPJSTOCX-UHFFFAOYSA-N 396.495 1.536 0 50 GDAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 46972879 CJIZKMOAXASKKQ-LJQANCHMSA-N 389.459 1.991 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3nc[nH]c3c2)c1 426640529 QSJYAGPAHNNYFE-HXUWFJFHSA-N 391.475 1.878 0 50 GDAA O=C(NCCc1cn[nH]c1)c1cccc(-c2nccc(N3CC[C@@H](O)C3)n2)c1 426445142 PRSWUPCIJPQEEO-QGZVFWFLSA-N 378.436 1.410 0 50 GDAA Cc1ccc(CN2CCN(Cc3nnc(C(C)C)o3)[C@H]3CS(=O)(=O)C[C@H]32)o1 95517674 ZYGOTLLHARUFOF-CVEARBPZSA-N 394.497 1.578 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C[C@@H]1CO 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396.491 1.793 0 50 GDAA Cc1ccc(F)c(NC(=O)CN2CCCN(C(=O)c3cc(C)nn3C)CC2)c1 1772710673 NVVAYHYVAPEFPW-UHFFFAOYSA-N 387.459 1.963 0 50 GDAA COc1ccccc1CCN1CCC(CN(C)C(=O)CCNC(C)=O)CC1 11815024 FCIZRRQMOAMISK-UHFFFAOYSA-N 375.513 1.934 0 50 GDAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCOC(C)C)C2 14542646 VEWLJEQPFDIRLR-OAHLLOKOSA-N 380.558 1.964 0 50 GDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H]1CCCc2ccccc21 14948809 FCUGJLOBXWISSG-SFHVURJKSA-N 384.484 1.479 0 50 GDAA CN1CCC(N2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)CC1 19732014 WEKYGSJWRNLQAK-NRFANRHFSA-N 383.540 1.835 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nnc(C)s3)C2=O)cc1 206242197 QHRAKDQRLSWLRE-CYBMUJFWSA-N 389.437 1.347 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cn1 1857680043 FSKFSIMJPVNXOO-INIZCTEOSA-N 395.463 1.183 0 50 GDAA COCc1cc(CNC(=O)[C@@]23CCCCN2C[C@@H](NC2CCCC2)C3)[nH]n1 1857703076 IENLDBCCKYDITL-ICSRJNTNSA-N 375.517 1.702 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(CCn3cc(Cl)cn3)C[C@]23CC[C@H]1O3)C1CCC1 1857713106 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CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1C 1704303328 HGYAFCZTZDIRFC-RTBURBONSA-N 382.526 1.861 0 50 GDAA CCOc1ccc(-c2cn(C3CN(C(=O)C4CN(C)CCN(C)C4)C3)nn2)cc1 907249350 BKRFPFVJTKNGSU-UHFFFAOYSA-N 398.511 1.221 0 50 GDAA COC(=O)[C@H](Cc1cncs1)NC(=O)CN1CCS[C@H]2CCCC[C@@H]21 1875327887 ONHWQRVOTLVHOH-KKUMJFAQSA-N 383.539 1.703 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C2(CC2)CO1 1875324703 JOLHCGDTSDMBQT-BXUZGUMPSA-N 376.434 1.724 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2nnc(C)o2)cc1 1875312584 FIIBDFZZVGCCNS-UHFFFAOYSA-N 388.405 1.957 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3nccn3C(C)C)C2)c1C 1875301252 HITRSLXAAZWOIP-MRXNPFEDSA-N 385.516 1.941 0 50 GDAA Cc1cc(C)cc(C(=O)N2NC(=O)C[C@@]23CCCN(CCn2cncn2)C3)c1 888103712 UYRYKYAZBYSPGJ-HXUWFJFHSA-N 382.468 1.307 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)no1 1782580934 GNWJSQKQAOZRNT-LJQANCHMSA-N 396.407 1.012 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2cscn2)CC[C@H]1O)c1cc(C2CC2)[nH]n1 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CCC(=O)N1CCC(NC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)CC1 584900731 PLOUKLVCJHJDFA-CQSZACIVSA-N 375.473 1.425 0 50 GDAA C[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)CSc1nnc(N)s1 952986905 GSYBRTYTAAWUNW-NSHDSACASA-N 377.495 1.472 0 50 GDAA O=C([C@H]1CCc2ccccc21)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952982604 PUZSHFQYWKCCMA-IBGZPJMESA-N 391.537 1.981 0 50 GDAA O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N1CCN(Cc2nc[nH]n2)CC1 952983474 FMRXOFDOPBBZFO-IBGZPJMESA-N 386.475 1.815 0 50 GDAA CN(CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1)Cc1ccncc1 1565507432 WSQPSGCBKRTOAR-IRXDYDNUSA-N 376.482 1.460 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1n[nH]c2c1CCCC2 1565526094 IIVGMWOLUMXMTD-KGLIPLIRSA-N 380.452 1.455 0 50 GDAA NC(=O)N[C@@H](CO)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 270788925 LNJDVJXXGHYHCN-RYUDHWBXSA-N 380.203 1.062 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CCc4[nH]ncc4C3)CC2)cc1 270209042 LEQQZNRWLNUJAG-QGZVFWFLSA-N 396.491 1.827 0 50 GDAA COc1nc(C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc2ccccc12 276424686 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Cn1cnnc1-c1cccc(NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 363330194 ZAEZDAGZMKIYQJ-FQEVSTJZSA-N 390.403 1.789 0 50 GDAA O=C(O)[C@@H]1c2[nH]cnc2CCN1Cc1cccc(OCCN2CCOCC2)c1 72463420 CADHHKUHJRZVAT-IBGZPJMESA-N 386.452 1.305 0 50 GDAA CCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3N3CCCC3=O)CCN2C1=O 363964121 VJOUTVOCHSXFQS-OAHLLOKOSA-N 385.424 1.314 0 50 GDAA NC(=O)c1csc(N2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)n1 72478180 MMBCDEMONSJIMI-LBPRGKRZSA-N 382.436 1.593 0 50 GDAA CCc1nc(CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)no1 71497822 VPGQXJMEKFKLDB-UHFFFAOYSA-N 379.424 1.446 0 50 GDAA O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 223166783 WGHNPTKOIDFOCW-CYBMUJFWSA-N 380.383 1.675 0 50 GDAA CCc1n[nH]c(SCC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)n1 82098703 DQHUUGYIBFFLGC-UHFFFAOYSA-N 375.454 1.343 0 50 GDAA CNc1ncc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1 426373869 VGGMFAVBSHPRDQ-OAQYLSRUSA-N 385.512 2.553 0 50 GDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 426647031 INOBVDUSWPBMPD-GOSISDBHSA-N 388.560 1.993 0 50 GDAA Cc1nc2cc(C(=O)N3CC[C@@](O)(CN4CCOCC4)C(C)(C)C3)ccc2[nH]1 91269979 SFDZLVNBERLVEJ-OAQYLSRUSA-N 386.496 1.807 0 50 GDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ccccc2F)CC1 96166526 YYLYJNXXNIVWOD-UHFFFAOYSA-N 387.459 1.806 0 50 GDAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)ccn1 95522768 BOKHXVQSYNBJQN-UHFFFAOYSA-N 397.479 1.530 0 50 GDAA C[C@H](CO)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95519939 YVERJKLJBZOCMV-LLVKDONJSA-N 390.889 1.253 0 50 GDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91907580 UADIAEQZTMNREZ-GOSISDBHSA-N 386.496 1.191 0 50 GDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(C2CCOCC2)C1 91664830 CZJURMRMHMFQSC-OAHLLOKOSA-N 384.480 1.773 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1cnc(Nc2ccccc2)nc1)N1CCOCC1 92021298 LISHRYPYYRASKV-KRWDZBQOSA-N 381.436 1.684 0 50 GDAA CCn1c(O)nc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)ccc2c1=O 299752464 UESVQQOWFIDZLP-QGZVFWFLSA-N 393.399 1.774 0 50 GDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3ccncc3)N=C2O)cc1 253535827 GJICCXHZWIZISV-QGZVFWFLSA-N 382.420 1.464 0 50 GDAA CN(CC(=O)NCC1CCN(C(=O)c2cccc(O)c2)CC1)Cc1ccncc1 952979852 AULKQEMFSFNADP-UHFFFAOYSA-N 396.491 1.888 0 50 GDAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cccc(OCC(N)=O)c2)c1 952973087 KDQMLDNVPOGDBE-UHFFFAOYSA-N 384.436 1.612 0 50 GDAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCC(N2CCC(C(=O)O)CC2)CC1 952865642 TYBLDXHIHRWLEJ-GOSISDBHSA-N 390.480 1.522 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(c1ncccn1)CCN2Cc1ccc2occc2c1 1565509090 ULFPVYXOPGXQPA-SJORKVTESA-N 384.461 1.711 0 50 GDAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2nn[nH]c2c1 1565526213 UWAXMQGDZAZJEX-CJNGLKHVSA-N 376.420 1.730 0 50 GDAA CC(C)c1nc(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)nc(N(C)C)n1 185510408 BAJZODOQOBWIDG-KRWDZBQOSA-N 398.511 1.943 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCc4nc[nH]c(=O)c4C3)cc(Cl)c2O1 170685865 VYPOXQZQPVJQPY-SECBINFHSA-N 381.841 1.494 0 50 GDAA COC(=O)CN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 170601741 LAIYUQBUTJLZNZ-UHFFFAOYSA-N 390.358 1.324 0 50 GDAA C[C@](O)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1cccc(Cl)c1 189766306 PZWAKBAUAUWRMP-IBGZPJMESA-N 388.855 1.309 0 50 GDAA CN(C)CC(=O)Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)CC2)cc1 1506421447 JPFKBQUTLVCYOG-UHFFFAOYSA-N 395.507 1.930 0 50 GDAA COc1ccccc1-c1ncc(CNC(=O)c2c[nH]nc2-n2cnnn2)s1 1506396472 AWDUDCZVISUFAO-UHFFFAOYSA-N 382.409 1.448 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccnn1C1CCN(C)CC1 1506423047 SDVNPJLHNLSMBE-UHFFFAOYSA-N 382.472 1.776 0 50 GDAA Cc1ccc(F)c(NC(=O)CN2CCCN(C(=O)c3cnn(C)c3C)CC2)c1 1529180210 DBAYLBUEZXMUIF-UHFFFAOYSA-N 387.459 1.963 0 50 GDAA C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 13629555 KEJLIXOIQLDOLK-PXAZEXFGSA-N 393.399 1.289 0 50 GDAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(=O)N1CCCCCC1 13669890 AOSPAXJOXHYJAN-UHFFFAOYSA-N 383.514 1.551 0 50 GDAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 14538302 DDKQXGFXSXIPJF-WOJBJXKFSA-N 389.540 1.935 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c(=O)n1 1857720658 DNLCVDYDMFAWPR-ICSRJNTNSA-N 384.480 1.390 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@H]1O 1857722246 SSVSVGDPLXOFEC-DZGCQCFKSA-N 395.506 1.134 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCn1cnc3ccccc31)C2 247506785 HFGWJOSQIMOTKV-CABCVRRESA-N 376.482 1.309 0 50 GDAA CCCCc1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc1 248148550 APKMFEQCWAZBMY-HKUYNNGSSA-N 380.510 1.807 0 50 GDAA C[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)C1(S(C)(=O)=O)CC1 935937936 DTVYBMVFRUAABF-SNVBAGLBSA-N 393.431 1.863 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(-c5ccncc5)nn4)cc3C2=O)C(=O)N1 1875355145 BFIYVVDHQSEEPC-KRWDZBQOSA-N 388.387 1.090 0 50 GDAA CC(=O)N1CC2(C1)[C@H](C(=O)NCc1ccc3[nH]c(C)cc3c1)CCS2(=O)=O 1875396002 SEVHCYTUILVYTE-INIZCTEOSA-N 389.477 1.128 0 50 GDAA CC[C@@H](O)c1cn(Cc2ccc(C(=O)N(CCO)Cc3ccccc3)o2)nn1 1875317842 KFSSUGIUJBXWGD-GOSISDBHSA-N 384.436 1.998 0 50 GDAA COc1ccn2c(CN3C[C@H]4COCC[C@@]4(C(=O)N4CCCC4)C3)cnc2c1 1875397396 YPWFLXALBYXGDK-HRAATJIYSA-N 384.480 1.804 0 50 GDAA COCc1ccsc1C(=O)N[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 1875344620 NGISXXPUUJICPE-ZIAGYGMSSA-N 379.482 1.188 0 50 GDAA Cc1cc(C(=O)N2CCc3c(cnn3C)[C@@H]2C(N)=O)c(Br)s1 1875395545 DIIBOKJZLSGQMH-LLVKDONJSA-N 383.271 1.777 0 50 GDAA COC(=O)[C@H](CS(=O)(=O)N1C[C@H](C)[C@@H](C)C1)NC(=O)OCc1ccccc1 888096609 CNPYPGGRTQRWOT-DZKIICNBSA-N 398.481 1.372 0 50 GDAA N[C@H]1CN(C(=O)CCCOc2ccccc2Br)CC[C@@H]1C(=O)O 2325759914 ZOPSRSXBUHLUPJ-AAEUAGOBSA-N 385.258 1.869 0 50 GDAA COC(=O)[C@@]1(NC(=O)c2ccc3c(c2)CC[C@H](N)C3)COc2ccccc2C1 2325808618 KLZCHMSYLFBWLM-AVRDEDQJSA-N 380.444 1.779 0 50 GDAA CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc(C)cc2)S1 859536 XBHVHJCDWIQAFH-INIZCTEOSA-N 383.495 1.877 0 50 GDAA CC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 863348 MKKDDUKGPHHEAZ-UHFFFAOYSA-N 392.868 1.817 0 50 GDAA COc1cccc(C[C@@]2(C(=O)O)CN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2O)c1 2356151701 UXFJLMNHLLZRBD-LAUBAEHRSA-N 399.447 1.428 0 50 GDAA CCc1cnc(C)nc1N1CCN(C)[C@@]2(CCC(=O)N(CCOC)CC2)C1 107401668 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CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2cncn2)CC1 120807964 YFOQLYKWORDYGH-LJQANCHMSA-N 380.452 1.670 0 50 GDAA Cn1cc(-n2cc(C(=O)Nc3nc(-c4cccs4)nn3C)ccc2=O)cn1 448399721 IBMGGEWEWOXZPU-UHFFFAOYSA-N 381.421 1.680 0 50 GDAA CC(C)CCn1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCOCC2)nn1 376421087 MQRQUAKBTDKDRL-INIZCTEOSA-N 393.488 1.788 0 50 GDAA CNC(=O)C1(C)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 215542155 AKMWFWSCVJAPKW-UHFFFAOYSA-N 375.513 1.746 0 50 GDAA O=C(NCCC(=O)N1CC[C@@H](C(=O)O)C1)c1cc(F)ccc1Br 237947985 DZWFAFLVHNTXIN-SECBINFHSA-N 387.205 1.641 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 72161600 HGEOVAUVOUTCCJ-KRWDZBQOSA-N 389.475 1.897 0 50 GDAA CC1(Cn2cc(C(=O)NCc3ccncc3OC[C@@H]3CCOC3)nn2)COC1 377115876 FFZAMRCTFKGYGB-CQSZACIVSA-N 387.440 1.055 0 50 GDAA CN(Cc1cnccn1)C(=O)C[C@H]1COCCN1C(=O)NCc1cccs1 72477005 OXHGTRQRFLTLRB-HNNXBMFYSA-N 389.481 1.497 0 50 GDAA CC(C)(NC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C(N)=O 71715300 ZMJQMEAFHYJWFZ-QGZVFWFLSA-N 387.528 1.138 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cccc(OC(F)F)c1)CC2 95391051 BJXSTPYWCAFNGR-ZDUSSCGKSA-N 382.363 1.826 0 50 GDAA CN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 95510857 XVSSJNQJTLUDCF-UHFFFAOYSA-N 385.468 1.989 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccccc2OC(F)F)CC1 95530472 SDDJRWAORJQTTI-UHFFFAOYSA-N 378.379 1.990 0 50 GDAA CC(C)[C@@H]1CN(Cc2sc(N(C)C)nc2Cl)C[C@H]1NS(C)(=O)=O 95500317 GJZMOGQZCKRTLO-WDEREUQCSA-N 380.967 1.868 0 50 GDAA Cc1cc(C)n(CCNC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)n1 253395013 WGGDBGYGDBQMNP-QGZVFWFLSA-N 383.452 1.721 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1ccc2c(c1)OCO2 266338013 LPQWFIFWSYUSPP-CQSZACIVSA-N 391.449 1.769 0 50 GDAA Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)Cc4cc[nH]n4)[C@H]3C)C2=O)no1 1940194701 HUGRDAZPVRCSRC-DJJJIMSYSA-N 386.456 1.464 0 50 GDAA NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cc3ccccc3s2)C1 670442290 MCKFOKXOJWBPQZ-AWEZNQCLSA-N 381.523 1.767 0 50 GDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(C(F)F)[nH]n1 952973678 UYYVLWWUAIDQGX-UHFFFAOYSA-N 380.351 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C=CC(=O)N1CCCc2cc(C(=O)N3C[C@@H](F)C[C@H]3CS(C)(=O)=O)ccc21 1875303175 ZQFZWVBJOWCZFR-HOTGVXAUSA-N 394.468 1.749 0 50 GDAA CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@](C)(C(F)F)C2)C1=O 888101621 IWJYOFZXURXSSC-YVEFUNNKSA-N 385.415 1.464 0 50 GDAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1 2396994 FIMKJJYPKOMVTD-UHFFFAOYSA-N 397.435 1.135 0 50 GDAA COCC1(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCCC1 2100545517 UHGWPVCTXHVSMR-MOPGFXCFSA-N 387.480 1.836 0 50 GDAA CC1=NO[C@@](C)(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSc3cnn(C)c3)C2)C1 2325865643 KKBABCSUYYRNCC-JKIFEVAISA-N 397.476 1.122 0 50 GDAA CS(=O)(=O)C[C@@H](O)CNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 2325875024 DPCSOAAVKOVWNF-GXFFZTMASA-N 376.862 1.258 0 50 GDAA O=C(COc1ccccc1)O[C@@H]1OCCO[C@H]1OC(=O)COc1ccccc1 638585 QFEDOIHKPVKTLK-PMACEKPBSA-N 388.372 1.930 0 50 GDAA O=C1NC[C@@]2(CCCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C2)O1 2356135329 ZKXFRWZLOZRKHQ-GOSISDBHSA-N 391.493 1.614 0 50 GDAA C[C@]1(O)CCOC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)C1 2356155624 KHDPMFMXZZRDCN-SFHVURJKSA-N 381.494 1.773 0 50 GDAA COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC2 2356169387 ADXQXEUYMLVYOT-OAHLLOKOSA-N 380.466 1.498 0 50 GDAA Cc1ccccc1OC[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 56860611 RBFICZVCDCBDNX-GOSISDBHSA-N 388.512 1.712 0 50 GDAA CCCN1CC[C@@H](CNC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 249518844 UANSMLDMMZVOTD-UNMCSNQZSA-N 388.556 1.997 0 50 GDAA CCN(CCN(C)C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67562737 CEPPFZNLGJJKFB-INIZCTEOSA-N 376.501 1.386 0 50 GDAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cnc(N3CCOCC3)nc2)n1C 328648984 UVKIOBGWDNRQCN-GOSISDBHSA-N 398.511 1.739 0 50 GDAA NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 123321650 LZHTVLPBGWZUSL-UHFFFAOYSA-N 397.453 1.475 0 50 GDAA CO[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cncc(F)c3)c2)C1 215156949 LSHRTVRQNVEVBN-OAHLLOKOSA-N 379.413 1.882 0 50 GDAA Cc1nnsc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77353466 GZDUBSQGJAHUPG-NASWQRNTSA-N 376.482 1.385 0 50 GDAA O=C(CN1CCCC1=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 72151536 KKJASSVSXLLZDX-ZDUSSCGKSA-N 383.370 1.545 0 50 GDAA O=C(C[C@@H]1COCCN1C(=O)c1cnc(-c2cccs2)nc1)NCCF 72150517 JYBZEESJELEOBA-CYBMUJFWSA-N 378.429 1.522 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 448013084 LPWOQDRRIWRENU-OGHNNQOOSA-N 383.470 1.395 0 50 GDAA CNC(=O)CCN1CCn2nc(CN3CCO[C@@H](c4ccccc4)C3)cc2C1 229848309 MMXFNDJBYJVHTR-HXUWFJFHSA-N 383.496 1.408 0 50 GDAA CCc1nnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)s1 426697266 CLHBLITVTSTMOX-HNNXBMFYSA-N 387.509 1.416 0 50 GDAA O=C(NCCN1CCN(c2ncccn2)CC1)Nc1ccc2ncccc2c1 95513151 JABWXTUWTXFODV-UHFFFAOYSA-N 377.452 1.969 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95512262 ILEJTEHHTVISJB-INIZCTEOSA-N 379.468 1.960 0 50 GDAA c1cn(-c2ccc(Oc3nnn[nH]3)cc2)c(-c2cn(C3CCNCC3)nn2)n1 91326010 NZSDMKVESUFOOK-UHFFFAOYSA-N 378.400 1.361 0 50 GDAA COc1cccc([C@H]2CN(C(=O)CCn3cncn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95503212 KYCBCACJIZIUKJ-HMXCVIKNSA-N 381.480 1.766 0 50 GDAA Cc1cnn([C@@H](C)C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 92022858 HTVZCTXKLRHUIN-KRWDZBQOSA-N 375.517 1.545 0 50 GDAA O=C(CN1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1)N1CCCC1 299252424 MWBVSFBSSQTZHI-OAQYLSRUSA-N 398.551 1.808 0 50 GDAA Cc1nc(CNC(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)no1 534634319 XMRZMNMGBRRLLK-UHFFFAOYSA-N 383.452 1.885 0 50 GDAA Cc1ccc(NCCCNC(=O)N2CCCN(C(=O)c3ccco3)CC2)nc1 368901174 SCRDCXBMLLRYHH-UHFFFAOYSA-N 385.468 2.343 0 50 GDAA Cc1cc(C)n2c(CN[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cnc2n1 185154439 SFTJNCBWYNFMGO-FQEVSTJZSA-N 393.491 1.906 0 50 GDAA C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](Cc2ccccc2)C(=O)O)C1=O 268900743 DIMPXIUTJASRSH-HOCLYGCPSA-N 382.416 1.860 0 50 GDAA Cn1ccn2ncc(C(=O)NCC3CCN(C(=O)Cc4cccs4)CC3)c12 1506401602 KCXMXWKJNFXZDS-UHFFFAOYSA-N 385.493 1.945 0 50 GDAA COc1ccc(NC(=O)N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1Cl 1800412247 WSDWNVZPDPTAOQ-CQSZACIVSA-N 394.859 1.693 0 50 GDAA COCC(=O)N[C@]1(C)CCOC2(CCN(c3ccc(Cl)cn3)CC2)[C@H]1O 1772708158 DHBBEWYBQNHOEO-DLBZAZTESA-N 383.876 1.377 0 50 GDAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)NC(CO)CO)C(=O)OC2 1857529665 KBFLEVUNQZRNDT-UHFFFAOYSA-N 393.436 1.118 0 50 GDAA O=C(CCCn1cncn1)NC[C@@H]1CCC[C@H](NC(=O)c2ccc(O)nc2)C1 1857668038 OHDMFAGGEJSUCY-ZBFHGGJFSA-N 386.456 1.264 0 50 GDAA Cc1noc(CN2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)n1 1857681853 PBCLKXZLJUNWJE-LJQANCHMSA-N 386.456 1.190 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cn(C)c4ccccc34)C[C@H]2CO1 1857689938 PLYQJHDOUZWZAG-PMPSAXMXSA-N 384.480 1.228 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCc2cn[nH]c2)cn1 1857720059 CDMGXQUDTDLEJM-ICSRJNTNSA-N 386.500 1.530 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)C2)s1 329731231 GPKJIFKNZJIEAH-YHUYYLMFSA-N 398.550 1.687 0 50 GDAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 136115450 HHAXQHYEHUKTFH-JKSUJKDBSA-N 376.428 1.930 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 151857201 AVEXCCSMIDLWFF-LBPRGKRZSA-N 383.857 1.481 0 50 GDAA C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)N(C)C 264916003 OLLKYFGVICZWIA-DGCLKSJQSA-N 383.395 1.486 0 50 GDAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)NS(=O)(=O)C[C@H]1COCCO1 1875265721 RACCNBZNOKYWFW-GDBMZVCRSA-N 385.482 1.829 0 50 GDAA O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@]1(CO)CCCO1)c1ccccc1 1875329354 RNNRLOOSJQICIW-SIKLNZKXSA-N 382.460 1.685 0 50 GDAA Cc1nc(C(=O)N(C)C2CCC(O)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404166 XMGJRSQYFQXMLZ-AQFXKWCLSA-N 375.517 1.609 0 50 GDAA Cc1nc(C(=O)N2CCc3c(C)noc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403997 OZFGAJNIWZYFMF-OAHLLOKOSA-N 384.484 1.729 0 50 GDAA CO[C@@H](CS(=O)(=O)Nc1cc(O)cc(Br)c1)[C@@H]1CCOC1 888102226 PFXUURYGAVCJLM-RNCFNFMXSA-N 380.260 1.948 0 50 GDAA COCC1(C(=O)N2CCO[C@@](C)(CNC(=O)CCc3cscn3)C2)CCC1 1775991164 HZSQHVWVQIJAFU-SFHVURJKSA-N 395.525 1.626 0 50 GDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCOc2ccccc2C1 2100534632 QVHAKPCMDHUSAX-RTWAWAEBSA-N 393.443 1.934 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)c(C)n23)n(C)c1=O 8725392 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COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3noc(C(C)C)n3)CC2)C1 71759909 HJUXXPZONLXTKG-INIZCTEOSA-N 393.532 1.632 0 50 GDAA Cc1nc(CCC(=O)N2CC[C@]3(CCCN(Cc4cccnc4)C3=O)C2)n[nH]1 426571577 HLAVXGZQMUTCMD-HXUWFJFHSA-N 382.468 1.482 0 50 GDAA CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 239761329 CJOQZPBGDBBPFM-HOTGVXAUSA-N 394.493 1.240 0 50 GDAA COc1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc(N)n1 95362306 GBCYEVPQCHFOOA-CQSZACIVSA-N 375.473 1.455 0 50 GDAA CCS(=O)(=O)CCN(C)C(=O)NCc1cnn(-c2ccccc2OC)c1 426685281 KHHRDXJDCMESPB-UHFFFAOYSA-N 380.470 1.457 0 50 GDAA CC1(C)SC[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)NC1=O 97394525 LQFBXGYAHYSMBD-HNNXBMFYSA-N 375.494 1.418 0 50 GDAA O=C1CCC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)CN1CCc1c[nH]cn1 91255754 WQYPIZSSDHUGRX-FQEVSTJZSA-N 396.491 1.917 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)CCC(=O)N(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95382714 YHOMCLFXNRJERY-VLCRHTCISA-N 385.508 1.952 0 50 GDAA CC(C)c1nnc(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 95506442 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COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 190832190 WOXQJLZFRNSXPD-SFHVURJKSA-N 392.525 1.949 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)n2)c1 1704299736 SCBXHNMCWXPFFS-IJEWVQPXSA-N 381.484 1.852 0 50 GDAA COc1c(S(=O)(=O)N2CC[C@@]3(CNC(=O)CO3)C2)ccc(Cl)c1Cl 1772816536 UADRAAJCTXQKID-CQSZACIVSA-N 395.264 1.282 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@@H]3CN(Cc4cccnc4N)C[C@@]3(CO)C2)cc1 1772815810 XXMCHKGYWKCHTJ-AVRDEDQJSA-N 396.491 1.304 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12074309 VNKOXACDERDTBX-QGZVFWFLSA-N 387.452 1.586 0 50 GDAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)C2=NNC(=O)CC2)C1 14981434 VJAKXYXFYCRNDY-MRXNPFEDSA-N 386.496 1.674 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(-c2ccccc2)no1 15074474 IQKUEZWWSKCNBT-MRXNPFEDSA-N 385.468 1.242 0 50 GDAA Cn1nc(C(=O)NCCN2CCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 19143582 MSPNZYKILWMDKK-MRXNPFEDSA-N 385.512 1.876 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNc2nccc3c(Br)cncc23)N1C 1857530644 OHWGONYWJJWPGY-BZNIZROVSA-N 381.274 1.886 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N(CC)Cc3ccncc3)CC2=O)s1 1857673001 LJCLVKKPVRIIRJ-AWEZNQCLSA-N 389.481 1.871 0 50 GDAA Cn1cc(-n2ccnc2-c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cn1 1857683128 CUWXMRGOOJKWNZ-SFHVURJKSA-N 381.436 1.947 0 50 GDAA COc1ccc(CN2CCC3(CC2)CNC(=O)CCO3)cc1Cn1cccn1 1857730913 CAZGNWJGJAFZCN-UHFFFAOYSA-N 384.480 1.811 0 50 GDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cnc(N4CCOCC4)nc3)CC2)O1 1857731302 PBGVHJNKOFBFDP-RTBURBONSA-N 390.528 1.844 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc2C[C@H]1C 328634204 SZZZIYDHRFOFDY-HIFRSBDPSA-N 388.493 1.722 0 50 GDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC[C@@H]1O 1704299145 NYZYNNAAKXERFP-RDJZCZTQSA-N 387.454 1.330 0 50 GDAA O=S(=O)([C@@H]1CCO[C@H](C(F)(F)F)C1)N1CC(O)(c2cccc(F)c2)C1 1875397051 JDFNFLOIXUJISO-OLZOCXBDSA-N 383.363 1.769 0 50 GDAA Cc1nn(-c2ccccc2F)cc1CN[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1875397665 JKSBVFWJIGWXAV-HNNXBMFYSA-N 398.442 1.488 0 50 GDAA O=C1CCc2cc(C(=O)C(=O)NCCn3c(O)nc4ccccc43)ccc2N1 2325703430 WQSVQKXEBVUQCJ-UHFFFAOYSA-N 378.388 1.626 0 50 GDAA CCC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)Cc1cnc(C)s1)CCO2 2325785403 WUORNFYIDQVHTM-UHFFFAOYSA-N 399.538 1.790 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1nc2ccccc2[nH]1 824570 GZILGPURVIYTSB-UHFFFAOYSA-N 375.186 1.110 0 50 GDAA COc1cc(-c2onc(N3CC[C@@](O)(CN(C)C)C3)c2C(=O)O)ccc1F 2356135357 APHJTSYGTCSTIF-GOSISDBHSA-N 379.388 1.690 0 50 GDAA COCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 2865959 BKNYJKWSCRRBNA-JTQLQIEISA-N 379.276 1.269 0 50 GDAA CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 3956818 NXGXFAKJUWEFEC-VXAPCQRLSA-N 399.443 1.908 0 50 GDAA in-vitro C[C@H](CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)Cn1cccn1 225454318 BISDCNUODRCDFA-UWWQBHOKSA-N 386.500 1.757 0 50 GDAA COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)OC)s2)c(F)c1 225464734 OTFUFPLCKYTAGK-UHFFFAOYSA-N 388.398 1.965 0 50 GDAA Nc1nc(CN2CCN(c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1 54274703 IZQNLVLCDIJQHF-UHFFFAOYSA-N 389.891 1.266 0 50 GDAA O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCn2cnnc2C1 111834194 QMGQTDJYRKZNRG-UHFFFAOYSA-N 376.411 1.746 0 50 GDAA NS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621291 DUKVYFMXNWMNII-UHFFFAOYSA-N 385.401 1.163 0 50 GDAA Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1C 10104925 XLZKWXBEMUABPQ-UHFFFAOYSA-N 383.452 1.438 0 50 GDAA CCc1csc(CNC(=O)c2ccc(N3Cc4cnn(CCO)c4C3)nc2)n1 67822193 MLVYWRRRGJAQJD-UHFFFAOYSA-N 398.492 1.740 0 50 GDAA Cn1cc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccnn3C)s2)nn1 20119230 XYOQTIWJXQAVGL-NSHDSACASA-N 385.453 1.840 0 50 GDAA C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)NCC1CN(S(C)(=O)=O)C1 422175790 GSEIRLXXZOWXSZ-SFHVURJKSA-N 383.489 1.824 0 50 GDAA COc1ccc(CNCCCSC)cc1OC[C@@H](O)CN1CCN(C)CC1 22926041 MQNKUHVHEAGLNN-SFHVURJKSA-N 397.585 1.525 0 50 GDAA COC(=O)[C@@H]1N[C@H](c2ccccc2C)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 65507115 ANNAXXUVJHQQDM-FCGDIQPGSA-N 378.428 1.982 0 50 GDAA O=C1NC(=O)C2(CC(C(=O)N3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)C2)N1 71767833 PULPOOLACGYMNN-LJPAYWBRSA-N 394.475 1.063 0 50 GDAA CCCN1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77376079 AYHLESXFBYSBBW-MSOLQXFVSA-N 388.493 1.410 0 50 GDAA CC(C)N(CCC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71749915 ULZUCBUVNYCUEP-OAHLLOKOSA-N 390.484 1.088 0 50 GDAA O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 376488371 PEDBIQUFIKZOLY-AEFFLSMTSA-N 379.501 1.757 0 50 GDAA Cc1cccc(CN2CCC(N3CCC(C(=O)N[C@H]4CCOC4)CC3)CC2)n1 71762054 MUOBBAVCNAYZIO-FQEVSTJZSA-N 386.540 1.972 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ccc(Cl)nn3)CC2)C1 71712027 DKGRTQFPWBPDQX-CQSZACIVSA-N 381.908 1.573 0 50 GDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOC[C@H]1c1ncnn1C 284638975 VPXVZFDNCCTTCG-ZDUSSCGKSA-N 386.378 1.333 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)NCC2=CCCOC2)c(OC(F)(F)F)c1 287015131 GAGKUDNYBKPYJG-UHFFFAOYSA-N 381.328 1.908 0 50 GDAA Cc1nnnn1-c1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 91848152 PTBUOLJTHNYQPW-NRFANRHFSA-N 394.479 1.978 0 50 GDAA CSCCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)c1 244646873 GQQBKOLXMWXSPZ-SHTZXODSSA-N 386.539 1.703 0 50 GDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1cnc2ccccn2c1=O 952871695 BKWZUPYZQCYFQI-XFKLWTPLSA-N 390.447 1.764 0 50 GDAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1 952984602 XGZHMFPCFMFQBS-LBPRGKRZSA-N 388.467 1.749 0 50 GDAA Cn1ccnc1CCN1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 952983454 FGRXFOGZQQOYAS-LJQANCHMSA-N 384.480 1.631 0 50 GDAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1 408525198 PCEHINKHSPKEMY-LBCSOOOPSA-N 399.472 1.724 0 50 GDAA COc1ccc(Cl)cc1CC(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 276504030 POYVZZAIJBKMCN-HNNXBMFYSA-N 389.887 1.996 0 50 GDAA O=C(NCC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 170658072 UTKUGZXHJBGPSJ-KRWDZBQOSA-N 381.476 1.750 0 50 GDAA CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 170617053 DIRNOKWSHZPOAB-BIGNPOOSSA-N 393.292 1.780 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](CO)[C@H](c4ccsc4)C3)cc12 188884105 FZCIHEZBLGANRE-BBRMVZONSA-N 392.506 1.735 0 50 GDAA COc1cc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@@]3(CO)C2)ccc1F 1772803939 BBCVPGFLZMFNSO-AUUYWEPGSA-N 391.468 1.857 0 50 GDAA Cc1nc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)cs1 11999674 RBCWVGFSPHLXJL-UHFFFAOYSA-N 384.465 1.745 0 50 GDAA CC(=O)NCCNCc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 12431511 IWCAFQSSFZLAKE-JOCHJYFZSA-N 397.519 1.710 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CC1CCOCC1 12432776 TZNKODGIFRQWNW-GOSISDBHSA-N 389.496 1.271 0 50 GDAA CC(=O)NCCNCc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 12573596 DAUSBFPCMAQLOQ-JOCHJYFZSA-N 397.519 1.710 0 50 GDAA COc1ccccc1C(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 13008892 BFFQZCSNBJSBLF-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CN(CC1(N2CCOCC2)CCCCC1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 19741820 LAYMVLUKVTUKSX-QGZVFWFLSA-N 377.529 1.881 0 50 GDAA CN(C(=O)[C@@H]1c2cnn(C)c2CCN1S(C)(=O)=O)C1CCC(C)(C)CC1 1857528028 WYOWFWMUKFNFAZ-INIZCTEOSA-N 382.530 1.706 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc4nn[nH]c4c3)C1)CC2 1857668037 XLTDWXZKYRPRRP-HXUWFJFHSA-N 393.451 1.640 0 50 GDAA O=C(c1nnc2n1CCCC2)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857671446 SCRWCZOGDMAAED-HXUWFJFHSA-N 381.436 1.504 0 50 GDAA Cc1noc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)n1 1857681851 PBCLKXZLJUNWJE-IBGZPJMESA-N 386.456 1.190 0 50 GDAA Cc1ccn(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)Cc2ccc3c(c2)OCO3)n1 1857694312 KIUATWZPRVFJES-IRXDYDNUSA-N 396.447 1.365 0 50 GDAA COC1(C(=O)NCc2cnc(C)cn2)CCN(c2ncc3c(n2)CCCC3)CC1 1857697588 XXTYJDWIJVLZKK-UHFFFAOYSA-N 396.495 1.756 0 50 GDAA Cc1ccc2cc(-c3nccn3C[C@@]3(O)CCNC3)c(N3CCOCC3)nc2c1 1857698521 VYJSRLWAVQSHNU-JOCHJYFZSA-N 393.491 1.968 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccccc4-c4nc[nH]n4)[C@@H]2CC(=O)N13 1857735810 BPWJULJQYGIYMH-YRNRMSPPSA-N 381.436 1.670 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(-n4nccn4)nc3)cn2)C[C@H](C)O1 915144875 GKPBAHLLWCJDMT-KBPBESRZSA-N 379.424 1.923 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)c3cc4n(n3)CCC4)C2)c1C 1875398063 ZHZYQLYCDXUMIJ-JKSUJKDBSA-N 397.527 1.867 0 50 GDAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1ncnc2ccc(N3CCOCC3)cc12 1875398906 IQJJLTLPRKIBRI-CDHQVMDDSA-N 394.479 1.915 0 50 GDAA CN(Cc1ccccc1)C(=O)CNC(=O)CNC1=NC[C@H](C2CCCCC2)N1 1875345172 UVAHDXDWCWPDLT-GOSISDBHSA-N 385.512 1.259 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)ccc1N1CCNC1=O 1875403268 RRIPTQZEYNDEIO-QGPMSJSTSA-N 383.452 1.291 0 50 GDAA Cn1nnc2c1CC[C@H](NC(=O)NCCc1nccn1Cc1ccccc1)C2 888093987 RZYRURDIDSEZKF-INIZCTEOSA-N 379.468 1.459 0 50 GDAA CN1CCN(c2cc(N[C@H]3CCC(=O)NC3=O)nc(-c3ccccc3)n2)CC1 1857797696 AYCUYYZUKWPWQN-HNNXBMFYSA-N 380.452 1.113 0 50 GDAA O=C(C[C@@H]1CN(C(=O)COC2CC2)C2(CCC2)CO1)N[C@@H]1Cc2cccnc2C1 2325785220 KOQUNICHGGDRDZ-SJLPKXTDSA-N 399.491 1.384 0 50 GDAA O=C(N[C@@H]1CCC[C@@H](NC(=O)[C@@]23C[C@@H](O)[C@@H]2C3)C1)c1c[nH]nc1C(F)(F)F 2325878073 DENRABRHHIMSBL-BSVUFNHISA-N 386.374 1.357 0 50 GDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1 779437 GIVIOUFRNYSYKO-UHFFFAOYSA-N 378.410 1.643 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356145295 KCQZFDYKIWQLNJ-ZSHCYNCHSA-N 377.466 1.947 0 50 GDAA COc1ccccc1OC(C)(C)C(=O)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356145717 SJWNWDILEHEISY-YOEHRIQHSA-N 379.453 1.356 0 50 GDAA CCNC(=O)N1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1cccc(OC)c1 101489061 HYXVAKFIZAAKMH-YESZJQIVSA-N 388.468 1.865 0 50 GDAA CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccco3)CC1)OCO2 54254308 ADGVXFOOPQEOTD-UHFFFAOYSA-N 399.403 1.607 0 50 GDAA aggregator O=C(Cc1n[nH]c2ccccc12)N1CCn2nc(C(=O)N3CCCC3)cc2C1 67935123 QTKXGGXYCLDHOE-UHFFFAOYSA-N 378.436 1.580 0 50 GDAA Cc1cccc2nc(C(=O)NCc3cccnc3N3CCN(C)CC3)c(F)n12 67640987 SVJVCBNNGCWHQU-UHFFFAOYSA-N 382.443 1.859 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCC[C@H](O)C3)nc2)CC1 67868090 OSOILRFPAKBIOS-SFHVURJKSA-N 386.496 1.517 0 50 GDAA CCn1c(C2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)nn(C)c1=O 67909633 HGALPSFWOORRKL-UHFFFAOYSA-N 380.470 1.179 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1 65361812 NGTYNRWNVYMFEJ-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N(C)C[C@@H]3CCc4nccn4C3)cc12 328636483 VMMPTIBBHKTTRX-LBPRGKRZSA-N 375.454 1.865 0 50 GDAA Cc1ccn(-c2ccc(N3CCN(C(=O)COc4ccccc4)CC3)nn2)n1 77137470 AGKYNEPVAWENTE-UHFFFAOYSA-N 378.436 1.698 0 50 GDAA COCCN1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1=O 240897260 IRPFQVRBJQRTBD-LJQANCHMSA-N 388.512 1.541 0 50 GDAA CN1CCN(Cc2cccc(CN3CCN(C)C(=O)C3(C)C)c2)C(C)(C)C1=O 489331331 OHICWAVAERLQSO-UHFFFAOYSA-N 386.540 1.792 0 50 GDAA COC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(Cc3ccco3)C2=O)CC1 223226792 ZAJMSBCBDNAVLU-OAHLLOKOSA-N 391.424 1.282 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cncc(Cl)c3)C[C@H]2CCCO)CC1 95507970 ODZDUTFOARNOPH-QAPCUYQASA-N 380.920 1.586 0 50 GDAA CCS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 95524227 VBQUUFBYYKYSSZ-UHFFFAOYSA-N 382.482 1.352 0 50 GDAA O=C(CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1)NCc1ccccc1 95372915 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NC(=O)COc1cccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)c1 952971552 KFQTWOPTVUAOPG-UHFFFAOYSA-N 395.419 1.985 0 50 GDAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 952990897 JHXVTTISTNGTTO-UHFFFAOYSA-N 390.465 1.835 0 50 GDAA COc1ccc(S(=O)(=O)N(C)C[C@H](C)N2CCOCC2)c2c1CCCC2 952981115 ZDECUKMIETVUBO-HNNXBMFYSA-N 382.526 1.915 0 50 GDAA Cc1cnc(C(=O)N2CCOC3(CCN(Cc4nccn4C4CC4)CC3)C2)cn1 952971803 YBDZDLSDNSVFRM-UHFFFAOYSA-N 396.495 1.824 0 50 GDAA CN(CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1)Cc1ccccn1 1565511280 IUCBHJMSFKBHKM-IRXDYDNUSA-N 376.482 1.460 0 50 GDAA CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1 275215132 BJCPVCXPUYVHFE-CYBMUJFWSA-N 383.474 1.808 0 50 GDAA Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(CN2CCOCC2)cn1 170591024 MHAXCLNXBXPEGM-UHFFFAOYSA-N 396.451 1.048 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1Cn1cncn1 191538705 TYVWPHHMCLDRHM-LJQANCHMSA-N 393.422 1.996 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3CCCN(Cc4ccncc4)CC3)cc2)n1 1506418828 UAOVNCGYUQVAGY-UHFFFAOYSA-N 377.452 1.620 0 50 GDAA CCOc1ccccc1-c1nnc(NC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)o1 1529155313 QXFXOXFXPGWVEK-LLVKDONJSA-N 384.396 1.232 0 50 GDAA Cc1cnc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)cn1 1772815741 UVYSVZRKVOXJKB-OAHLLOKOSA-N 386.452 1.335 0 50 GDAA O=C(NCC1(O)CCCCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772804051 DTWYRGBUACQTFG-CQSZACIVSA-N 379.526 1.896 0 50 GDAA CC(=O)NCC(=O)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772807250 SQSNJQWTIHYLJE-UGKGYDQZSA-N 395.507 1.439 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@@H]3CN(Cc4cccnc4N)C[C@]3(CO)C2)cc1 1772815812 XXMCHKGYWKCHTJ-PGRDOPGGSA-N 396.491 1.304 0 50 GDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](N1CCN(C=O)CC1)C2 14741704 PDIGLNSKYZNMGY-QGZVFWFLSA-N 399.470 1.121 0 50 GDAA Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(C)C)C(=O)N2C1 14745672 PJFJFXGIOFGNGX-AEGPPILISA-N 378.860 1.894 0 50 GDAA Cc1nccc(-c2ccccc2)c1-c1nnn(CC(=O)Nc2cnn(C)n2)n1 19794593 BLTKNFKWAXOQNP-UHFFFAOYSA-N 375.396 1.478 0 50 GDAA COC(=O)c1cc(NC(=S)NCCCN2CCOCC2)cc(C(=O)OC)c1 19859230 GZSPGCUUEBHUAB-UHFFFAOYSA-N 395.481 1.269 0 50 GDAA COc1cccc(CN2CCOC3(CCN([C@@H](C)C(N)=O)CC3)CC2=O)c1 1857704956 MHAUARJNHNPYOG-HNNXBMFYSA-N 375.469 1.153 0 50 GDAA O=C(CCCn1cncn1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857710618 HMGSBEJCYSDFKH-QKLQHJQFSA-N 381.436 1.359 0 50 GDAA CCOCCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857716199 BCRQGEPIIFVCEU-FPOVZHCZSA-N 376.497 1.838 0 50 GDAA COCc1cc(CNC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)[nH]n1 1857716574 DCQVPXKOBBOENO-NSHDSACASA-N 385.449 1.835 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857724071 KVRLATNAQMTABN-NQIIRXRSSA-N 380.448 1.591 0 50 GDAA COc1cc(OC)c(C(=O)N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)cc1OC 1875246074 HMGRPDJMZAWICH-YLJYHZDGSA-N 393.436 1.790 0 50 GDAA C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](N)C1 132640651 IQCWUFHIGNFQPA-JQWIXIFHSA-N 375.288 1.419 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc2c(cn1)OCCC2 1254472063 VTCVOIPNOJYYMN-AWEZNQCLSA-N 390.465 1.832 0 50 GDAA CC(C)(C)OC(=O)CN1CC[C@@H](n2c(Cc3ccc(F)cc3)noc2=O)C1=O 1875319048 XVANWWVIOFZRRA-CQSZACIVSA-N 391.399 1.681 0 50 GDAA NC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2ccco2)C(F)(F)CC1 1875348140 YLTPBUHMUQWUJU-LLVKDONJSA-N 389.424 1.102 0 50 GDAA COc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c(C)n1 1875397930 UICIOGRMOHXNHS-QGZVFWFLSA-N 398.511 1.876 0 50 GDAA COC(=O)c1ccc2c(=O)n(Cc3nnnn3-c3cc(C)ccc3F)cnc2c1 1875340913 ZCJBQYRFCUHKCK-UHFFFAOYSA-N 394.366 1.655 0 50 GDAA CC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CC4CC(F)(F)C4)CC[C@H]32)CC1 1875328496 VIWKICPKMLFDPP-JKSUJKDBSA-N 398.454 1.427 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3CC3)C2)on1 1775962765 DETMYPRAVGHFAZ-HUUCEWRRSA-N 385.468 1.914 0 50 GDAA CN(C)CCOc1ccc2c(=NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[nH][nH]c2c1 2100557321 QJXUFCKMJGYGBI-CQSZACIVSA-N 399.495 1.655 0 50 GDAA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 1460431 CCTUFICWOFBBOP-SNVBAGLBSA-N 381.281 1.865 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCC[C@@H](CN2CCOCC2)C1 2356136358 RBBHWOFSTSLMER-SJORKVTESA-N 384.480 1.404 0 50 GDAA O=C(COc1ccc(C(=O)N2CCC[C@@]23CCCNC3=O)cc1)N1CCCCC1 2356138008 DYKVESRXYFFQSZ-JOCHJYFZSA-N 399.491 1.963 0 50 GDAA CNC(=O)c1ccnc(N2CC[C@@H](O)[C@](Cc3cccc(OC)c3)(C(=O)O)C2)c1 2356153348 CCEJXPOSQNKDSZ-DYESRHJHSA-N 399.447 1.335 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)cc2)n1 2356153591 NITGZXCDYDVQSP-SIKLNZKXSA-N 396.491 1.651 0 50 GDAA O=C(Cc1cn2ccsc2n1)N1CCc2nc(-c3cccnc3)nn2CC1 2356162416 BJPSPYPRVQUISQ-UHFFFAOYSA-N 379.449 1.677 0 50 GDAA O=C(NCC(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1OC(F)F 109679355 OKOKMVCHGHJPFA-LBPRGKRZSA-N 379.367 1.473 0 50 GDAA CCOC(=O)c1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc(C)c1C 8743188 BVPJCNYVWALYAL-UHFFFAOYSA-N 382.467 1.938 0 50 GDAA CCOCCn1c(=O)n([C@@H](CC)C(=O)NC(C)(C)C)c2cc(C(=O)O)cnc21 55100036 LHHOQUBKYDLLTD-ZDUSSCGKSA-N 392.456 1.799 0 50 GDAA CCn1c(C2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)n[nH]c1=O 67833821 FZRAOARLINXXQJ-UHFFFAOYSA-N 385.472 1.004 0 50 GDAA O=C(Nc1cnc2n1CCCC2)c1ccc(CN2CCS(=O)(=O)CC2)cc1 67920808 MUAZCHOSZFAZRE-UHFFFAOYSA-N 388.493 1.702 0 50 GDAA O=C(O)c1cn(C[C@H]2CCCN(c3ncccc3C(=O)N3CCCC3)C2)nn1 67678608 GNQIKDODXJGDOD-AWEZNQCLSA-N 384.440 1.524 0 50 GDAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 65365544 MZSMVFPMYIRVFE-CYBMUJFWSA-N 381.498 1.825 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)c1c(C)cc(C)nc1O)[C@@H](C(N)=O)C2 409413427 AQHCWPNCQLSXLO-CQSZACIVSA-N 385.420 1.474 0 50 GDAA O=C1N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1 67805677 XEPNVNXCDLZDOY-HXUWFJFHSA-N 385.443 1.555 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2nc(-c3cccs3)no2)CC1 67604837 SQTMSTLTLLLCTQ-UHFFFAOYSA-N 398.510 1.818 0 50 GDAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1)N1CCN(CCO)CC1 23340143 JARMBPMJBOHFKI-UHFFFAOYSA-N 398.385 1.758 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2cccc3nccn23)[C@@H]1c1cnn(C)c1C 328638333 WGZPZHLGTVXABQ-HRAATJIYSA-N 396.495 1.702 0 50 GDAA Cc1nn(CC(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)cc1Cl 2802769 SBLURQAHXQCZEB-UHFFFAOYSA-N 376.804 1.740 0 50 GDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCC[C@@H]1c1nnc2ccccn12 229729880 OMYQNAQXTBGTSP-RBSFLKMASA-N 381.436 1.568 0 50 GDAA COc1cccc(CN2CC3(CCN(CCCn4cnnn4)CC3)CC2=O)c1 77453719 KCCURPDNGKRPCG-UHFFFAOYSA-N 384.484 1.587 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 72157089 IICWLRVJAHVWEU-ZDUSSCGKSA-N 380.452 1.016 0 50 GDAA O=C(CCc1ccccc1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72481136 NCIUTBYWMSCAHI-UXHICEINSA-N 399.516 1.524 0 50 GDAA CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@H]1Cn1cncn1 363783186 JDKDTEHENWVQRN-KRWDZBQOSA-N 387.484 1.808 0 50 GDAA C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(S(=O)(=O)N(C)C)cc1 376644165 RHZHAIVHLZKXKC-AWEZNQCLSA-N 380.514 1.488 0 50 GDAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 14732398 OKJXTPFQKBHITL-IBGZPJMESA-N 394.475 1.931 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H](C)c1cnn(C)c1C)C2 284130271 UIYHAAFNAVKUSE-GFCCVEGCSA-N 391.497 1.466 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N3CCN(Cc4ccccn4)CC3)ccc21 174479649 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14971900 WDWMRUREGOTZBW-INIZCTEOSA-N 375.469 1.453 0 50 GDAA COc1cc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc(Cl)c1OCC(=O)O 1857669476 QMEBOUNJSDTSCZ-KPZWWZAWSA-N 399.827 1.735 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@H](C(=O)N2CCCCCC2)C1 1857671315 UBOWCHHFSQEHCN-GOSISDBHSA-N 390.528 1.847 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2cccnc2)cn1 1857685153 DCQYWLVEZNIVBO-FPOVZHCZSA-N 383.496 1.812 0 50 GDAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1cncc(F)c1 1857695720 VMQNWZQFAHMUEJ-KBPBESRZSA-N 377.397 1.175 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)COC[C@H]2CCCCO2)CC1 1857714759 KPSHDTBSWLSGGO-OAHLLOKOSA-N 375.469 1.883 0 50 GDAA CSCCN1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857726494 UMUMYAMHHHWGSG-ZDUSSCGKSA-N 397.570 1.522 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(CCCn4cccn4)C[C@]34CC[C@H]2O4)cn1 1857732462 RHFDTXLHPIOSBO-GPQLQYNLSA-N 395.507 1.886 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccc(=O)n(C)c2)cn1 1857734734 OVTUYOJOKUKKTL-ICSRJNTNSA-N 399.495 1.187 0 50 GDAA COCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccc(Cl)c3)[C@H]3CC[C@]2(C1)O3 1857735264 AQGUGXZNGSCSNG-WFXMFSGNSA-N 378.856 1.722 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c2c1CCNC2 1875292431 ICDWGLVOCRJCTO-IAGOWNOFSA-N 381.480 1.537 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1cnc(N(C)C)n1C)C[C@H](C)O[C@@H]2C 1875316189 ZJMMSDBFOBAHLE-QWHCGFSZSA-N 390.488 1.281 0 50 GDAA O=C(O)Cn1cc(CN2CCC[C@H]2C(=O)NC2(C3CCCCC3)CC2)nn1 1875355321 GZLASGUXAPXYAF-INIZCTEOSA-N 375.473 1.556 0 50 GDAA Cc1nc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C2(C)C)c(-c2ccccc2)o1 1875396441 HNMUSRRUBVKVGS-ZDUSSCGKSA-N 384.479 1.846 0 50 GDAA O=C(NCCNC(=O)c1nc(-c2ccc(F)cc2)no1)c1ccc2c(c1)OCO2 4770346 GMNBCDUIGDWRLQ-UHFFFAOYSA-N 398.350 1.764 0 50 GDAA CC(C)CCN1C(=O)[C@]2(CCN(C(=O)CCn3cnnn3)C2)c2ccccc21 2100547184 CVFCFYUVTVTTKQ-FQEVSTJZSA-N 382.468 1.626 0 50 GDAA Cc1cc(CC(=O)NCc2cc(CNC(=O)c3cccc(O)c3)ccn2)on1 2100555238 NKSMDSIUDMCVTP-UHFFFAOYSA-N 380.404 1.873 0 50 GDAA COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 2325760356 YSPCKYJNMDCLIB-RISOHXOYSA-N 387.436 1.400 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc(-n3cccc3)c(F)c2)ncn1 2325786115 BBOPOMYIRXFAQR-HUUCEWRRSA-N 396.426 1.358 0 50 GDAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cnc4c(F)cccc4c3)C2)c1 2325786193 PHHWXPIELAQQCX-YMRXKLBXSA-N 398.394 1.838 0 50 GDAA Cc1nc(C2CC2)cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 2325797423 SJOTWNZZXSJLTM-UHFFFAOYSA-N 381.484 1.616 0 50 GDAA O=C(Nc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CNCc2nccn2C1 2325856507 SDDOYKJBHHLOMZ-SFHVURJKSA-N 389.459 1.701 0 50 GDAA Cc1cn(-c2cccnc2)[nH]c1=NC(=O)C(=O)N1CC[C@@](N)(c2ccccc2)C1 2325859776 KAOZNNYBACXWDB-NRFANRHFSA-N 390.447 1.023 0 50 GDAA CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Br)cc1 1106999 YMYMGUSZRWHWQW-UHFFFAOYSA-N 387.255 1.979 0 50 GDAA NC(=O)Cc1nc([C@H]2CCCN(C3CCOCC3)C2)n(Cc2ccccc2)n1 2356134051 VPXKKMXFDVPDLE-KRWDZBQOSA-N 383.496 1.713 0 50 GDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C[C@H](O)CO)C3)[C@@H]3CCCC(=O)N23)c1 2356146542 KNJPDYABDYUZJI-JOTVOLILSA-N 388.508 1.292 0 50 GDAA COCc1cc(CNC(=O)[C@H]2CC[C@@H](OC)[C@H](N=c3[nH]nc(C)s3)C2)[nH]n1 2356148303 PWHAWMJKLODCNA-NILFDRSVSA-N 394.501 1.050 0 50 GDAA O=c1[nH]c(-c2ccc(S(=O)(=O)O)cc2)c(-c2ccc(S(=O)(=O)O)cc2)[nH]1 2810836 BALRYCCTLNTDTD-UHFFFAOYSA-N 396.402 1.530 0 50 GDAA CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(OC)cc1 2890212 AXOVXRZDHUNXCQ-UHFFFAOYSA-N 391.449 1.443 0 50 GDAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1)c1ccccc1 67974388 QXXXCTWRLJUYPJ-HXUWFJFHSA-N 399.495 1.934 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2nccs2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 65469431 UDLSXFUTGNHXGS-GXNBUGAJSA-N 399.472 1.911 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC(CCO)CC3)C2=O)c1 67473472 BRZJFYOJRLAWMX-OAQYLSRUSA-N 394.487 1.782 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3cc4ccccc4s3)nn2)CN1 67650381 HKWLKTBQWOHKBP-GJZGRUSLSA-N 398.492 1.414 0 50 GDAA COc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)ccn1 67433824 NAIUCDSATQTKKG-HNNXBMFYSA-N 379.420 1.984 0 50 GDAA Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H]3CCN(C(C)C)C3=O)cc2F)c1 125394295 ZRNFCIOAYJDOKY-OAHLLOKOSA-N 380.445 1.607 0 50 GDAA Cc1ncsc1CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 11873397 FSWIDCPYBZAFJG-HNNXBMFYSA-N 376.482 1.484 0 50 GDAA COc1cc(Cc2noc([C@H]3CCN(C)S3(=O)=O)n2)ccc1OC(F)F 351314088 AVWPQZNDOWMARX-GFCCVEGCSA-N 389.380 1.977 0 50 GDAA CN(C)c1ccc(NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cc1 67458665 VLLBIMDGKGZZEQ-UHFFFAOYSA-N 381.479 1.959 0 50 GDAA CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccsc2)N(C)C)C1 230136895 MXLUYVAKDVLUEN-GOEBONIOSA-N 387.571 1.919 0 50 GDAA COCc1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1F 172066004 UWYNSRBJQXDDGM-UHFFFAOYSA-N 378.425 1.737 0 50 GDAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 328593061 OSTBGJQARUGZPT-CQSZACIVSA-N 390.255 1.789 0 50 GDAA COc1ccc2cc([C@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)ccc2c1 71774440 FJFORWKAJNOFTK-LJQANCHMSA-N 383.448 1.180 0 50 GDAA Cc1cc(Br)ccc1C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1 328605601 ODEUCVSMSAUFRN-ZDUSSCGKSA-N 385.258 1.615 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)n1 328609752 FSSQUWSCJOGZQV-INIZCTEOSA-N 393.425 1.057 0 50 GDAA CC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C1 77469765 YRDQPRUBHGSUQZ-HNNXBMFYSA-N 379.526 1.554 0 50 GDAA O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 123724846 VLOZXIRCQBQRLH-CYBMUJFWSA-N 396.373 1.620 0 50 GDAA Cn1cccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71730475 XEFZWTLMXGCTRV-QGZVFWFLSA-N 388.512 1.201 0 50 GDAA CCc1cc(N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[nH]c3=O)C2)ncn1 71759090 WPPNERTZEVPNED-UHFFFAOYSA-N 376.420 1.451 0 50 GDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2ccn(-c3ccccc3F)n2)cn1 367522845 JSPSVYYKVDZZLH-SFHVURJKSA-N 389.456 1.717 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1 72411762 GUMIYJCJGZTZPC-MRXNPFEDSA-N 383.452 1.474 0 50 GDAA CN(C)CCN1C[C@@]2(CCCN(C(=O)CCc3cc(O)no3)C2)CCC1=O 72418228 IZHPGUCECLIXLZ-IBGZPJMESA-N 378.473 1.106 0 50 GDAA Cc1c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)nnn1-c1cnn(C)c1 333535480 JZELYZZUHPXQJR-UHFFFAOYSA-N 387.488 1.418 0 50 GDAA CCN1CCN(CCN2CC3(CCN([C@H]4CCCOC4)CC3)OC2=O)CC1 72424111 KZGYQACMMLYSEA-SFHVURJKSA-N 380.533 1.090 0 50 GDAA CNc1nc(C)cc(N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 71755417 YPTRMQLVYWKGDE-MRXNPFEDSA-N 390.532 1.270 0 50 GDAA O=C(C1CC1)N1CCN(Cc2ccc(O)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72430026 OZKLMKIBBVVCCN-LSDHHAIUSA-N 384.885 1.265 0 50 GDAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NC1CCC2(CC1)OCCO2 283190589 YPUUDDWPBRLFFQ-UHFFFAOYSA-N 389.383 1.289 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12 14744512 ZRLVQQUZWRHCTL-ZWKOTPCHSA-N 384.480 1.283 0 50 GDAA biogenic Cn1cc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)CC2)cn1 173659377 ZRXRFEMEJFRTGU-INIZCTEOSA-N 387.509 1.825 0 50 GDAA Cn1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cc1=O 82120706 AAOUTDUMAYZPAF-JOCHJYFZSA-N 394.475 1.825 0 50 GDAA CCc1nc(C[C@@H]2CN(C(=O)CN3C(=O)CCc4ccccc43)CCO2)no1 95501221 CJUWEABLRYXJJD-OAHLLOKOSA-N 384.436 1.381 0 50 GDAA COc1cc(-c2ccc(C(=O)NCCc3nc(C)cc(C)n3)cc2)nc(N)n1 426486462 TYPZGTHGEOBOSG-UHFFFAOYSA-N 378.436 2.114 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)N2CCOCC2)C1)c1ccc2c(c1)OCO2 95496956 YFJGCGYUYZRPBT-AWEZNQCLSA-N 375.425 1.309 0 50 GDAA COCCNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)c(Cl)c1 95523719 ICTOVOQOWUCJHS-UHFFFAOYSA-N 384.860 1.732 0 50 GDAA CCc1nnc(-c2ccc(OC)c(NC(=O)N[C@H]3C=CS(=O)(=O)C3)c2)o1 96149981 CRNDTOLMVLYNFS-NSHDSACASA-N 378.410 1.740 0 50 GDAA COCc1nc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)no1 95528441 MLYIAEPOGPVQSI-CYBMUJFWSA-N 388.424 1.587 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)N1CCC(OCc2cccnc2)CC1 92062333 FAHQINOGUBLRKR-UHFFFAOYSA-N 378.432 1.999 0 50 GDAA NC(=O)C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 95531570 AVXNOEHZKRSORM-UHFFFAOYSA-N 385.508 1.972 0 50 GDAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2cnccn2)C1 95525706 PDSLXNCOQMVMON-OAHLLOKOSA-N 384.436 1.533 0 50 GDAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)C[C@@H]1CCS(=O)(=O)C1 299749790 LNEZNOPSUKEVBV-NSHDSACASA-N 375.393 1.593 0 50 GDAA Cn1c([C@@H]2CCCCN2C(=O)CCc2nnc(O)nc2O)nc2ccccc21 253623780 LLDXIALGXNBVOC-HNNXBMFYSA-N 382.424 1.856 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCO[C@@H]2CC[C@H](C(N)=O)C[C@H]21 1940196182 QCMFSLREJVPEAL-POZUXBRTSA-N 383.448 1.191 0 50 GDAA Brc1ccccc1-n1nnnc1CN1CCO[C@@]2(CCOC2)C1 185155289 TWYMELUKHIJNOD-HNNXBMFYSA-N 380.246 1.416 0 50 GDAA O=C(c1n[nH]c(O)n1)N1CCOC2(CCN(Cc3cccc(F)c3)CC2)C1 826615327 FKLILDTXRRSDTG-UHFFFAOYSA-N 375.404 1.157 0 50 GDAA Cc1nn(C)c(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1Cl 670467511 XPRPFAJBLGSTQW-QOSBUDKSSA-N 399.926 1.679 0 50 GDAA NC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](O)c3cccs3)CC2)cc1 952970847 PWCCNTHGVMRRFP-INIZCTEOSA-N 380.491 1.981 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c1C 952978744 VFGHVGIWROKARO-HNNXBMFYSA-N 384.502 1.023 0 50 GDAA COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2nc(C(=O)O)cs2)CC1=O 268901580 FVEAVEIEFXZKSF-NSHDSACASA-N 389.433 1.828 0 50 GDAA CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 408109132 XLHJNKCZTTZYDY-VBCDNDGESA-N 384.523 1.698 0 50 GDAA Cc1c(C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)c(=O)oc2ccccc12 275850815 YNKVQGSCFAEPBL-AWEZNQCLSA-N 393.447 1.820 0 50 GDAA COC(=O)C[C@H]1C(=O)NCCN1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 170601569 XICXDKNKJGBDLW-CABCVRRESA-N 383.489 1.387 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C[C@@H]2O)on1 1704354896 LOXJMCOPEGQTPE-MJGOQNOKSA-N 399.447 1.131 0 50 GDAA O=C(CCc1cc(Cl)no1)N1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772806457 ACISUFJKUGGDJE-SJCJKPOMSA-N 396.900 1.670 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@H]2CNC[C@]2(CN(C)C)C1 1772805056 XLLAOPMMPKCHIO-BEFAXECRSA-N 376.526 1.347 0 50 GDAA CSCC(=O)N1C[C@H]2CN(CCCOc3ccc(F)cc3)C[C@]2(CO)C1 1772709995 LEADUSURAWEYQP-DNVCBOLYSA-N 382.501 1.710 0 50 GDAA Cc1ccc2nc(CNC(=O)Cn3nnnc3CN3CCC(C)CC3)cn2c1 11818865 CTTZZWLYSDVBMB-UHFFFAOYSA-N 382.472 1.178 0 50 GDAA CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1 12036377 RFHBMYJKTYACML-AWEZNQCLSA-N 396.495 1.882 0 50 GDAA CCn1cncc1CNC(=O)[C@@]12CCCN(Cc3ccncc3)[C@H]1CN(C)CC2 1857679996 DMBYSFJHHJKFSE-RBBKRZOGSA-N 396.539 1.901 0 50 GDAA Cc1cc2[nH]c(CN3CCC[C@@]4(CCc5c(O)nc(C)nc54)C3)cc(=O)n2n1 1857688447 KBAFUGHKUMVUIA-HXUWFJFHSA-N 380.452 1.615 0 50 GDAA O=C(Cc1ccc(F)cc1)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857713304 UMEAGFBHYSFFLQ-XKGFGPFHSA-N 382.439 1.958 0 50 GDAA CC(C)OCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3 1857716152 YVJLXSPVAMQWRZ-NRTGNBEESA-N 378.494 1.909 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cc(=O)cc(C)o2)cc1OC 1857718091 NINXYZFLVZTCSK-OALUTQOASA-N 389.404 1.540 0 50 GDAA O=C(CCc1cc(O)no1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857718701 PCJSHBRXPUSLHH-QINHECLXSA-N 383.404 1.614 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCc2c(c(C(N)=O)nn2C)C1 1857730235 NMHIHTMQKGHDGV-UHFFFAOYSA-N 397.464 1.193 0 50 GDAA Cc1nc[nH]c1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857737828 FKNJAYZVOBBHAP-ICSRJNTNSA-N 384.480 1.757 0 50 GDAA O=C(/C=C/c1ccccc1)N[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@H]1O 1875242752 ZVKZHCDIMNGDQF-UUAOQSGWSA-N 382.464 1.359 0 50 GDAA CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 8048329 PZIPLSSAGABBQE-UHFFFAOYSA-N 379.482 1.212 0 50 GDAA CC(C)(C)OC(=O)NS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 12336691 KUDXQVYDLHKECF-UHFFFAOYSA-N 399.469 1.710 0 50 GDAA in-vitro COC[C@]1(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)OCCc2ccccc21 263087709 AAFJPPWCPFTPII-IIMJZQEZSA-N 376.453 1.853 0 50 GDAA CCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1ncn2CC(C)(CO)CO 1875269265 PTVCWRFSGMBERZ-UHFFFAOYSA-N 399.451 1.572 0 50 GDAA CC(C)[C@@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1ccc(F)cn1 1875399605 FDWRSRBIDCFSPG-RDTXWAMCSA-N 375.448 1.184 0 50 GDAA CCOc1ccc(C(=O)N2CCC[C@H](C(=O)NS(C)(=O)=O)C2)cc1OCC 1875391080 IKZWMNFJHKPHLI-AWEZNQCLSA-N 398.481 1.412 0 50 GDAA CO[C@H](CS(=O)(=O)Nc1cc(O)cc(Br)c1)[C@@H]1CCOC1 888102214 PFXUURYGAVCJLM-NOZJJQNGSA-N 380.260 1.948 0 50 GDAA CCn1nccc1C(=O)N[C@@H]1C[C@@H](C(=O)NCc2ccccn2)CC[C@H]1OC 2100539582 OYVJYIJBDDKWNE-YXJHDRRASA-N 385.468 1.528 0 50 GDAA CCn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1 2325786230 VMWXKICGORIMDU-ZTFGCOKTSA-N 380.452 1.731 0 50 GDAA O=C1CC[C@H](N2Cc3c(C(=O)N4Cc5ccccc5C4)cccc3C2=O)C(=O)N1 2325886928 ONXWURARYUHQPG-SFHVURJKSA-N 389.411 1.604 0 50 GDAA O=C(C[C@@H]1C=CCCC1)N[C@H]1CC2(CN(C(=O)c3n[nH]cc3F)C2)n2ccnc21 2332237846 OHXIYMMOLGGKMI-HIFRSBDPSA-N 398.442 1.904 0 50 GDAA O=C(NC[C@@H]1C[C@H](C(=O)N2CC[C@]3(C2)OCc2ccccc23)CO1)c1cn[nH]c1 2332238096 YTWFXZDUMXBQJS-HZUJVAHNSA-N 396.447 1.203 0 50 GDAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@H](O)CC3)n(C)c2)C1 119476710 KHMKVBGKHDGVPB-KFWWJZLASA-N 383.514 1.479 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c[nH]nc4n3)C1)CC2 2356154464 WXPGVSKIYGNNMR-HXUWFJFHSA-N 377.452 1.934 0 50 GDAA O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356155762 MCRQZPJMAAMPNI-MRXNPFEDSA-N 380.495 1.256 0 50 GDAA Cc1nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)c1C 6700599 PPODAOAESSCEER-UHFFFAOYSA-N 376.457 1.967 0 50 GDAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CN1CCN(c2ccccn2)CC1 11812845 UGSSJLPBOKHKPY-HSZRJFAPSA-N 394.519 1.800 0 50 GDAA CC(C)(CO)NC(=O)c1ccc([C@H]2CCCN2C(=O)Cn2cncn2)s1 23251251 TZCXFMHRBPEMSP-GFCCVEGCSA-N 377.470 1.204 0 50 GDAA Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N3CCN(C)CC3)c(C)o2)c1 20241475 FIGZBSKFFXDKSL-SANMLTNESA-N 375.494 1.981 0 50 GDAA aggregator C[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@H](O)[C@@H]1O 71766850 ZMYJTGDNFZJYFN-FAKBCLHFSA-N 392.633 1.790 0 50 GDAA CCOC(=O)CNC(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 72143501 APMKTRJIMKUJDW-UHFFFAOYSA-N 384.440 1.235 0 50 GDAA O=C1CN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CCN1 71749083 AXWUOWSBYFISQC-LJQANCHMSA-N 384.524 1.321 0 50 GDAA CCn1ncc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 72409675 CIGXYCUSQVSOBD-DLBZAZTESA-N 382.530 1.067 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc3ccnn23)c1 71715025 AYZGXQDPAVBPOA-UHFFFAOYSA-N 375.406 1.624 0 50 GDAA CCOc1ccc([C@@H]2CCCN2C(=O)CCC(=O)NCCNC(C)=O)cc1 363516635 XBCDROUHVIVKOP-SFHVURJKSA-N 375.469 1.781 0 50 GDAA Cc1noc2ncnc(N3CCC(N4CCC[C@@H](C(=O)NC5CC5)C4)CC3)c12 71738445 ZVMGSNIFGCMNGE-CQSZACIVSA-N 384.484 1.886 0 50 GDAA O=C(N1CC[C@@H](N2CCNCC2)C1)C1(c2cccc(Br)c2)CC1 262115983 VENSLQYUEKHDHG-MRXNPFEDSA-N 378.314 1.987 0 50 GDAA Cc1ccc(C(=O)O)c(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72473891 JKBIPHYYOYDCBC-HNNXBMFYSA-N 387.436 1.770 0 50 GDAA Cc1nnc([C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)[nH]1 286297141 HYAVRZZOCPIIPY-NSHDSACASA-N 383.449 1.530 0 50 GDAA CC(=O)N1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@@H]1C(=O)O 82148367 MLGJFMXKILDDRL-MRXNPFEDSA-N 380.466 1.304 0 50 GDAA CNC(=O)CN1CCC(Oc2ccc(C(=O)NCCOC)cc2Cl)CC1 95499583 ZZGPNUFEAGUYEF-UHFFFAOYSA-N 383.876 1.305 0 50 GDAA CCN1CCN(CC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C(=O)C1=O 95497737 HWCVNGQYXWNOMW-INIZCTEOSA-N 375.444 1.298 0 50 GDAA CN1CC(=O)N(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)C1=O 426623103 VBUKMNFPRFHPCF-UHFFFAOYSA-N 383.330 1.102 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 95518480 LBHVUXAZUKBFHG-UHFFFAOYSA-N 398.463 1.581 0 50 GDAA CCn1cc(CNC(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cn1 96165767 PSNBEEYEQQZFSC-UHFFFAOYSA-N 387.440 1.462 0 50 GDAA CN1C[C@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)CC2)OC1=O 95528026 MFHVBMQJZRKHEC-GOSISDBHSA-N 375.450 1.896 0 50 GDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN2CCC(F)CC2)c1 95517569 LZSMWMLMCVABNZ-IBGZPJMESA-N 396.503 1.826 0 50 GDAA O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCC[C@H]1CO 584889034 GFYUGHAQJVAGFG-INIZCTEOSA-N 381.498 1.396 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)NCCCN3CCC[C@H](O)C3)cc12 670439906 XOVZOKNPOPZMOY-AWEZNQCLSA-N 379.482 1.374 0 50 GDAA C[C@H](O)c1nc2ccc(NC(=O)CN3CCN(c4ncccn4)CC3)cc2[nH]1 952981460 WTBQNQMAJWJLIW-ZDUSSCGKSA-N 381.440 1.167 0 50 GDAA Cc1nc(-c2cccc(NC(=O)COc3ccc(-n4cnnn4)cc3)c2)n[nH]1 952868979 JOTZMCIRVZLGAW-UHFFFAOYSA-N 376.380 1.773 0 50 GDAA Cc1ccc(C(=O)N2CCC(C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)CC2)cc1 952976736 GRRALWBDDURXFH-JVSBHGNQSA-N 386.492 1.437 0 50 GDAA O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1COCCN1C1CCCC1 188671022 HFJVTJDMZOALBK-NRFANRHFSA-N 387.524 1.778 0 50 GDAA C[C@@H](c1nnnn1C1CC1)N1CCN(CCNC(=O)c2ccccc2F)CC1 192034057 DEPFHHAHUHMPTK-AWEZNQCLSA-N 387.463 1.256 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)CC2)n(C)n1 1529173589 MUZQLNDYQIPWCY-UHFFFAOYSA-N 385.472 1.212 0 50 GDAA Cc1cc2[nH]c(CN3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)cc(=O)n2n1 1704340613 JNUPGOUNUIKSPL-NRFANRHFSA-N 393.495 1.667 0 50 GDAA NC(=O)[C@H]1CCCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1 1704312646 WPTCEQCAXSTFAA-HNNXBMFYSA-N 384.436 1.516 0 50 GDAA COc1ccc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1Cl 1772706076 QHAQCHYITQKSOS-BMIGLBTASA-N 375.830 1.460 0 50 GDAA Cc1c(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)[nH]c2c1C(=O)CCC2 1772804118 GPZNUMONGYUVDO-UHFFFAOYSA-N 386.496 1.563 0 50 GDAA CCOC(=O)[C@@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11841187 ODWHKVXFCRSXFO-LLVKDONJSA-N 378.458 1.346 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 12372780 OLOVVFDBYCHQBJ-QGZVFWFLSA-N 389.496 1.479 0 50 GDAA CO[C@H]1CN(C/C=C/c2ccccc2)CC(=O)N(CCCN2CCCC2=O)C1 14748788 WHACWIDPQNPHIU-JOCSGSGBSA-N 385.508 1.872 0 50 GDAA COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)CCC2=O)cc1 14979059 RZKLQNCNNCZYSZ-SFHVURJKSA-N 387.480 1.167 0 50 GDAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 15074966 QMSOOWMUMBIBHT-MRXNPFEDSA-N 385.867 1.712 0 50 GDAA CCC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3ccccc3C)C[C@]23CC[C@H]1O3 1857718947 BHLPAYFADCGDHM-WFXMFSGNSA-N 378.494 1.689 0 50 GDAA C/C=C/CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)Cn3cccn3)[C@H]3CC[C@]2(C1)O3 1857735219 NMTCGHYCCAYTQW-LXHQRSRJSA-N 386.496 1.752 0 50 GDAA O=C(CN1CCN([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1)N1CCCC1 154185567 ZIUPMJCTZOIVIW-KRWDZBQOSA-N 392.450 1.310 0 50 GDAA CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccc(OCC(C)C)cc1 262477629 VFOZQBWNXTUTDG-ZDUSSCGKSA-N 386.470 1.321 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)c3cnc4c(cnn4C(C)C)c3)C2=O)n(C)n1 266354980 DANAFTGCSJQAHL-MRXNPFEDSA-N 395.467 1.980 0 50 GDAA 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Cc1ccnn1CCN1CCC[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 952966302 DPBNUXWSFBXPOA-GOSISDBHSA-N 393.495 1.914 0 50 GDAA CN1C(=O)c2ccccc2[C@H]1CNC(=O)Cn1cc(C(N)=O)c2ccccc21 1462169595 VWQNYSRNVYTOEI-GOSISDBHSA-N 376.416 1.683 0 50 GDAA O=C(CCCOc1ccccc1Cl)N1CCC[C@@H](N2CCNCC2=O)C1 186691978 WTOPBQSPDDZSBJ-OAHLLOKOSA-N 379.888 1.922 0 50 GDAA Cn1ccnc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1=O 191614533 ZXGIDSOCLWFCSO-CQSZACIVSA-N 391.378 1.371 0 50 GDAA Cc1ccccc1-c1noc(CCC(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704308862 SJYNTEWTTQNZLN-KDURUIRLSA-N 385.376 1.366 0 50 GDAA O=C1O[C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]2N1CCCc1ccc(F)cc1 11718680 URBLOHDABCTFKV-DLBZAZTESA-N 397.472 1.604 0 50 GDAA Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)cn1 11879962 VLFLPRUJJCMTCP-IBGZPJMESA-N 381.480 1.225 0 50 GDAA O=S(=O)(c1ccccc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009262 DYAPUXGABPDIGB-UHFFFAOYSA-N 388.428 1.312 0 50 GDAA CCCCn1c(CN2CCN(C(C)=O)CC2)cnc1S(=O)(=O)CC1CCC1 19741760 LRJQMWHNRXGHRR-UHFFFAOYSA-N 396.557 1.921 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COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1 55060881 OMXNLTOWLDAWOX-SFHVURJKSA-N 382.464 1.140 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)ccc21 250417010 AXHPSPPHMVGTNC-AKSVOJBYSA-N 375.494 1.980 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)cc1 55108833 UDPCBQIRQVTJCX-OAHLLOKOSA-N 377.466 1.455 0 50 GDAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 55280941 RLZBAUZUMYBZOO-SFHVURJKSA-N 377.460 1.401 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)Nc3ccc(C)cc3)nn2)CN1 67821471 OTNMYOUCOAGSMD-CABCVRRESA-N 385.472 1.292 0 50 GDAA CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1c1ncc[nH]1 328627523 MUXOPRHCTQSOMX-NSHDSACASA-N 390.387 1.986 0 50 GDAA C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 281308576 KKSJLEHXRORDLH-CPUCHLNUSA-N 386.452 1.571 0 50 GDAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 363625885 IBHPQPWGCJIELA-SFHVURJKSA-N 376.464 1.957 0 50 GDAA C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)NCc1ccccc1 363794112 UWTLVSUVQSWPHH-UHOSZYNNSA-N 388.512 1.634 0 50 GDAA O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](c2nn[nH]n2)C1 155486212 FEHRCGRTGNCHAL-PWSUYJOCSA-N 376.367 1.237 0 50 GDAA CNc1nc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncc1F 71763453 XVJIFNSFPGHWOL-CYBMUJFWSA-N 376.480 1.617 0 50 GDAA C[C@H](CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[C@@H](C)CO)c1ccccc1 489484748 GKEVYNAZEQUYAX-CABCVRRESA-N 394.493 1.956 0 50 GDAA CN(Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)c1cnn(C)c1)CC2 374742581 CPQXVEFJERDIJL-CQSZACIVSA-N 381.527 1.552 0 50 GDAA Cc1nc(C(=O)N2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c(C)o1 72427368 WFVBGZROKNUAHA-AWEZNQCLSA-N 375.425 1.609 0 50 GDAA O=C([C@H]1CCCN(C2CCN(CCc3ccccn3)CC2)C1)N1CCOCC1 71750953 RRKJBMHFZYHYCM-IBGZPJMESA-N 386.540 1.659 0 50 GDAA COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 378363465 LGQIMWFGTBPXCJ-MOPGFXCFSA-N 386.496 1.975 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1 82230396 JXPRXQAGJIQQNA-UHFFFAOYSA-N 392.463 1.871 0 50 GDAA CC(C)(C)OC(=O)N1C[C@@H](N2CCNCC2)C[C@H]1C(=O)N1CCC(F)(F)C1 139896402 NEYBZYHUJLJPLN-KBPBESRZSA-N 388.459 1.137 0 50 GDAA CCCCN1CCn2nc(CNC(=O)Cn3cnc4ccccc4c3=O)cc2C1 426378227 RPUDLNNMMYMNJN-UHFFFAOYSA-N 394.479 1.525 0 50 GDAA CN(C)c1nc(N2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)ncc1F 95378984 ZSWHFHHMLATFEL-AUUYWEPGSA-N 392.479 1.161 0 50 GDAA Cn1cc(CN(C(=O)CN2C(=O)COc3cccnc32)C2CCCCC2)cn1 95507734 IEPBWGMJEXWFHN-UHFFFAOYSA-N 383.452 1.902 0 50 GDAA NCCCOC1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 162169765 WPCGYVWGRNQBQF-IBGZPJMESA-N 379.476 1.555 0 50 GDAA COc1ccc(C(=O)NCC(=O)NCC2CCN(c3ccncc3)CC2)cc1 180551196 LOOVUJWYZGIKEG-UHFFFAOYSA-N 382.464 1.853 0 50 GDAA O=C(N[C@H]1CCCN(C(=O)c2cccs2)C1)c1cnc2ccccn2c1=O 97619113 WBOYQZVLOAWAGV-ZDUSSCGKSA-N 382.445 1.791 0 50 GDAA Cc1c(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)sc2ncn(C)c(=O)c12 244852555 UUNVXUBEFHRNRH-TYNCELHUSA-N 384.461 1.940 0 50 GDAA COCCN1C(=O)[C@@]2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)c2ccccc21 1940195451 DNSOCGIRHDLIBY-OAQYLSRUSA-N 382.416 1.725 0 50 GDAA O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 827763267 IJBYBQGHUKWRCK-CYBMUJFWSA-N 394.460 1.660 0 50 GDAA Cn1ccc2ccc(C(=O)N[C@H]3CCN(C(=O)c4ccccn4)C[C@@H]3O)cc21 1565513758 QPOWOAZQSCMGJB-LPHOPBHVSA-N 378.432 1.579 0 50 GDAA O=C(Cn1cnnn1)N1CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 270256490 BYPLUFCZPQYJEG-UHFFFAOYSA-N 396.373 1.153 0 50 GDAA Cc1c(C(=O)N(C)CC2(O)CCOCC2)nnn1-c1cccc2cccnc12 188021817 QWJIJMQRJXAENB-UHFFFAOYSA-N 381.436 1.737 0 50 GDAA COC(=O)[C@@]1(C)N[C@@H](c2cc(C)c(OC(C)=O)c(C)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210225068 UMFKKRWOBNGOBH-KZDUYQQSSA-N 388.420 1.036 0 50 GDAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3cnc(N4CCOCC4)nc3)C1)CC2 1704302551 AARCFYQIZNUIRH-HXUWFJFHSA-N 381.484 1.165 0 50 GDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCCN(C(=O)c4ccoc4)CC3)c12 1772818803 YPBJTFAJYHKWOW-UHFFFAOYSA-N 383.408 1.920 0 50 GDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CNC[C@@]2(CN(C)C)C1 1772703267 CXEOYZIKEMGDOB-VQIMIIECSA-N 390.509 1.422 0 50 GDAA COCc1cc(CN2CCCN(C(=O)CN3CCCC3=O)CC2)ccc1OC 1775981651 BSJQDEBYBGGWGX-UHFFFAOYSA-N 389.496 1.498 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)c(OC)cc1Cl 1772701820 HRQPLKWLHXYQDG-MNOVXSKESA-N 388.873 1.741 0 50 GDAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12048683 ITEZUCRQNIBTCS-QGZVFWFLSA-N 395.504 1.722 0 50 GDAA O=C(NCc1nnc2n1CCN(C(=O)CCC1CCCC1)CC2)[C@H]1CCOC1 14885291 VJONHFYGIHZVRC-INIZCTEOSA-N 389.500 1.286 0 50 GDAA CCOC(=O)CN(C)Cc1ccc(OC)cc1OC[C@H](O)CN1CCCC1 15069130 CIORFVZOGRCESG-QGZVFWFLSA-N 380.485 1.526 0 50 GDAA COc1ccc(C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CCOCC1 16625134 LLBKFDZBMCRZLN-UHFFFAOYSA-N 381.410 1.265 0 50 GDAA COc1ccc(-n2ccnc2-c2cnn3cccnc23)cc1NS(C)(=O)=O 1857666777 GMHSVJOPILIVBL-UHFFFAOYSA-N 384.421 1.962 0 50 GDAA CCS(=O)(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2oc(C)nc2C)C1 1857671578 IXKFOVSJXFGJQY-HWWDLCQESA-N 397.497 1.479 0 50 GDAA Cc1nc(N(C)CCO)c2c(n1)C1(CC2)CCN(C(=O)Cc2[nH]cnc2C)CC1 1857684880 IPSNBJLUSRPUPB-UHFFFAOYSA-N 398.511 1.294 0 50 GDAA Cc1nc2ccc(CC(=O)N[C@@H]3CCC[C@@H](NC(=O)c4cc[nH]n4)C3)cc2[nH]1 1857699815 ZEQDKWAGFBSYTP-HUUCEWRRSA-N 380.452 1.994 0 50 GDAA CN1CC[C@]2(C(=O)NCC3=CCCCC3)CCCN(C(=O)Cc3cc[nH]n3)[C@H]2C1 1857704047 BHJKOLLPYWSLFP-SIKLNZKXSA-N 399.539 1.882 0 50 GDAA COCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3sccc3C)[C@H]3CC[C@]2(C1)O3 1857738172 VAPSKQVXYVSAGX-NRTGNBEESA-N 378.494 1.829 0 50 GDAA O=C(c1cc2ncccn2n1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1875244059 KSQUGBRFCOVOGF-ROUUACIJSA-N 391.431 1.371 0 50 GDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(CN3CCCC3)o1)C2 247845267 MIXLUWNKJIXRRK-CVEARBPZSA-N 375.469 1.585 0 50 GDAA COCCN1C[C@H]2CN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@@]2(C(=O)O)C1 253591673 SSCVDOMSNURLCO-BTYIYWSLSA-N 387.480 1.950 0 50 GDAA O=C(Cn1ncn2nccc2c1=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 1261116104 TZVJEGFLXHLQJK-OAQYLSRUSA-N 392.463 1.016 0 50 GDAA C=CC(=O)N1CCC(C(=O)NCC2(C(N)=O)CCCC2)(c2ccccc2)CC1 847500706 NJIVXLXELRJURF-UHFFFAOYSA-N 383.492 1.895 0 50 GDAA CC(C)c1ccccc1CNC(=O)[C@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1875395894 OWEOGMUUXONHJG-GOSISDBHSA-N 390.509 1.719 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1875314647 KLKUMALWPQWNLF-NEPJUHHUSA-N 387.488 1.646 0 50 GDAA C=CC(=O)N1C[C@@H](C(=O)NCc2ccc3nc(O)[nH]c3c2)[C@H](C(F)(F)F)C1 1875388295 VFPOCJNALUITCY-GHMZBOCLSA-N 382.342 1.708 0 50 GDAA Cc1cc(C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)nn1C(F)F 2100483118 SPGMTTDYMQOSAC-UHFFFAOYSA-N 391.444 1.075 0 50 GDAA O=C(N[C@@H]1CC2(CN(C(=O)[C@H]3CC34CCCC4)C2)n2ccnc21)c1n[nH]cc1F 2332237612 DLAVZNOLEAXZJP-TZMCWYRMSA-N 398.442 1.738 0 50 GDAA Cn1c(=O)c2c(ncn2Cc2cccc(I)c2)n(C)c1=O 1185098 FGZMLOWJTCZIFD-UHFFFAOYSA-N 396.188 1.087 0 50 GDAA biogenic COc1ncccc1CCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 2356170910 QZFCIAUATWXHOH-MOPGFXCFSA-N 383.448 1.656 0 50 GDAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN1C(=O)CCC1=O 2866840 PTJDBBVOLUQAON-UHFFFAOYSA-N 378.381 1.358 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1=O 114425518 QKRZNVYZNANNLV-CQSZACIVSA-N 380.370 1.803 0 50 GDAA CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 22521550 QPUZFLOTOAGRCG-INIZCTEOSA-N 383.514 1.608 0 50 GDAA Cc1cc(C)n2nc(CC(=O)NC3CCN(Cc4ccccn4)CC3)nc2n1 120212767 YJHUTHONFOJNJR-UHFFFAOYSA-N 379.468 1.459 0 50 GDAA Cc1ccc2cc(CN3CCN(C)[C@H](C(=O)O)C3)c(N3CCOCC3)nc2c1 67840571 GSUWOYOCGIPFOW-IBGZPJMESA-N 384.480 1.580 0 50 GDAA O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc2c(c1)CCNCC2 252480141 BWRIAVHRDQJEOX-UHFFFAOYSA-N 383.414 1.906 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1)C1CCSCC1 215740592 MGAVCYDWPSJPHO-AWEZNQCLSA-N 384.523 1.721 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)c(F)c2)cn1 328636831 VRGSNWCJDMGTES-INIZCTEOSA-N 383.420 1.722 0 50 GDAA CN1CC[C@H](N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H]1c1ccc(F)c(F)c1 253415730 OERURMULEJIYJE-OKZBNKHCSA-N 375.423 1.839 0 50 GDAA CN(CCn1cccn1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71765287 WEXOVOXQMLCCQH-GOSISDBHSA-N 387.528 1.455 0 50 GDAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)N1CCC[C@H](O)C1 77522825 MGMAIDNOYBEHRT-HNNXBMFYSA-N 378.860 1.623 0 50 GDAA C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 155330534 YXYCHEBUHJKYDB-DENIHFKCSA-N 387.572 1.976 0 50 GDAA NC(=O)[C@@]1(O)CCCN(C(=O)NCc2ccc(COc3ccccc3)cc2)C1 375500165 ZVLZQQPWPSGRJZ-OAQYLSRUSA-N 383.448 1.787 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3[nH]cc(C)c(=O)c3C)C2)CC1 72174571 SLEHIOYLVSADPQ-QGZVFWFLSA-N 376.501 1.730 0 50 GDAA O=C(CN1CCC(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1)Nc1ccccc1 367852199 ZUFBRDQBJAYBNY-QGZVFWFLSA-N 396.495 1.669 0 50 GDAA CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(F)cc(F)c1)CC2 172917290 MUMIWRWETZWGQW-UHFFFAOYSA-N 381.404 1.874 0 50 GDAA O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)c2cnc3ccccc3c2)C1 242346991 ZKVQYYTZVPQIMQ-OAHLLOKOSA-N 382.445 1.823 0 50 GDAA NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 173750942 DWEATQYPDVLTJU-INIZCTEOSA-N 386.473 1.650 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC(=O)N1Cc1ccc(F)cc1 71756791 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C[C@@H](C(=O)NC1CC1)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1 1875393764 SDADMAWHGLGIJJ-NSHDSACASA-N 385.434 1.852 0 50 GDAA CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccccc2C(C)C)CCO1 1875316011 QOMVPMFJZPFLFU-QGZVFWFLSA-N 376.453 1.513 0 50 GDAA CC1(c2cc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)on2)COC1 1875405541 ISEWOFRHAVPTRG-WPRPVWTQSA-N 382.360 1.010 0 50 GDAA CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC)CC3)cc21 1079684 OASKTZHQKRPDKQ-UHFFFAOYSA-N 392.456 1.485 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(N)=O 1428349 LBKBEYCGGYGDBK-UHFFFAOYSA-N 389.477 1.695 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NC2CC2)CC[C@@H]1NC(=O)c1ccc2c[nH]nc2n1 2100477118 HAPMTSKSGUHCCD-NUTKFTJISA-N 385.468 1.930 0 50 GDAA Cn1c(=O)c2c(nc(SCCCO)n2Cc2ccccc2Cl)n(C)c1=O 1830544 GIAPQSNCTCTTML-UHFFFAOYSA-N 394.884 1.610 0 50 GDAA Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)CC2 111852879 LNWIREAJCGBHOT-OALUTQOASA-N 398.511 1.144 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC[C@]4(CCc5c[nH]c(=N)nc54)C3)cnc12 2356145253 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CN1CCCN(c2ncccc2CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1 67757164 LAQCTKHYDSKXRR-UHFFFAOYSA-N 375.860 1.495 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)C(C)C)C2=O)cc1 409413014 IVWUDQMAUFQVFO-SJORKVTESA-N 391.468 1.071 0 50 GDAA COc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1S(=O)(=O)Cc1cc(C)no1 429351020 RDERJFNLIGVVIP-ZDUSSCGKSA-N 393.465 1.399 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(c3ccccc3)CC1)C2 219926195 ZWCICTGZZBTKAO-IBGZPJMESA-N 377.448 1.772 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CN(Cc3nc(C(C)(C)C)no3)S(C)(=O)=O)O2)n1 431248924 QQLIQHLSFOBWFJ-NEPJUHHUSA-N 399.473 1.740 0 50 GDAA C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc2c(c1)OCCCO2 32283232 XXCZVSDNYLGJON-NSHDSACASA-N 381.388 1.869 0 50 GDAA CCC[C@H](C)N1C[C@H](C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)CC1=O 364496877 VPTRVEWKIISRQP-LSDHHAIUSA-N 377.485 1.554 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 157169877 MOKIFYNTCMFXAQ-HNNXBMFYSA-N 389.481 1.501 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3ccc(C(C)=O)cn3)CC2)C1 71752810 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O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1CC12CCNCC2 237820810 JZYNXQOPAPQEPF-QGZVFWFLSA-N 390.915 1.495 0 50 GDAA O=C(Cn1ccc2ccccc21)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91934294 PHOOWOWEUMTAFF-CTNGQTDRSA-N 385.508 1.963 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 299742157 HZNWRXNDUVPBPW-NSHDSACASA-N 379.356 1.498 0 50 GDAA O=C(C(=O)N1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1)c1ccco1 252477988 ZFHBBNXWWMORRS-WKILWMFISA-N 388.464 1.997 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)c3nc(O)nc4ccccc34)cc2C1 299790395 BMLGRXLGZVTWMY-UHFFFAOYSA-N 380.452 1.934 0 50 GDAA O=C(CCc1ccc(F)cc1F)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299763742 QOLXQMRHBQKFAD-HUOQQOJOSA-N 381.419 1.912 0 50 GDAA O=C(Nc1ccc(OCc2cccs2)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1O 299758428 KVJVAWOPXJYORY-HUUCEWRRSA-N 382.463 1.607 0 50 GDAA COc1ccc(CNC(=O)C2CCN(C(=O)CCc3ccnn3C)CC2)cc1 476690708 OERUEIYRPTZCBN-UHFFFAOYSA-N 384.480 1.916 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc(-c4nc[nH]n4)cc3)[C@H](O)C2)cs1 299775698 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Cc1nc(CN2CCN(C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc34)CC2)no1 215980027 PTVUIYRWTRLUCB-GFCCVEGCSA-N 382.424 1.062 0 50 GDAA O=S(=O)(c1ccc(NC[C@@H](O)CN2CCCCC2)nc1)N1CCCCC1 174686312 DQVMRBUCFJSHEP-MRXNPFEDSA-N 382.530 1.515 0 50 GDAA O=C(Cc1cn2ccsc2n1)N1CCN(c2ccc3cn[nH]c3c2)C(=O)C1 82087481 PVPYQHYTZSNNSF-UHFFFAOYSA-N 380.433 1.690 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc4nonc4c3)cc2C1 82087847 MEBFXMCDFILTRX-UHFFFAOYSA-N 383.412 1.237 0 50 GDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2cccc(O)n2)c1 426549043 BUEWBLYSZDHEHU-CYBMUJFWSA-N 384.465 1.911 0 50 GDAA COc1cc(OC)c(S(=O)(=O)NC[C@@H]2CCCCN2)cc1Br 237208018 GFNJZQOOWNFZPE-JTQLQIEISA-N 393.303 1.887 0 50 GDAA CS(=O)(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc4occc4c3)C[C@@H]2C1 95384142 AIIJILXXIBKUSK-CRAIPNDOSA-N 378.450 1.291 0 50 GDAA CCCCn1ccnc1C1CCN(C(=O)[C@@H]2CCCN(CC(N)=O)C2)CC1 95529063 NHNJLHSVMOYMKY-QGZVFWFLSA-N 375.517 1.587 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)Cn2ccc(C)n2)CC1 96150270 CDFCLQNWHATAPJ-UHFFFAOYSA-N 382.472 1.454 0 50 GDAA Cc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(=O)[nH]1 95509050 KPGLTJGOHUEEJD-UHFFFAOYSA-N 395.463 1.333 0 50 GDAA O=C(NCCn1nc(O)c2ccccc2c1=O)c1ccc(-c2cc[nH]n2)cc1 95363871 FLVOVXKWNHAOOS-UHFFFAOYSA-N 375.388 1.922 0 50 GDAA C[C@@H]1Cc2cc(C(=O)NCc3ccc(C(=O)O)o3)ccc2N1S(C)(=O)=O 299746352 WUKCQMPFZPESPE-SNVBAGLBSA-N 378.406 1.618 0 50 GDAA CN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CCNCC1 299751478 QQCCGENOPUJERO-UHFFFAOYSA-N 394.266 1.060 0 50 GDAA Cc1nccn1CCCNC(=O)c1cccc(-c2cnn([C@H](C)C(N)=O)c2)c1 534575301 VZEBFZASXVZYGK-CQSZACIVSA-N 380.452 1.921 0 50 GDAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCCN(S(C)(=O)=O)CC1 263718882 AUXRJNDBOJHDPI-UHFFFAOYSA-N 378.498 1.696 0 50 GDAA COC(=O)c1cn(CCCc2nc(-c3cccnc3)no2)cc2c(=O)[nH]nc1-2 263588915 ZVWWLBCELMSTRR-UHFFFAOYSA-N 380.364 1.541 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccnc(O)c3)OCC(=O)N2C2CC2)cc1 1940196390 HMZVDFJHAHKVMI-MOPGFXCFSA-N 383.404 1.865 0 50 GDAA CCCn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 299766787 FMVKRNBWLPHZTG-UHFFFAOYSA-N 378.458 1.227 0 50 GDAA C[C@@H]1O[C@@]2(O)[C@H](CO)N(C)C(=O)[C@]23C(=O)[C@]2(C)[C@@H](C=C[C@@H]4C[C@H](C)CC[C@H]42)[C@H]13 575631025 IIZSEOKGOHTBLK-KDLRZXEZSA-N 389.492 1.357 0 50 GDAA biogenic,in-vitro O=C(Cn1cccnc1=O)N1CCC2(CC1)CN(Cc1cccs1)CCO2 827921417 UTIPPDSPYJMYCQ-UHFFFAOYSA-N 388.493 1.198 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C2(Cn3ccnc3)CC2)cc1 670459152 JZQRPGBZTUYUGN-UHFFFAOYSA-N 376.482 1.457 0 50 GDAA O=C1NCC2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)CC2)Oc2ccccc21 1335312238 WWFFEDOPNXXNFN-OAHLLOKOSA-N 395.463 1.414 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc2nn[nH]c2cc1F 1338891201 LDKYRNIVTPFUHP-SNVBAGLBSA-N 392.416 1.522 0 50 GDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)CCn3nc(C)c(C(C)=O)c3C)CCN21 1616070264 BDTNIIJGNLXEAC-MSOLQXFVSA-N 376.501 1.804 0 50 GDAA CN1CC[C@](C)(C(=O)N2CCCN(C(=O)Cc3c(F)cccc3F)CC2)C1 1704298144 FVNGYJIIVSSENN-FQEVSTJZSA-N 379.451 1.910 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H](C)C(=O)N(C)C)ccc1F 1704325916 ODRIXYVRJCPHQO-JTQLQIEISA-N 378.404 1.762 0 50 GDAA CCc1ncnc(N2C[C@H]3CN(C(=O)Cc4ccccc4)C[C@]3(CO)C2)c1F 1772804593 BRPBAQQUNDCDJK-IIBYNOLFSA-N 384.455 1.678 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14536225 CLFUIYVVGCBZBB-ZWKOTPCHSA-N 381.407 1.220 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(Cc2cccc(C)c2)no1 169755129 MVKAJYBVKBLPRF-UHFFFAOYSA-N 390.421 1.547 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)cc12 1857668857 DDXMGSUGIONXKI-KPZWWZAWSA-N 392.433 1.361 0 50 GDAA CC(C)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCn2ncc3ccccc3c2=O)C1 1857702716 ARXVNYWTYZVHLK-AVRDEDQJSA-N 397.523 1.508 0 50 GDAA COc1ccccc1CC(=O)N1CCO[C@@]2(CCN(CCc3nccn3C)C2)C1 1857704451 SDRYQSVHNXHOFM-JOCHJYFZSA-N 398.507 1.517 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857715487 UIBQDIIKZKJYNG-UZLBHIALSA-N 379.420 1.410 0 50 GDAA CCn1cc(S(=O)(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(C)n1 1857733764 XSIONDJYDSGNBN-QZTJIDSGSA-N 390.509 1.658 0 50 GDAA Cn1cccc1C(=O)N[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2F)C[C@@H]1O 1875249777 AHRMFQOSZACXBN-IWEFOYFVSA-N 391.418 1.879 0 50 GDAA COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 8657265 MSWOXHMLUMOFAH-ZDUSSCGKSA-N 399.451 1.076 0 50 GDAA CCn1ccnc1CN(C(=O)CCOCCCOC)[C@H]1CC12CCNCC2 952893599 IEQUGLDZZNXSIR-KRWDZBQOSA-N 378.517 1.817 0 50 GDAA CN(C)[C@H]1CNC[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1 1875349556 BOOYKYJOFXLVIJ-GDBMZVCRSA-N 383.452 1.451 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(C5CCCC5)nn4)cc3C2=O)C(=O)N1 1875324115 IGEAIMCXVSRMND-QGZVFWFLSA-N 379.420 1.686 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN=c2[nH]ccnc2-c2ccccc2)ncn1 1875398987 KZEPCDNMMBKCDC-HZPDHXFCSA-N 377.452 1.449 0 50 GDAA C[C@@H](NC(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1ccc(C(F)(F)F)nc1 892816711 AABQMLIIDQQCCP-TZMCWYRMSA-N 399.417 1.767 0 50 GDAA CCOCC1(C(=O)N2CCC(C)(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC2)CC1 2325793083 DZOPBQJVFFWEDA-OAHLLOKOSA-N 395.544 1.851 0 50 GDAA CCc1nnc(N2C[C@H](C)[C@@H](NC(=O)C3(COC)CCOCC3)C2)nc1CC 2325793200 KKYVUNLSZZBLPT-YOEHRIQHSA-N 391.516 1.381 0 50 GDAA CN1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C23CCC(CC2)C3(C)C)NC1=O 2325794252 VYNAOLJVOSLKDO-ZNRBELPBSA-N 388.512 1.475 0 50 GDAA O=C([C@@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1C[C@H]2CC[C@@H]1C2 2325805001 IKCACWLCYASDPE-IYYTYJHQSA-N 375.372 1.746 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H](C(F)(F)F)O1 2325810057 AVXTVKCXRMDGAR-GXTWGEPZSA-N 398.341 1.573 0 50 GDAA Cn1cnc(-c2ccc(NC(=O)c3ccc4c(c3)CC[C@@H](N)C(=O)N4)cc2)n1 2325855870 RZGDIDLBESSPTL-MRXNPFEDSA-N 376.420 1.946 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCOCC2)c1 2325885085 FKVZCPZKYPWVEC-HNNXBMFYSA-N 375.450 1.185 0 50 GDAA COc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc3c(c1)CNCC3)CCO2 415251936 JQGZCFYUGRYNTP-UHFFFAOYSA-N 381.432 1.701 0 50 GDAA CCS(=O)(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 55099289 XHPIHAGKJYUEBK-UHFFFAOYSA-N 390.509 1.856 0 50 GDAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 247312921 KCUDJRMANMTPJE-OIISXLGYSA-N 375.444 1.838 0 50 GDAA NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 117702828 RTHBARFCHDCEJH-MRXNPFEDSA-N 383.452 1.178 0 50 GDAA C[C@@H](CNC(=O)C(=O)NCc1ccncc1)N1CCN(c2ccccc2)CC1 253408107 WGOJAFCJXFBGBL-KRWDZBQOSA-N 381.480 1.025 0 50 GDAA Cc1c(C(=O)NC[C@@H](C)CN2CCOCC2)nnn1-c1cccc2cccnc12 150717341 VRTBHXXZZIADSI-OAHLLOKOSA-N 394.479 1.822 0 50 GDAA C[C@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)nn1 155529122 DZZIYJZYRHVRNM-PHIMTYICSA-N 379.262 1.589 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc3c2OCC3)c1 71762402 FGVPGAANKPJONO-UHFFFAOYSA-N 377.418 1.911 0 50 GDAA CC(C)n1cc(C[C@@H]2N=C(O)N(Cc3cnn(C)c3C(F)(F)F)C2=O)nn1 328611442 LQDLRXJMCZKYEY-NSHDSACASA-N 385.350 1.479 0 50 GDAA CN1CCCc2ccc(S(=O)(=O)N3CCN(C)[C@H](c4ncc[nH]4)C3)cc21 328633645 SSBCBVOHFAFTKF-KRWDZBQOSA-N 375.498 1.470 0 50 GDAA CCS(=O)(=O)N1CCC(N(CCO[C@H]2CCCC[C@@H]2C)CC(=O)O)CC1 328603308 FNWRQJNDYJJQTN-RDJZCZTQSA-N 390.546 1.782 0 50 GDAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)cs1 216245618 DYVMYEIDURWSFR-CYBMUJFWSA-N 381.479 1.449 0 50 GDAA O=C(C1CCC1)N1CCN(Cc2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72453729 AGNDZLFPQHTZRJ-DLBZAZTESA-N 382.913 1.950 0 50 GDAA CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc1 219926318 LQTDXQBUMXTQGM-ROUUACIJSA-N 381.494 1.581 0 50 GDAA Cn1cc(-c2nc(C(=O)NC[C@@H](N3CCNCC3)C(F)(F)F)cs2)cn1 261679036 ANRBHZCCTVRMAA-GFCCVEGCSA-N 388.419 1.110 0 50 GDAA O=C1C[C@H](c2noc(Cn3nc4n(c3=O)CCCCC4)n2)CN1CC1CCC1 371944470 RCZGROUQBZZFFE-AWEZNQCLSA-N 386.456 1.319 0 50 GDAA COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]2CN)cc1Br 237207492 SKOXEQCYCVQTHW-VIFPVBQESA-N 379.276 1.578 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)CCC1=O 77518848 SVUYPESBHPOODV-GOSISDBHSA-N 381.860 1.520 0 50 GDAA CCN(Cc1noc(C)n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 72152003 DKHLXHVMTOEFKD-INIZCTEOSA-N 389.431 1.256 0 50 GDAA Cc1c(CN2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc(C#N)n1C 72430143 CHEKXUMFSWYICX-OAQYLSRUSA-N 377.448 1.181 0 50 GDAA CCNC(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71524665 DIHSDCINWKCTHA-KRWDZBQOSA-N 387.528 1.010 0 50 GDAA COc1ccc(F)c(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c1 221338186 WYLFHNUBWGJJNC-QGZVFWFLSA-N 383.445 1.125 0 50 GDAA CCCCC(=O)N1CCN(C(=O)c2cnccc2C)[C@H]2CS(=O)(=O)C[C@H]21 82146962 AAIPQHJSYQOHJI-CVEARBPZSA-N 379.482 1.030 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)cc1 426430663 IMBTYEPJBQOOLF-QGZVFWFLSA-N 378.440 1.219 0 50 GDAA O=C(NCc1sc2ccccc2c1Cl)c1cc2n(n1)C[C@H](O)CNC2=O 426429740 FVWKPLDHTZCECZ-SECBINFHSA-N 390.852 1.786 0 50 GDAA Cc1cccc2nc(CCNC(=O)N3CCC(O)(Cn4ccnc4)CC3)[nH]c12 426528036 RLPBSIBRXZPYBG-UHFFFAOYSA-N 382.468 1.847 0 50 GDAA Cc1cnn(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 95512152 AIUPQYMWRSESBL-UHFFFAOYSA-N 396.495 1.617 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)CCc3csc(N)n3)C2)CCC1=O 95501159 CSNMRJGOWCCNIV-GOSISDBHSA-N 380.514 1.536 0 50 GDAA CCN(CCn1cccn1)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 96136650 PBZXDAKKPPYQPP-UHFFFAOYSA-N 381.458 1.817 0 50 GDAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccncn2)c1 95359375 HSHIMCKSJMTBAI-UHFFFAOYSA-N 383.433 1.280 0 50 GDAA Cc1csc(SCC(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)n1 244659681 HHEQYBVIUSYSPB-TXEJJXNPSA-N 379.511 1.800 0 50 GDAA Cc1ccc(C)n1CCCC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 253412482 RDEFUYNXMGEKJN-UHFFFAOYSA-N 396.557 1.760 0 50 GDAA O=C(CCc1nc(O)c2ccccc2n1)N1CCn2c(nnc2C(F)(F)F)C1 252510325 ZHLQAYSZIKLLFP-UHFFFAOYSA-N 392.341 1.921 0 50 GDAA O=C(C1CC1)N1CCC[C@@H](CNS(=O)(=O)CCOc2ccc(F)cc2)C1 826588499 BRUZNPFLXOJEAC-AWEZNQCLSA-N 384.473 1.773 0 50 GDAA O=C(O)C1CCN(S(=O)(=O)NCCOc2cccc3cccnc23)CC1 670456147 DCMFSNBNSJEBHT-UHFFFAOYSA-N 379.438 1.245 0 50 GDAA Cc1ccc2nc(C3CCN(C(=O)NCc4nc(C(N)=O)no4)CC3)[nH]c2c1 584897708 UHSGRTOUXOBZAX-UHFFFAOYSA-N 383.412 1.442 0 50 GDAA OC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2ccc(-c3cc[nH]n3)s2)C1 1565513574 KEEAABGLUQOPKS-HOTGVXAUSA-N 376.526 1.901 0 50 GDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 186085602 LZYOVWQMDWDDDL-JKSUJKDBSA-N 399.472 1.794 0 50 GDAA Cc1nonc1CC(=O)N1CCCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1529134026 LNEQNUYYGFXXBM-UHFFFAOYSA-N 394.378 1.897 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cnc(N)nc3-c3ccccc3)C[C@@H]12 1704299914 VBGNHNQWYRIHPJ-IERDGZPVSA-N 395.463 1.737 0 50 GDAA OC[C@H](O)C1CCN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CC1 1772812944 SUWUPSABIWZGEC-FQEVSTJZSA-N 379.464 1.958 0 50 GDAA O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccnc1 16626062 QHAGNKNWXVHWCT-UHFFFAOYSA-N 389.477 1.352 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 16726996 NXSVANQGHSEHFA-UHFFFAOYSA-N 378.450 1.584 0 50 GDAA CCN1CCN(C2(C(=O)NCCCn3ccnc3C)Cc3ccccc3C2)CC1 19740997 RUWJAJACUWYSAY-UHFFFAOYSA-N 395.551 1.873 0 50 GDAA CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3Cl)C2)C1 1857673512 KDNNLVHTEQNEPU-OAHLLOKOSA-N 376.837 1.356 0 50 GDAA O=C(NCc1nc2ncccc2o1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1857683295 UMYBBZJQMGBUHS-GFCCVEGCSA-N 399.476 1.937 0 50 GDAA NC(=O)CN1CCC2(CC1)CC(=O)N(CCCOc1ccccc1)CCO2 1857690680 LERNYYITKBLQIP-UHFFFAOYSA-N 375.469 1.024 0 50 GDAA CN1CC[C@]2(C(=O)NCC3=CCCCC3)CCCN(C(=O)c3cnn[nH]3)[C@H]2C1 1857692030 LIQIMRHWKHBAKX-FXAWDEMLSA-N 386.500 1.348 0 50 GDAA O=C([C@@H]1CCn2nccc2C1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1857698148 FTLSJVOUBIYOAI-SNVBAGLBSA-N 386.403 1.665 0 50 GDAA CCOCCC(=O)N1[C@H]2CC[C@@H]1[C@](CC)(C(=O)NCCCn1cccn1)C2 1857709849 UYDNUTNJINCLQY-SQGPQFPESA-N 376.501 1.976 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857723026 UEOOHYOFXOUCFG-NQIIRXRSSA-N 381.432 1.260 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCc3ccc(N(C)C)cc3)CC2=O)s1 1857724752 BHEDCJQYBCNKJB-AWEZNQCLSA-N 387.509 1.878 0 50 GDAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1C 1857729073 UFMJHJUWVDUDKD-YJYMSZOUSA-N 375.425 1.372 0 50 GDAA CCNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)Cc3cn4ccsc4n3)[C@@H]2C1 1875247076 QIOJPKQJFPNVEL-NWANDNLSSA-N 376.482 1.471 0 50 GDAA O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 408521144 JRJLDNXLKQOJTI-LBCSOOOPSA-N 399.472 1.724 0 50 GDAA CN(C(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1CCN(c2ccccc2F)C1=O 112326350 CNXKGGQTANAQDJ-KRWDZBQOSA-N 394.410 1.743 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3C)C2)cc1 328623141 IXMCRBBRFZCMMP-OAHLLOKOSA-N 375.450 1.592 0 50 GDAA N[C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)C[C@H]21 841214912 UNLLEOHWZIUBCD-AXAPSJFSSA-N 378.423 1.699 0 50 GDAA CNc1ncccc1C(=O)N1CC[C@H](C)N(C(=O)c2cccnc2NC)CC1 1875274575 KAIYQYSESWYZQO-AWEZNQCLSA-N 382.468 1.937 0 50 GDAA CC(C)(C)OC(=O)N1CCN(c2cc(NC(=O)NCCCCO)ncn2)CC1 1875339936 CZJPBMGKDUKNQS-UHFFFAOYSA-N 394.476 1.428 0 50 GDAA COC(=O)/C=C/C(=O)N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 1875379087 MCIWENCJCBQDLF-WOMSROEHSA-N 396.325 1.893 0 50 GDAA O=C1[C@@H](NC(=O)N2C[C@H]3C[C@@H]2CO3)CCN1c1cccc(OC(F)(F)F)c1 1875301698 QFLQXXOVRXLTCD-BNOWGMLFSA-N 385.342 1.873 0 50 GDAA O=C(O)[C@@]1(c2ccccc2Cl)CCN(S(=O)(=O)C[C@H]2COCCO2)C1 1875404506 LBELBGIQLRKYHX-WBMJQRKESA-N 389.857 1.113 0 50 GDAA O=C(NC[C@H]1CCC(F)(F)C(=O)N1)NCC1(CO)CC(c2ccccc2)C1 1875404812 VYHBTPYVYQJTSR-SWKXRBFHSA-N 381.423 1.756 0 50 GDAA O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@]2(c3ccccc3)[C@H](C1)C2(F)F 888101425 URNFLRMAZZQKDA-UIBIWLFHSA-N 389.406 1.836 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnc4cnn(C)c4c3)C1)CC2 2100534466 JRNXFWJCAKLOGT-FQEVSTJZSA-N 378.436 1.893 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc(Br)n2c1CCC2 2325785595 FRYLGTQGSNUBPD-NJZAAPMLSA-N 393.285 1.963 0 50 GDAA COCC1(CC(=O)N[C@H]2CC3(CN(C(=O)C(C)(C)F)C3)n3ccnc32)CC1 2332237890 PXPDOHPVICCHHD-ZDUSSCGKSA-N 378.448 1.546 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1 4029893 YNVNVUVIHRYHDO-VIPLHTEESA-N 394.420 1.567 0 50 GDAA biogenic Cc1nn(Cc2ccc(C(=O)NN3CCOCC3)o2)c(C)c1Br 2778385 OOUZMZFPPBPRBD-UHFFFAOYSA-N 383.246 1.881 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(c2nc3ccccc3o2)CC1 52606449 GXYWZCKFXUFPAE-HNNXBMFYSA-N 377.466 1.958 0 50 GDAA CCN1CCN(c2c(Cl)cccc2NC(=O)Cn2cccnc2=O)CC1 55099453 BTIRNQKOUWOPMR-UHFFFAOYSA-N 375.860 1.677 0 50 GDAA COCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1 55131469 GSEFSZBQTBNYSU-GOSISDBHSA-N 377.460 1.401 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3cnccn3)C2=O)c1 67921131 GFAJTWLQICYDAO-FQEVSTJZSA-N 388.443 1.310 0 50 GDAA CS(=O)(=O)N1CCC(NCC2CCN(CCc3ccccc3)CC2)CC1 67723689 OTZMOPYVEBKIGF-UHFFFAOYSA-N 379.570 1.955 0 50 GDAA Cn1nc([C@@H]2CCCN(C(=O)Cc3ccncc3)C2)n(-c2ccccc2)c1=O 67770568 GSECBPZTHCFVFH-QGZVFWFLSA-N 377.448 1.915 0 50 GDAA CCc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 72140688 JNAGPQGXHVIAQG-UHFFFAOYSA-N 381.480 1.838 0 50 GDAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCOC[C@H]1c1ncnn1C 329156920 CWOUSMLOUFBIOW-STQMWFEESA-N 377.470 1.688 0 50 GDAA Cc1noc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccccc3)CC2)n1 329249659 TWVOLYXAKJPICY-XLIONFOSSA-N 397.479 1.632 0 50 GDAA COCCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77553795 SSGHWSBVRJIXBO-QGZVFWFLSA-N 396.509 1.407 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)NCCN2CCN(C)CC2)cc1Cl 188203187 BNEZXGHCMJXGHI-UHFFFAOYSA-N 382.313 1.528 0 50 GDAA COc1cnccc1[C@@H](C)NC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 367161256 UODMCELOVSWPHV-CQSZACIVSA-N 396.513 1.751 0 50 GDAA CCn1cnnc1[C@@H]1CN(c2nc(N)c3cc(OC)c(OC)cc3n2)CCO1 367175232 ZUTPRLWJOZHKSJ-HNNXBMFYSA-N 385.428 1.419 0 50 GDAA CC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCn2nnc3ccccc32)CC1 72411502 ACWDQTDGMGQXSM-SJORKVTESA-N 384.484 1.069 0 50 GDAA CCN1CC2(CCN(Cc3ccc(OCC(N)=O)c(OC)c3)CC2)OC1=O 72473170 UVOVZACGLBILDM-UHFFFAOYSA-N 377.441 1.366 0 50 GDAA O=C([C@@H]1CC2(CCNCC2)CN1)N1CCc2nnc(-c3ccccc3)n2CC1 72166000 JYASYJYTIBRKSK-KRWDZBQOSA-N 380.496 1.062 0 50 GDAA CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 262329588 XVUXPMPLESPDHN-AWEZNQCLSA-N 375.468 1.498 0 50 GDAA COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 378363468 LGQIMWFGTBPXCJ-RTBURBONSA-N 386.496 1.975 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)CSc3nnc(N)s3)cc2C1 82115970 VLWIQGUSWDJKRL-UHFFFAOYSA-N 381.531 1.197 0 50 GDAA C[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 177399492 CIIMQMPAVZLIEC-CQSZACIVSA-N 388.493 1.613 0 50 GDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCOCC1 197186507 MQOXBHJVHHVPJA-VPAKFMSCSA-N 382.460 1.488 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)C1 95522053 GWNFMBZRZCPDDT-QGZVFWFLSA-N 399.495 1.823 0 50 GDAA Cn1nc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)ccc1=O 95527667 XNZFSVRJGMXMPB-UHFFFAOYSA-N 380.448 1.435 0 50 GDAA Cc1cc(-c2nc(C)nn2CCc2ccccc2)c2c(=O)[nH]c(=O)n(C)c2n1 96132305 KYFMZUSPRSWYIA-UHFFFAOYSA-N 376.420 1.740 0 50 GDAA COC(=O)c1ccc(OC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239174081 PFLCMTJFUCNZPF-PXQICXGYSA-N 381.384 1.432 0 50 GDAA Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cn1 95382162 QXEQSLLWIOSMQH-UHFFFAOYSA-N 398.435 1.770 0 50 GDAA CC(=O)O[C@@H]1[C@H](C)O[C@H](Sc2ccccn2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 245257208 XBKOQNIEZLQWIR-YIKRHVCPSA-N 383.422 1.714 0 50 GDAA biogenic CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCCN(c4ccncc4C)CC3)n2C)C1 253378511 PRRQIDFQMXOVTH-IYARVYRRSA-N 397.527 1.613 0 50 GDAA O=C(Cc1ccc(CO)cc1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828823345 LHMPLJVRIFYCLK-GWHCDVRWSA-N 391.515 1.405 0 50 GDAA Cc1ccc2nc(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)[nH]c2c1 670441606 RPYNBSKGKBIELA-HNNXBMFYSA-N 390.509 1.387 0 50 GDAA Cc1nc(-c2cccc(NC(=O)CN3CCN(c4ncccn4)CC3)c2)n[nH]1 952978018 JRLDXALNDJHYMV-UHFFFAOYSA-N 378.440 1.331 0 50 GDAA O=C(C1CCC(Cn2cnnn2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888087832 PGQCKPDWUSLMGN-MYBQVCMBSA-N 382.468 1.287 0 50 GDAA CSCC[C@H](C(=O)NCc1c[nH]nc1C)n1c(O)nc2ccccc2c1=O 888089507 JCXRWJZULMSGKJ-OAHLLOKOSA-N 387.465 1.744 0 50 GDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565515660 JTGGJZHMTYULTO-BEFAXECRSA-N 382.468 1.378 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1N 170617713 QETFAXAZVJUIDO-UHFFFAOYSA-N 391.421 1.598 0 50 GDAA Cc1nn(CCO)cc1CN1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 1529179999 AMNNSWVXDSEOSA-UHFFFAOYSA-N 384.480 1.467 0 50 GDAA O=C1C[C@@H](Nc2ccc(C(=O)N3CCOCC3)cn2)CN1Cc1ccccc1 1704301143 MLTIBDMUBJDRKF-GOSISDBHSA-N 380.448 1.767 0 50 GDAA CCC(CC)C(=O)N1C[C@@H]2CN(S(=O)(=O)CC3CCCC3)C[C@@]2(CO)C1 1772812987 UPAWPJUECASKJG-IEBWSBKVSA-N 386.558 1.695 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCCN(S(=O)(=O)c2cccs2)CC1 1772814071 IFLGQNHVTNROKB-UHFFFAOYSA-N 391.478 1.328 0 50 GDAA O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCCN(c2ncnc3[nH]cnc23)CC1 1772818618 IDAMRAREXIBIDG-HZPDHXFCSA-N 383.500 1.656 0 50 GDAA c1ccc2c(c1)nc1n2CN(CCCN2CCOCC2)CN1C[C@H]1CCCO1 13839852 MGXIWKUSOJGBCY-GOSISDBHSA-N 385.512 1.975 0 50 GDAA Cc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)no1 169752493 ZIEURXCUHLRQQT-UHFFFAOYSA-N 379.376 1.590 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cnn(-c3ccccn3)c2C)CC[C@H]1O 1857714677 HHLKYTVGJKGLAR-XLIONFOSSA-N 388.468 1.188 0 50 GDAA C[C@@H]1CNCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 124812497 RYCCCOUGWCFHJU-LLVKDONJSA-N 379.258 1.369 0 50 GDAA COc1cc(-c2cc(=NC(=O)Cn3nc(C)nc3C)[nH][nH]2)cc(OC)c1OC 1875245098 KBMHWVCCHACJBX-UHFFFAOYSA-N 386.412 1.371 0 50 GDAA COc1ccc(Cl)cc1NC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1875245819 SSJUVMWPBMDKDG-GWCFXTLKSA-N 391.877 1.377 0 50 GDAA Cn1cc(Cl)c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)n1 1875241075 ODPCGYSSRUPPCU-KHYOSLBOSA-N 386.839 1.988 0 50 GDAA CCOc1ccccc1CN1CCC[C@H](n2cc(C(=O)NCCCO)nn2)C1 12036278 XPRJLTVKCWWAKS-KRWDZBQOSA-N 387.484 1.626 0 50 GDAA CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)OC3(CCOCC3)C2)cc1 363923929 HFMBBLBFHBVXQV-HNNXBMFYSA-N 396.509 1.960 0 50 GDAA C[C@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 266305835 SDZYARCOUWJNAH-WBVHZDCISA-N 398.467 1.141 0 50 GDAA Cc1cccc(Cn2cccc(C(=O)N(CC(=O)O)C3CCOCC3)c2=O)c1 1848357893 GBVHTOCPCOGAIH-UHFFFAOYSA-N 384.432 1.911 0 50 GDAA O=C1C[C@H](C(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)[C@@H]2CCCC[C@H]2N1 1875268277 BOJHJGJKUVRKAP-SOUVJXGZSA-N 397.483 1.087 0 50 GDAA O=C1C[C@H](c2ccc(F)cc2)NC(=O)N1CCCn1nc2n(c1=O)CCCC2 1875278813 ITOLCYRYLIIYKC-OAHLLOKOSA-N 387.415 1.594 0 50 GDAA Cc1nc[nH]c1S(=O)(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 1875289714 KKDLQBFCBSTRNJ-NSHDSACASA-N 393.387 1.797 0 50 GDAA Cc1cccc([C@@H](CN2CCC(=O)N[C@@H](CC(F)F)C2=O)N2CCOCC2)c1 1875310537 TWQLJAAJXPMWPN-DLBZAZTESA-N 395.450 1.741 0 50 GDAA CC[C@H](O)Cn1cc(-c2ccc(C(=O)N3CC(F)(C(=O)O)C3)c(F)c2)nn1 1875353808 GQTNIMQCBDYIPR-NSHDSACASA-N 380.351 1.104 0 50 GDAA CN1c2ccc(C(=O)Nc3ccc4c(c3)COB4O)cc2C(C)(C)S1(=O)=O 1776003059 SYKIULKLPJGUCK-UHFFFAOYSA-N 386.238 1.171 0 50 GDAA COCCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cc[nH]n1)C[C@H]2O 2100545701 ZBBPXBWISSXPNA-VURPSTOHSA-N 384.480 1.139 0 50 GDAA CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@H]1CN(Cc2cc[nH]c2)C2(CCC2)CO1 2325785262 MPNPNSQRWLQBBB-HKUYNNGSSA-N 388.512 1.511 0 50 GDAA O=C(NC1CCC(CO)(CO)CC1)[C@@H](c1ccccc1F)N1CCOCC1 2325806326 GYBSNRJAJMGIOI-GOSISDBHSA-N 380.460 1.229 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@@H](C(F)(F)F)O1 2325810059 AVXTVKCXRMDGAR-OCCSQVGLSA-N 398.341 1.573 0 50 GDAA COCc1cc(C(=O)N[C@H](Cc2cccc(Br)c2)C(=O)O)n[nH]1 2325875865 DIFQOPGHNUQUOH-CYBMUJFWSA-N 382.214 1.744 0 50 GDAA COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 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FLKXLYZJUWBONY-UHFFFAOYSA-N 375.404 1.086 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@H]1CC[C@@H](c2nc(C)no2)O1 328613338 ROAYBBUUPJHOAY-RISCZKNCSA-N 383.474 1.435 0 50 GDAA COc1cc(OC)cc(N2C[C@H](C(=O)N3C[C@H](C)S(=O)[C@@H](C)C3)CC2=O)c1 481757951 AMWSICLWJOIHLO-MELADBBJSA-N 394.493 1.425 0 50 GDAA CN1CC[C@@H](N(C)C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1=O 363249651 ANYUCZPZESOUJC-SUMWQHHRSA-N 380.439 1.801 0 50 GDAA Cn1ncc2c1ncn1nc(C34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)nc21 13960001 XNDOEOFYXIYNPS-CCHVVGMOSA-N 376.428 1.245 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3cccc(O)c3)[C@H]3CS(=O)(=O)C[C@H]32)o1 72433574 DNOGBPBCRWJSCE-MSOLQXFVSA-N 390.461 1.417 0 50 GDAA CO[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nccs3)c2)C1 215527868 OQOXHTNZWFJBLG-CYBMUJFWSA-N 381.479 1.483 0 50 GDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(CCC(=O)OC)CC2 14535023 YFORULYTJINMFO-UHFFFAOYSA-N 380.489 1.227 0 50 GDAA O=C(c1cnc2sccn2c1=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72173928 UFFJMSBPLBLRMU-INIZCTEOSA-N 381.457 1.847 0 50 GDAA CN(C)C(=O)COc1ccccc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1 378382578 ZJBZLCMJWDGBAW-OALUTQOASA-N 386.496 1.975 0 50 GDAA O=C(c1c[nH]c(=O)cn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71753101 PSPARZJMKIJOPN-MJXNMMHHSA-N 386.402 1.751 0 50 GDAA C=CC(=O)Nc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 264047606 BKLBWXYXSKEGPR-HNNXBMFYSA-N 391.518 1.902 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N(C)C[C@H](O)CO)csc3C2)nc1 426440288 NZXXNNKFIUAJNR-INIZCTEOSA-N 389.521 1.689 0 50 GDAA COc1ccnc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)c1 96165043 AGVYSNXZBWQWLQ-UHFFFAOYSA-N 386.500 1.431 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)[C@@H](c3cccnc3)N3CCOCC3)CC2)n1 97532373 JSVFQRRKEDSXKJ-LJQANCHMSA-N 383.496 1.865 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cn(C)nc1-c1ccccc1)CC2 95384934 LSNBEZMEYSYGAV-KRWDZBQOSA-N 382.464 1.985 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOc3ccccc3C1)C2 95375987 HMKCKRZGWBWCRD-FUHWJXTLSA-N 386.496 1.485 0 50 GDAA Cc1nc(CN2CCN(C(=O)c3cnc(-c4cccs4)nc3O)CC2)no1 91713968 YXQBIKCZIJKQGQ-UHFFFAOYSA-N 386.437 1.560 0 50 GDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239310046 HZWPOLHNDNVIIT-ARHLZPJGSA-N 380.444 1.381 0 50 GDAA COCCn1nnc([C@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)n1 95367615 UEDGQNSTYSDYNM-GFCCVEGCSA-N 375.458 1.519 0 50 GDAA O=C(Cc1cccnc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91586446 ZZZIAMBAURPLDB-UHFFFAOYSA-N 379.464 1.660 0 50 GDAA CCNc1ncc(C(=O)N2CCC3(CCC(=O)N(CCCOC)C3)CC2)cn1 91526795 DUPPBIVUTCQPCX-UHFFFAOYSA-N 389.500 1.790 0 50 GDAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC(=O)[C@@H]4[C@H]4[C@H]3[C@@H]3[C@H]1[C@H]1C(=O)CC[C@H]1[C@H]3[C@]42C(=O)OC 247864079 WUPBWWFROVYQDQ-STIKWEQGSA-N 384.428 1.261 0 50 GDAA Cc1ccc2c(c1)c(CNC(=O)N1CCN(CCn3cncn3)CC1)nn2C 534646456 WCUJCQWRVBGMJD-UHFFFAOYSA-N 382.472 1.001 0 50 GDAA O=C(NCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 299725006 ZXBNRDBGAWYKIH-GOSISDBHSA-N 398.507 1.100 0 50 GDAA CN(CCC(=O)NCc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 828029669 MPWGHLDJVHCOJG-KRWDZBQOSA-N 394.472 1.137 0 50 GDAA CC(C)c1ccc(N2C[C@H](C(=O)NCCN(C)S(C)(=O)=O)CC2=O)cc1 952977605 NQEISGVARBEJER-OAHLLOKOSA-N 381.498 1.171 0 50 GDAA NC(=O)NC(=O)CCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 410179421 RQPZTMOOPVRFCW-HXUWFJFHSA-N 380.404 1.261 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C2)n1 275318887 OUSAKBJZVXPKSP-LBPRGKRZSA-N 378.332 1.074 0 50 GDAA Cc1ccc(C(=O)NCC2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c(C)n1 1506400856 PJLCXUYWKHEVSK-GOSISDBHSA-N 388.512 1.435 0 50 GDAA CC(C)c1cc(CN2C[C@@H]3CN(C(=O)CCc4cnccn4)C[C@@]3(CO)C2)no1 1772707008 QPLCVBGYVKOVKY-IIBYNOLFSA-N 399.495 1.474 0 50 GDAA CCN(CC)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CCN(C)C)C1=O 11909787 DNUCSXIEZKBREI-FQEVSTJZSA-N 377.460 1.643 0 50 GDAA COCCNCc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3 12212608 XDUSTAMTAIPUIZ-UHFFFAOYSA-N 387.480 1.952 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCCc1cccnc1 12438198 MDHBKGNPWRUGEK-OAQYLSRUSA-N 394.519 1.954 0 50 GDAA C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1 13636520 LVMUTPZRGOUDTF-NUJGCVRESA-N 386.496 1.320 0 50 GDAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)N[C@@H](C)C(N)=O)cc1 1857526681 RZRZHAHKQHRVMN-NSHDSACASA-N 384.388 1.903 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCOc2ccccc2)C[C@H]1NS(C)(=O)=O 1857685841 WULLGTKLKUUMNC-CGTJXYLNSA-N 398.525 1.695 0 50 GDAA Cc1cc(C)n(CC(=O)N[C@@H]2CC[C@H](NC(=O)c3ccc4nc[nH]c4c3)C2)n1 1857687113 LHKIJEQCHHRIPV-CVEARBPZSA-N 380.452 1.844 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCS(C)(=O)=O)C1)CC2 1857711606 ILYWIWHGPIJGMM-LJQANCHMSA-N 395.525 1.721 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)cc2)n1 1857715863 LXHROCQSUGGDQJ-NQIIRXRSSA-N 380.448 1.722 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cncc(O)c2)cn1 1857737411 LETFMHDTGFDCPE-OALUTQOASA-N 385.468 1.589 0 50 GDAA O=C(CCc1ccncc1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 112694271 WDPXWOLHZDLWAX-FQEVSTJZSA-N 378.476 1.964 0 50 GDAA CCOc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Br 19618957 HNPBILIDEMFVMQ-UHFFFAOYSA-N 393.303 1.458 0 50 GDAA COc1cc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)ccc1NC(N)=O 378141113 JLLPLFGTEQAENT-NSHDSACASA-N 396.407 1.463 0 50 GDAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)C(C)C)C1 907481518 BGUIIBLLTRGQKM-WBVHZDCISA-N 386.496 1.895 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C2(CC2)CO1 1875324704 JOLHCGDTSDMBQT-FZMZJTMJSA-N 376.434 1.724 0 50 GDAA O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCOCC1 4181410 FJWXTXIYCBFCCD-INIZCTEOSA-N 392.502 1.723 0 50 GDAA COCCN1CC[C@@H](NC(=O)c2cccnc2Oc2ccccc2C(N)=O)C1 2325748742 BABCHNGBCSNHMD-CQSZACIVSA-N 384.436 1.423 0 50 GDAA CN1CCC(c2ncc(C(=O)N[C@@H]3CCN(C(=O)c4ccccc4)C3)[nH]2)CC1 2325759927 FPPUSPOUUPIDQH-QGZVFWFLSA-N 381.480 1.863 0 50 GDAA CCCCn1cc(C(=O)NC2CN(C(=O)c3cnc(OC)c(C)c3)C2)c(C)n1 2325828370 FOYBGLOTPFIAQJ-UHFFFAOYSA-N 385.468 1.958 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)Nc2nnc(CC(=O)N(C)C)s2)c1C 2356140106 UQKYUVCZGUVFOR-UHFFFAOYSA-N 378.458 1.214 0 50 GDAA Cc1ccc(C(=O)COC(=O)CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 4211673 XZINQYDUUFYKSR-UHFFFAOYSA-N 394.383 1.133 0 50 GDAA COCCN(Cc1cnn(C)c1)C(=O)CCCn1cnc2ccccc2c1=O 55098966 XGMRTFOIUJWBSK-UHFFFAOYSA-N 383.452 1.585 0 50 GDAA Cc1ccc(F)cc1C(=O)NC(C)(C)c1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1 67642774 IYPRFXQUHKQNIL-JSGCOSHPSA-N 375.404 1.378 0 50 GDAA CN(C[C@H]1CCCO1)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67713048 UCUVNIVOURJLPM-LJQANCHMSA-N 388.512 1.634 0 50 GDAA CCOC(=O)C1=C(COC(=O)[C@@H]2C[C@H]2c2ccccc2F)NC(=O)N[C@H]1C 252475299 XSMUUSAHHSYOTA-WCFLWFBJSA-N 376.384 1.991 0 50 GDAA O=C(NCC1CCNCC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71758762 WOECXNKMSIPNBM-OAQYLSRUSA-N 399.583 1.874 0 50 GDAA Cc1cccc(-n2nc(Cc3ccccc3)n(CC(=O)N3CC(O)C3)c2=O)c1 77340226 XYOVRBMOALGVLE-UHFFFAOYSA-N 378.432 1.136 0 50 GDAA CS(=O)(=O)N(Cc1csc(C2CC2)n1)C[C@@H]1C[C@H](F)CN1CC(=N)O 328607746 WXJPCKAHHYRWQY-AAEUAGOBSA-N 390.506 1.730 0 50 GDAA Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(c1ccnc(N)n1)C2 72423058 BEPIAIDQAAEBHN-UHFFFAOYSA-N 384.513 1.715 0 50 GDAA CCN1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71754092 KGARTSQXGLSIDR-NRFANRHFSA-N 399.583 1.922 0 50 GDAA CCN1CCN(C(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)CC1 35828507 NWCMPSVAEUAHPT-UHFFFAOYSA-N 376.482 1.022 0 50 GDAA COCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72155989 DBTFFXNJNUDTQL-FQEVSTJZSA-N 381.476 1.807 0 50 GDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H]3CCOC3=O)cc2)C1 241588216 PAWQRUXJIFRICR-IOASZLSFSA-N 381.450 1.826 0 50 GDAA CC1(Cn2cc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)nn2)COC1 376391337 KCTLBKFBXFNRRD-HNNXBMFYSA-N 391.472 1.542 0 50 GDAA O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71335527 SGGSAHHCVBZTRQ-OAHLLOKOSA-N 383.429 1.784 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c1 174626345 WUULWMRTKMZCNA-UHFFFAOYSA-N 391.479 1.970 0 50 GDAA Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H]3CN)ccc2n1[C@H]1CCS(=O)(=O)C1 157613149 NVGYXCOKMBFMSX-OWCLPIDISA-N 390.509 1.562 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccs3)CC2)C1 71422324 ABZLLGHTKYYFEQ-HNNXBMFYSA-N 379.526 1.827 0 50 GDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3c(C)nn4c(C)cc(C)nc34)CC[C@H]21 77440219 CPQFNFHMLHUIIC-DLBZAZTESA-N 398.511 1.327 0 50 GDAA Cc1ccc(-n2cc(C(=O)N3CCC[C@](O)(C(N)=O)C3)c(C(C)(C)C)n2)cc1 285672427 VKWMRMFQDODNGX-OAQYLSRUSA-N 384.480 1.931 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCSCC2)cc1 14978697 DQXRHOPZRRNMHX-KRWDZBQOSA-N 377.510 1.351 0 50 GDAA O=C(CN1CCO[C@@]2(CCOC2)C1)N1c2ccccc2NC(=O)C12CCCC2 375109068 BCDWGENGAVMLNG-FQEVSTJZSA-N 385.464 1.776 0 50 GDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 82230183 LTDYSZAQFMRBKJ-UHFFFAOYSA-N 391.497 1.371 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1cc(F)c(F)cc1F)C2 426395958 OAFOVCDIWSONKS-UHFFFAOYSA-N 388.371 1.141 0 50 GDAA CCCn1ncc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)c1C 96180890 YEBDAXMMMOMKTA-PXNSSMCTSA-N 376.501 1.599 0 50 GDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2cc(=O)[nH]c(N)n2)C1 95522337 OLCITZICKQHFKS-HXUWFJFHSA-N 384.436 1.495 0 50 GDAA COc1cccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95526203 XJFGBKBMNLVQSQ-IOMROCGXSA-N 394.475 1.491 0 50 GDAA O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91643406 FKCGQLVXGKJTMI-MSOLQXFVSA-N 393.867 1.867 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 95524835 RTXAZIFPJLXKJA-HNNXBMFYSA-N 386.496 1.981 0 50 GDAA Cc1nc2sc(C(=O)N3CCC(c4cc(=O)[nH]cn4)CC3)c(C)c2c(=O)[nH]1 97259211 OISXPDZPWQJDQT-UHFFFAOYSA-N 385.449 1.705 0 50 GDAA COc1ccc(CN2C[C@H](C(=O)NCc3cc(C(=O)O)c(C)o3)CC2=O)cc1 299741662 ABYCMWGQUVUISN-CQSZACIVSA-N 386.404 1.960 0 50 GDAA O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCOCC2(CCOCC2)C1 183349688 PVNIZQHJGGMLRJ-UHFFFAOYSA-N 380.388 1.918 0 50 GDAA COCCN1Cc2cc(C(=O)NCCc3c(C)noc3C)ccc2OCC1=O 263615687 DQSYPMOZGQULKL-UHFFFAOYSA-N 387.436 1.631 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc3c(nc2O)CCC3)cc1 670444973 RHLWNBYTFGCHQD-UHFFFAOYSA-N 389.477 1.683 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCC[C@@H](CCC(N)=O)C3)cc12 952869222 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12072472 OMGVFAJAXSUAOJ-KRWDZBQOSA-N 387.484 1.461 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)Cn4cncn4)C3)C2)c1 12073610 VTWVGLDADDIQGO-HXUWFJFHSA-N 387.459 1.941 0 50 GDAA CCc1cc(C(=O)N2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)n(C)n1 12279316 AXGORWHZIXDGQM-UHFFFAOYSA-N 398.463 1.644 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(Br)cc1 13584631 UHWJQNAJTAMMIE-WVZRYYJFSA-N 399.237 1.835 0 50 GDAA COc1ccccc1-n1cc(CN2CCN3C(=O)[C@@H](C(C)C)NC(=O)[C@H]3C2)cn1 14531183 WVQURHOYVMMWPD-IEBWSBKVSA-N 397.479 1.048 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)NCc3cccc(F)c3)CN2C1=O 14749300 INVCUKPGFBLZFT-XHSDSOJGSA-N 376.432 1.139 0 50 GDAA CCc1ccc(CN(C)C(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cc1 1857528878 ODSTWYLEDMQIFO-GOSISDBHSA-N 390.509 1.500 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857676569 QXOBLWHKJQJQKL-IBGZPJMESA-N 395.507 1.603 0 50 GDAA O=C(NCCO)c1cc2c(s1)CCOC21CCN(Cc2cccnc2)CC1 1857689517 RQBLVPGBDSXKSE-UHFFFAOYSA-N 387.505 1.929 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc1Cl 1857693350 SNJMXBJYWSAIMP-GXSJLCMTSA-N 380.861 1.188 0 50 GDAA O=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@@H]1O 1875247002 VWRQNWMICTUVSG-XIRDDKMYSA-N 384.436 1.062 0 50 GDAA CCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCOCC1 19618942 UTPHTMKLWIXCNC-UHFFFAOYSA-N 393.303 1.458 0 50 GDAA CCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 19973495 VLSODOFYSNVIGH-UHFFFAOYSA-N 381.502 1.038 0 50 GDAA COc1ccccc1N1CC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1=O 363963396 SZBWXIHDXXMNEF-OAHLLOKOSA-N 385.395 1.486 0 50 GDAA O=C(NCc1nc(-c2ccncc2)cs1)NC[C@@H](O)CN1CCCCC1 876380864 MVHZFIKSRQCSQS-OAHLLOKOSA-N 375.498 1.851 0 50 GDAA O=S(=O)([C@@H]1CCO[C@@H](C(F)(F)F)C1)N1CC(O)(c2cccc(F)c2)C1 1875397050 JDFNFLOIXUJISO-CHWSQXEVSA-N 383.363 1.769 0 50 GDAA CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H](N)Cc2cc[nH]n2)c1 1875345535 ATZZDFKDXNBVNK-MRXNPFEDSA-N 393.513 1.566 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 1875301998 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CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 1004676 HJWIASMPURFVAQ-UHFFFAOYSA-N 395.437 1.777 0 50 GDAA O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 1194030 NZPDNOBFGZVBCC-UHFFFAOYSA-N 386.429 1.504 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)nc(C)n1 2356139974 OLTGOEOILYSZKV-CBGDNZLLSA-N 386.496 1.994 0 50 GDAA Cc1nc(CCN(C)C(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)no1 2356145680 ROZDNBNFWMUMPG-ZJTDPSCFSA-N 395.463 1.711 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cn4c(n3)CCNCC4)C1)CC2 2356147196 MNAWGCUKYITUCO-NRFANRHFSA-N 395.511 1.005 0 50 GDAA Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N(C)S(C)(=O)=O 10383294 HIHVBLQIERKAPZ-UHFFFAOYSA-N 383.495 1.573 0 50 GDAA CN(C)C(=O)N1CCN(C(=O)CCCc2cccs2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073328622 DENWPFXJQVLNJA-CABCVRRESA-N 399.538 1.062 0 50 GDAA COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl 65363220 ZIKFJIOPQZVMMA-UHFFFAOYSA-N 389.905 1.325 0 50 GDAA CC(C)N1CCO[C@@H](CN2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)C1 119311827 SXPRYMLVLCLZNW-SFHVURJKSA-N 385.512 1.359 0 50 GDAA O=C(c1ccc[nH]1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77423881 NFJNVPLKTAMCRV-UHFFFAOYSA-N 375.450 1.234 0 50 GDAA C[C@@H](O)C(=O)N1CCC2(CC1)CN(CCN(C)CCc1ccccc1)C(=O)O2 77505447 VAXFGLACKZRWIH-QGZVFWFLSA-N 389.496 1.355 0 50 GDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 3814199 GBXSMTUPTTWBMN-BHYGNILZSA-N 376.453 1.605 0 50 GDAA biogenic,in-vitro COc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)cc1OC 12446282 AYIVKBKRQQDLCC-UHFFFAOYSA-N 398.419 1.368 0 50 GDAA O=C1CC[C@H](C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1ccccc1 12467765 WKKKFYNJWPUAEQ-IBGZPJMESA-N 393.491 1.607 0 50 GDAA COc1ccc(S(=O)(=O)NCCNc2ncnc3c2c(C)nn3C)cc1 72440802 CFZCEZFLAYKBLR-UHFFFAOYSA-N 376.442 1.071 0 50 GDAA COCCN1C[C@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)CC1=O 77302619 SBGIFUKFTYCVRU-QGZVFWFLSA-N 377.460 1.355 0 50 GDAA CCc1ccc(C(=O)N2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)s1 219353215 SGKGFMJFWJVZMH-OAHLLOKOSA-N 376.482 1.675 0 50 GDAA NC(=O)C1(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 72128398 GTRFPCPXAOEACG-ZTFGCOKTSA-N 383.448 1.069 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccn3C)CC2)C1 71404116 PMZPDCOTXPFLNM-INIZCTEOSA-N 376.501 1.104 0 50 GDAA Cc1ccc(N2CCC[C@@H](NC(=O)c3cn(Cc4cccc(F)c4)nn3)C2)nn1 374590957 ZGGUIGDPHFTWEV-QGZVFWFLSA-N 395.442 1.963 0 50 GDAA CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2O)C1 286381342 QGHJRYPNPLMMJH-LBPRGKRZSA-N 396.444 1.213 0 50 GDAA Cn1cnc2c(C(=O)NCc3ccccc3CN3CCC[C@@H]3CO)ccnc21 288456317 IPMYDSXHDKQTOH-QGZVFWFLSA-N 379.464 1.855 0 50 GDAA COC[C@@H](O)CN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426552161 YRSRJQSITNCKDK-AWEZNQCLSA-N 393.509 1.991 0 50 GDAA Cc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 289688891 XKHZKPRCUKMJBK-AWEZNQCLSA-N 387.461 1.467 0 50 GDAA Cc1nccn1CC[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 426726931 SJWATMNZNGDTDB-KRWDZBQOSA-N 376.482 1.763 0 50 GDAA O=C(NCC1(N2CCOCC2)CCCC1)N1CCC[C@H](Cn2ccnc2)C1 426612361 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95381880 GGPHUSLFIGIJIS-UONOGXRCSA-N 376.420 1.730 0 50 GDAA CN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 95382789 LWCFLKIJPSYVDO-MRXNPFEDSA-N 382.482 1.349 0 50 GDAA O=C1CCC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)CN1Cc1ccccc1 91985892 YVEHBXOYYPNLEL-UHFFFAOYSA-N 380.448 1.815 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1 95511991 GMHYGJNZRWAKHV-ZDUSSCGKSA-N 377.470 1.262 0 50 GDAA COc1cc(NC(=O)N2CCC[C@H](c3nc(C)n[nH]3)C2)cc(-n2cnnn2)c1 95525159 HRHCYHQHSUYUOX-LBPRGKRZSA-N 383.416 1.509 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c(O)c1 91441384 HZNNQINTJRSAOW-UHFFFAOYSA-N 376.409 1.330 0 50 GDAA Cc1ccc(NC(=O)CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1F 244716280 LMDNJPZWOKQZJS-FQEVSTJZSA-N 377.460 1.770 0 50 GDAA COc1ccc(F)cc1CN1CCN(C(=O)N[C@H](C)Cn2cccn2)CC1 298742168 UTBUVZPHCQPYIH-OAHLLOKOSA-N 375.448 1.947 0 50 GDAA CCCc1cc(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)nc(C)n1 534647941 FZUUDNOEZUHBQV-QZTJIDSGSA-N 389.477 1.292 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2csc(C)n2)o1 71440036 BAUKOJVETSCWMY-MRXNPFEDSA-N 376.482 1.702 0 50 GDAA Cc1ccn(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)/C=C/c3ccccc3)C2)n1 1940196671 ZGVSWGJMEOJWDG-UUAOQSGWSA-N 382.464 1.277 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)no1 299785541 ULVMYNHDPVQFBX-QGZVFWFLSA-N 390.484 1.062 0 50 GDAA Cc1nonc1CC(=O)N1CCOC2(CCN(C(=O)c3cccs3)CC2)C1 827969489 KDSBSUKNSWOFDO-UHFFFAOYSA-N 390.465 1.516 0 50 GDAA O=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)cc1 670469124 MQWZOGIAONBIEX-QGZVFWFLSA-N 395.525 1.329 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cs1 952969371 MUQCPTQYTCACRR-GFCCVEGCSA-N 393.490 1.786 0 50 GDAA Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1 277556550 NEFBXQKAGMQZHB-GFCCVEGCSA-N 376.844 1.701 0 50 GDAA CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(N(C)C)nc2)C1 279460969 LWMURMWUHIYELW-AWEZNQCLSA-N 378.502 1.888 0 50 GDAA CN[C@@H]1CCCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 194737026 ACNHGCXMQNJLKK-SNVBAGLBSA-N 393.303 1.839 0 50 GDAA O=C1CCC(CCC(=O)N2CCCN(C(=O)Cc3cccs3)CC2)=NN1 1529186953 NEOPUYTZDIZOHA-UHFFFAOYSA-N 376.482 1.398 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)n1 629478 ABAQPSREUGWRQP-UHFFFAOYSA-N 382.399 1.424 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCO[C@@H](CN)C2)ccc1F 1704325523 OFAGTHDNPATJFU-LBPRGKRZSA-N 378.404 1.355 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CCC(=O)NC3)CC1)OCC2 1704358730 RCSPRRPTWPCDRG-HNNXBMFYSA-N 388.464 1.620 0 50 GDAA COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 802857 TZLPHVXXTVZDEU-UHFFFAOYSA-N 388.401 1.565 0 50 GDAA COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)c3cnsn3)C2)c1OC 12299217 XTTJCPAHSVICAD-LBPRGKRZSA-N 390.465 1.838 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1 12317691 DJJRGEIZWXWGDQ-SFHVURJKSA-N 381.480 1.034 0 50 GDAA Cc1nc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)nc2c1CCCC2 12759065 IZSBIWHDKADORH-UHFFFAOYSA-N 397.527 1.714 0 50 GDAA CN1CCN(C(=O)C[C@H]2Cn3ncc(-c4ccc(Cl)cc4)c3NC2=O)CC1 16649905 YRCOJRNATLAZQM-AWEZNQCLSA-N 387.871 1.936 0 50 GDAA C[C@H](NC(=O)CSc1nnc(CN2CCOCC2)n1C)c1ccccc1 19799759 KBRWSQSLMXNQJD-AWEZNQCLSA-N 375.498 1.617 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 19860991 WOOJANDZQJZUDD-MRXNPFEDSA-N 399.944 1.656 0 50 GDAA O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccc(F)cc1F 19924185 LEQVDBSFSCFLFF-UHFFFAOYSA-N 380.380 1.331 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 2359570 WCCWZWJFVPCHCD-MRXNPFEDSA-N 395.415 1.427 0 50 GDAA CCCN1CCC2(CC1)OCCc1cc(C(=O)N3CCCNC(=O)C3)sc12 1857685283 GSZDVKWLWMLOFD-UHFFFAOYSA-N 391.537 1.984 0 50 GDAA COc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)N3CCSCC3)C[C@@H]2OC)cn1 1857689462 FEMJADHCHZJDNA-BPUTZDHNSA-N 393.509 1.579 0 50 GDAA CCn1cnnc1CCNC(=O)C1(OC)CCN(C[C@H]2C[C@@H]3CC[C@H]2O3)CC1 1857701032 OBRVJPIONVAJPX-IXDOHACOSA-N 391.516 1.005 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3cccc(CO)c3)CC2=O)s1 1857715888 MWHWGWVGFMGULE-CQSZACIVSA-N 390.465 1.236 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccnc2)cc1 12307217 CUWSQOLTOAMOAB-LJQANCHMSA-N 399.495 1.179 0 50 GDAA Cc1c(C(=O)N[C@H](C)Cn2cnc3c(cnn3C)c2=O)cc(Cl)nc1Cl 1875369606 YLRMAGIXZFJYTL-MRVPVSSYSA-N 395.250 1.959 0 50 GDAA CN1C[C@@H](NC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)CC1=O 1875370785 DGOZVKPDJMLXJA-ZETCQYMHSA-N 388.737 1.295 0 50 GDAA Cc1cncc(CN2CCC(c3ncc(C(=O)N4CCNC(=O)[C@@H]4C)o3)CC2)c1 888103062 DFZQHCVATOTODN-HNNXBMFYSA-N 397.479 1.718 0 50 GDAA Cc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](NC(=O)CCc4ccncc4)[C@H]3C2)cc1 1775992847 WJPJDBUVNZYUCC-RUYXUALKSA-N 392.459 1.534 0 50 GDAA Cn1cc(-c2nc(=O)o[nH]2)cc1C(=O)NCCc1nc(Cc2ccccc2)no1 2325821804 BQALYZSUSUGTHC-UHFFFAOYSA-N 394.391 1.315 0 50 GDAA Cc1ccccc1CC(=O)NC1CC(O)(CNC(=O)c2nc[nH]c3nccc2-3)C1 2325875765 BNMKEAOEVVVAAT-UHFFFAOYSA-N 393.447 1.200 0 50 GDAA O=S1(=O)CC[C@H](N(Cc2cnn(-c3ccccc3)n2)C[C@@H]2CCCO2)C1 245811346 OWSFLUGGLZQTDB-ROUUACIJSA-N 376.482 1.435 0 50 GDAA O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 4749938 HFIKKTDXIMXGBK-UHFFFAOYSA-N 388.445 1.605 0 50 GDAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 225395391 JJTRTWAHHDRQKI-MISYRCLQSA-N 383.492 1.823 0 50 GDAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)c1 55036655 DLAVYLJUOBRJAX-IBGZPJMESA-N 385.439 1.841 0 50 GDAA O=C(NCCCc1ccccn1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20212603 IYQVGAHMCSFXGT-GOSISDBHSA-N 388.512 1.091 0 50 GDAA Cc1cn(CC(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)c(=O)[nH]c1=O 65428080 LWKZIEYDACXNMJ-UHFFFAOYSA-N 379.800 1.702 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(Cc3cc(C)nc4ccccc34)C2=O)nn1 328610779 JCBQPGOQOOYVNU-GOSISDBHSA-N 394.435 1.649 0 50 GDAA Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCCc3cn[nH]c3)nc2c1=O 72476137 NBTOPPFJIMASCS-UHFFFAOYSA-N 380.383 1.535 0 50 GDAA CO[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)C1 216303778 MTLCMUABSXPSRF-HNNXBMFYSA-N 379.438 1.404 0 50 GDAA O=C(CNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)NC1CC1 71753308 UCQSVURLWAUEPX-SFHVURJKSA-N 399.539 1.153 0 50 GDAA COC[C@@H](O)CN1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 127518252 BJYBTFCGZAFJDA-SFHVURJKSA-N 387.484 1.086 0 50 GDAA CC(C)[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 333433450 KNEWVQUWUVUDLW-SJORKVTESA-N 388.530 1.137 0 50 GDAA O=C1CN([C@@H]2c3ccccc3C3(CCN(c4cnccn4)CC3)[C@H]2O)CCCN1 20255754 XGWMMJKVZMSCGA-RTWAWAEBSA-N 393.491 1.252 0 50 GDAA COc1cc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(C)cc1C 223592613 PDFKNNLWICGHLM-LEHRNKBSSA-N 379.482 1.836 0 50 GDAA CNC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)c2)o1 426552354 QEVAFBYKCDJDPO-FQEVSTJZSA-N 383.404 1.973 0 50 GDAA O=C(NC1CCCC1)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 95387246 ZGMWVMZLDGVKLB-UHFFFAOYSA-N 377.470 1.319 0 50 GDAA c1nc(N2CCOCC2)ncc1CN1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95375043 FCULQSLKGLUXPS-YLJYHZDGSA-N 387.528 1.388 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)oc2C)CN1C(=O)COC 96153372 ZXWHNMUMUGDVFC-HOCLYGCPSA-N 379.457 1.111 0 50 GDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 95511362 XJPLJJBODRCLDT-LLVKDONJSA-N 380.388 1.150 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)cc1O 91986289 WQQSYRBBGIKPPS-CQSZACIVSA-N 376.453 1.626 0 50 GDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1sc3nc[nH]c(=O)c3c1C)CC2 91644943 YRGNAXQZWPZYMT-NEPJUHHUSA-N 377.466 1.685 0 50 GDAA CCOCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3cccnc3)[C@H]2C1 534655038 PIKWIFVGIGVKNO-FUHIMQAGSA-N 375.469 1.315 0 50 GDAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1-n1ccnc1 376598685 DWTHTDUVWSMSFI-UHFFFAOYSA-N 386.433 1.458 0 50 GDAA CN(C)[C@@H](C(=O)N1CCC(c2nnc(CO)n2C)CC1)c1ccc(F)cc1 299795105 NUJVWAJGXGCBRG-QGZVFWFLSA-N 375.448 1.455 0 50 GDAA CN1CCc2cc3c(c(OCC(=O)NCCc4ccccc4)c2C1=O)OCO3 827841248 LMIGELHKJXZQDP-UHFFFAOYSA-N 382.416 1.781 0 50 GDAA biogenic Cn1cncc1C(=O)NCC1CCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1 827693716 GRSITNSQSRUKEQ-OAHLLOKOSA-N 388.468 1.264 0 50 GDAA COc1cccc2c1OCCCN(C(=O)NC[C@@H]1CN(C(C)=O)CCO1)C2 584902424 QRZXEZYEHLAOPP-MRXNPFEDSA-N 377.441 1.237 0 50 GDAA O=C(NCc1n[nH]c2c1CCCCC2)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 670446936 XQUTYIOPQGEWLJ-HNNXBMFYSA-N 394.541 1.194 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1O 1616071057 QOXOWWCIEYGUPX-HIFRSBDPSA-N 394.449 1.396 0 50 GDAA Cc1nc[nH]c1CC(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@]2(CO)C1 1772814125 LAIOVOJFRQJTFO-YCRPNKLZSA-N 392.463 1.161 0 50 GDAA CCc1ccccc1NC(=O)N1C[C@H]2CN(Cc3ncnn3CC)C[C@@]2(CO)C1 1772809970 BFODXKZSYVNJHC-UTKZUKDTSA-N 398.511 1.819 0 50 GDAA COC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 12374086 BSDKSYCTXKPASK-UHFFFAOYSA-N 381.392 1.010 0 50 GDAA Cc1ccccc1CN[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 14539420 ISPMGTXHQPASNU-IHPCNDPISA-N 379.460 1.501 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccsc1 15067042 JHYZRZKFJRKZRV-MSOLQXFVSA-N 382.493 1.909 0 50 GDAA CCOC(=O)C1=CN(CC(=O)N(C)c2cccc(C)c2)S(=O)(=O)N=C1C 169771885 PKPLZEBMGNFTJR-UHFFFAOYSA-N 379.438 1.426 0 50 GDAA O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1)c1ccccc1 1857684795 DLQZOKHYDMZEPY-JOCHJYFZSA-N 399.491 1.437 0 50 GDAA CC(C)=CCN1CC(=O)N2[C@H](C[C@@H](C(=O)N3CCOCC3)[C@H]2CC(C)C)C1 1857690793 LQEREQZARTYZJD-GUDVDZBRSA-N 377.529 1.759 0 50 GDAA CN(C)c1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C2CCOCC2)CO3)cn1 1857692528 JHRGMXPYDLIARG-OAQYLSRUSA-N 398.511 1.808 0 50 GDAA O=C(c1n[nH]c2c1COCC2)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857720646 CZZXCBHDSFSRIP-FVJLSDCUSA-N 394.431 1.397 0 50 GDAA CCCCS(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1nccn1CCOC)C2 1857730808 YCRHCLOTAQKJGJ-VQFNDLOPSA-N 384.546 1.459 0 50 GDAA O=C(NCCc1cc[nH]n1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857738971 HDEVIOJXHNTLPK-AWEZNQCLSA-N 396.476 1.564 0 50 GDAA CCN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)[C@H](C)C1=O 1875271681 WTWKEUKQRPJELU-CYBMUJFWSA-N 386.452 1.797 0 50 GDAA CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CNC(=O)CC12CCC2 1875285292 JGYYPXNKKJXIJP-HOTGVXAUSA-N 387.480 1.757 0 50 GDAA COc1ccc(S(=O)(=O)N[C@@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)cn1 1875298027 MIODKDFETBGVDX-KWQFWETISA-N 376.360 1.753 0 50 GDAA CC(C)(Cc1cn(-c2cncc(C(=O)O)c2)nn1)NC(=O)c1cncc(F)c1 1875324928 OEYMLVOZXSMCFP-UHFFFAOYSA-N 384.371 1.646 0 50 GDAA C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(C)(C)C3=CCNC3)CC2)C1 1875301404 ITTMQCSSHINWGT-WMZOPIPTSA-N 376.545 1.381 0 50 GDAA Cc1cc(F)c(C(=O)N2CCC(O)(CNC(=O)c3conc3C)CC2)cc1F 1775990824 HNYVEKZHOBEPBO-UHFFFAOYSA-N 393.390 1.967 0 50 GDAA O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1-c1ccc(Cl)cc1 9184319 LOVHQGRYDMCSDE-UHFFFAOYSA-N 375.797 1.660 0 50 GDAA O=C(CCc1nc(O)n[nH]1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 2100537771 UWDAPDBDGRMVFJ-QLFBSQMISA-N 391.859 1.427 0 50 GDAA C[C@@H](N=c1cnc(C(=O)N2CCNCC2)c[nH]1)c1ccn(-c2ccccc2)n1 2325793015 BUKVJYOBLDGHQU-OAHLLOKOSA-N 377.452 1.303 0 50 GDAA CCOC(=O)c1cnn(C[C@H](O)CN[C@@H](CO)c2c(C)cc(C)cc2C)c1 2325804108 VLRRGTOSDKQVQO-MSOLQXFVSA-N 375.469 1.669 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(Cc2cc(=O)n3[nH]cnc3n2)CC1 2356162546 MTJNQQUCDGCGEI-UHFFFAOYSA-N 381.436 1.490 0 50 GDAA O=C([C@H]1CCCN1C(=O)Cc1cccs1)N1CCC(C2OCCO2)CC1 110408562 MLQOCMVUDXVWTN-MRXNPFEDSA-N 378.494 1.893 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)c3ccc(O)nn3)C2)n(-c2ccccc2)c1=O 67847052 METRVWHNWHGVEZ-ZDUSSCGKSA-N 380.408 1.086 0 50 GDAA CC[C@@H](C(=O)N1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 67338731 UCZFUGYFHKOQNB-AWEZNQCLSA-N 378.853 1.883 0 50 GDAA CC(C)=CCN1CCN(Cc2cccc3nonc23)[C@H]2CS(=O)(=O)C[C@H]21 72431237 FCQOZDABSTUJGB-SJORKVTESA-N 376.482 1.472 0 50 GDAA Cc1nnsc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@H]13)O2 77353460 GZDUBSQGJAHUPG-KTMFAHBVSA-N 376.482 1.385 0 50 GDAA NC(=O)Cn1cc(C(=O)N[C@H](c2cccnc2)c2cc3ccccc3o2)nn1 363570955 FLSCEDMDPXNLNM-GOSISDBHSA-N 376.376 1.424 0 50 GDAA CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)/C=C/c2cccc(Cl)c2)C1=O 364246344 UEUMBAPRQYPRRH-YTQJUZQYSA-N 397.884 1.951 0 50 GDAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)on1 71777284 TZEUKGZTSCFSOT-MRXNPFEDSA-N 390.484 1.158 0 50 GDAA CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 72437492 BJJKWQIWGLXSPD-HNNXBMFYSA-N 387.933 1.560 0 50 GDAA CCCCN1CCN([C@@H](C(=O)NCc2nc(C)c[nH]2)c2ccccc2)C(=O)C1=O 77470555 FKMMDIOINDIFPN-GOSISDBHSA-N 397.479 1.547 0 50 GDAA 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N[C@H]1CC[C@@H](n2cc(C(=O)Nc3ccc(CC(=O)NC4CC4)cc3)nn2)CC1 952966173 CJUFZJAGBQQXQY-KDYLLFBJSA-N 382.468 1.794 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CCc4[nH]ncc4C3)CC2)cc1 270209041 LEQQZNRWLNUJAG-KRWDZBQOSA-N 396.491 1.827 0 50 GDAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 271047697 SFFAUSDZCHZJSV-ZDUSSCGKSA-N 389.481 1.079 0 50 GDAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1 272368974 AZGFLMSQXWFSBL-LLVKDONJSA-N 391.243 1.176 0 50 GDAA C[C@@H]1CN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CCN1 188401726 KTHWITPUWIWDSH-LLVKDONJSA-N 389.315 1.822 0 50 GDAA CCCc1nc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)nn1-c1ccccc1F 191850240 NKVRXZTWFXRVRV-CYBMUJFWSA-N 394.472 1.866 0 50 GDAA Cn1c(CO)nnc1C1CCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1 1506417573 ANOQYLUNERRGIL-GOSISDBHSA-N 384.484 1.246 0 50 GDAA Cc1cc(CC(=O)N2CCCN(C(=O)c3cnc(O)c(Cl)c3)CC2)on1 1529138438 ALNOKZQHVKWZEH-UHFFFAOYSA-N 378.816 1.654 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(CO)C1 1772811783 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COc1ccnc(CNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)c1 215384890 JAEADQJJKBVQAW-UHFFFAOYSA-N 375.450 1.805 0 50 GDAA O=C(c1cccc(O)c1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77485637 BZXLXJQBZLUQDM-MOPGFXCFSA-N 386.473 1.516 0 50 GDAA CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)n1 328609757 FSSQUWSCJOGZQV-MRXNPFEDSA-N 393.425 1.057 0 50 GDAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3c[nH]nc3-n3cnnn3)CC2)OC1=O 77470357 PKWBDJUDMIAVIB-GFCCVEGCSA-N 388.432 1.001 0 50 GDAA CC(C)(O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 151499730 NAEDLKBKGIUDEY-OAHLLOKOSA-N 396.482 1.889 0 50 GDAA O=C(c1ccc(N2CCCNCC2)nc1)N1CCCN(c2ncccn2)CC1 71751985 AIHKLSOFCYMDIJ-UHFFFAOYSA-N 381.484 1.024 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1C(=O)O 365815475 LEDKGTARNYEPNA-UHFFFAOYSA-N 391.449 1.969 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(C)c1OCC(=O)O 262175810 LWWWWACVXIFNMU-OAHLLOKOSA-N 386.408 1.036 0 50 GDAA O=C(NCCN1CCc2sccc2C1)N1CCC(N2CCCNC2=O)CC1 132069232 UHZYKUIAJAHPNQ-UHFFFAOYSA-N 391.541 1.696 0 50 GDAA O=C(NC1CCC(O)(c2cccnc2)CC1)N1CCO[C@]2(CCCOC2)C1 287830435 CDYODVMXZHFAGY-SKINQDTJSA-N 375.469 1.803 0 50 GDAA O=C(c1cnc2c(O)cccn2c1=O)N1CCCN(Cc2cccs2)CC1 426420289 XBWPFQCCHYQORN-UHFFFAOYSA-N 384.461 1.810 0 50 GDAA Cc1cc(N)nc(C)c1-c1ccc(C(=O)NCCS(=O)(=O)N(C)C)cc1 426551908 BNJWXMWCTYANSI-UHFFFAOYSA-N 376.482 1.569 0 50 GDAA O=C(NCc1cnc2c(c1)CCC2)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 426490096 LIJKJMPWKLOGCX-KRWDZBQOSA-N 377.510 1.086 0 50 GDAA Cc1ccc([C@@H]2CN(C(=O)c3cnn4cc(CCO)cnc34)C[C@H]2N(C)C)cc1 95516534 DYRHRKPBRXEQGN-VQTJNVASSA-N 393.491 1.742 0 50 GDAA NCCO[C@H]1C[C@@H](O)C12CCN(C1CCN(c3ccccc3F)CC1)CC2 91468606 FVKRIVASXGTPNE-UXHICEINSA-N 377.504 1.985 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CN1CCc1c[nH]cn1 95529575 MRLPLIYWSRIYNN-OAQYLSRUSA-N 396.495 1.709 0 50 GDAA O=C(Cn1ccccc1=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 147463389 NGGIQQYKKWWDRE-UHFFFAOYSA-N 389.477 1.065 0 50 GDAA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@H]1O2 247377889 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CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CCCO2)CC1 16489512 GXILAQJUCIWLIZ-MRXNPFEDSA-N 375.425 1.718 0 50 GDAA C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C 206246700 PJJGLWOTKJCVLK-WBMJQRKESA-N 391.431 1.891 0 50 GDAA COCCCn1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 5306074 XBEWHDBLKSGPSD-CQSZACIVSA-N 384.436 1.595 0 50 GDAA C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 4867203 QJUDJNZSKDRNLQ-ZIAGYGMSSA-N 381.498 1.778 0 50 GDAA CN(C)c1ncccc1-c1nc(-c2ccccn2)nn1[C@@H]1CCS(=O)(=O)C1 1857674318 DAJUNOUWGTXPRO-CYBMUJFWSA-N 384.465 1.828 0 50 GDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NC[C@H]3CCOC3)sc12 1857683376 RKTCCRXRROUDLU-CYBMUJFWSA-N 394.493 1.463 0 50 GDAA Cc1c(CN2CCC3(CC2)CC(=O)NCCO3)c(=O)n(-c2ccccc2)n1C 1857684901 JRWXHWRUAOPNHW-UHFFFAOYSA-N 384.480 1.356 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCCNc2cccnc2)C[C@H]1NC1CCOCC1 1857693392 VIINJWLMRDFTTB-PWIZWCRZSA-N 390.528 1.952 0 50 GDAA NCc1nc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)co1 1857708333 OIPONAAGNXGEQA-OFQRWUPVSA-N 376.844 1.731 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3csc(C)n3)CC2=O)s1 1857714430 UNMCUPWCHUCUBB-JTQLQIEISA-N 381.483 1.509 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3cccc4[nH]ccc34)CC2=O)s1 1857720523 YCKASMKOHAOJMT-LBPRGKRZSA-N 385.449 1.835 0 50 GDAA Cc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)NCCc3cscn3)C[C@H]2O)n1 1875248371 NCCCZNNDKXEXLM-YSVLISHTSA-N 388.493 1.465 0 50 GDAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 900984579 NRKFNVDQNOELPK-MUQADHOPSA-N 386.414 1.883 0 50 GDAA CCn1c(=O)c(=N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)[nH]c2ccccc21 1875398998 LDLKKKFKWOONFB-XGWLTEMNSA-N 387.871 1.940 0 50 GDAA Cc1cc(-c2cn([C@@H]3CN(C(=O)c4ccn(C5CC5)n4)C[C@H]3O)nn2)cnc1F 1875338326 UBZACAYBPANTPR-IAGOWNOFSA-N 397.414 1.377 0 50 GDAA CC1(C)O[C@]2(CCCN(C(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)C2)NC1=O 2325784352 WUGYUUMIOKRYSR-HSMVNMDESA-N 394.390 1.214 0 50 GDAA NC(=O)C1CCN(c2cccc(NC(=O)c3c[nH]c4ncnc(O)c34)c2)CC1 2325862720 FQCJUVYUANRWCM-UHFFFAOYSA-N 380.408 1.618 0 50 GDAA CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(-n2ccnn2)ccc1F 905908090 JKAHDSQRPRJXBI-OAHLLOKOSA-N 380.445 1.692 0 50 GDAA NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1 949112 HDNRHHYECNEQKO-UHFFFAOYSA-N 377.809 1.770 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)CC[C@H]2C)cc1 225463457 VOKYYEQNHQZORO-SHACYNPGSA-N 386.539 1.700 0 50 GDAA COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cn1 170625635 OUYXCPKAXQWWQN-INIZCTEOSA-N 382.420 1.972 0 50 GDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1 65364878 YVWUBZCBHGUMMD-UHFFFAOYSA-N 387.505 1.694 0 50 GDAA CC(C)S(=O)(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 67983381 DDJNEJKYZSIKPS-UHFFFAOYSA-N 378.498 1.564 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 65362557 ZQGLROYTMDHLTE-INIZCTEOSA-N 393.509 1.923 0 50 GDAA CCn1cc(NC(=O)CCn2nc(C)c(Br)c2C)c(C(N)=O)n1 2780418 JJRVRKFNSNLXBW-UHFFFAOYSA-N 383.250 1.607 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1 328628227 GZYBAZQDXUWXJS-CQSZACIVSA-N 375.860 1.824 0 50 GDAA CCN(C)[C@@H](C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 328627674 GLVIXAYIXCDCQT-YLJYHZDGSA-N 382.512 1.785 0 50 GDAA O=C(c1cccnc1)N1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 328906468 BNQPWWOBYQVWFC-UHFFFAOYSA-N 394.475 1.512 0 50 GDAA Cn1cnnc1CCC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 72144198 AZFPEDGCTCNRCP-IBGZPJMESA-N 382.512 1.903 0 50 GDAA NC(=O)c1ccc(-c2nc3c(c(N4CCc5n[nH]cc5C4)n2)CCNC3)cc1 71747163 IFHHOCGBHJBRIH-UHFFFAOYSA-N 375.436 1.174 0 50 GDAA CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccn3)c2)C1 216081750 NFLILPSGJZPCNL-INIZCTEOSA-N 375.450 1.421 0 50 GDAA CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)C1CCSCC1 77387069 QWDZLLZQLXAWDI-UGNRZPKXSA-N 399.516 1.718 0 50 GDAA CCOc1ccc(CN2CCN(c3cc(C(N)=O)ccn3)C[C@@H]2CCO)cc1 72473247 DMZVPFKDMPAHBO-SFHVURJKSA-N 384.480 1.652 0 50 GDAA C[C@H]1CN(Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C[C@@H](C)O1 237618074 OSYURPPIDPENJC-FUHIMQAGSA-N 375.513 1.681 0 50 GDAA O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 285638310 IFLCKHRAGRWKPO-SFHVURJKSA-N 389.419 1.811 0 50 GDAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 178119527 BFZPVYMNCXJGKE-AWEZNQCLSA-N 375.498 1.646 0 50 GDAA CSCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CCN1CCCCCC1=O 82134105 QXBQITZRWOAZGK-GJZGRUSLSA-N 387.521 1.587 0 50 GDAA CN1CCC(CN2CCN(C(=O)[C@H](c3ccccc3F)N(C)C)CC2)CC1 91664960 DQCMZCDXNHUZPM-FQEVSTJZSA-N 376.520 1.914 0 50 GDAA Cc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)nnn1C1CCNCC1 237421327 MEEKDZBVJNPUIG-CQSZACIVSA-N 394.483 1.925 0 50 GDAA Cc1cc(CN2CCN(C(=O)c3cn(-c4ccc(F)cc4C)nn3)CC2)on1 179272791 PJHMPQUVTWBSIN-UHFFFAOYSA-N 384.415 1.969 0 50 GDAA COc1ccccc1-n1cc(CNC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)cn1 426674376 USYROQXUURUICU-CVEARBPZSA-N 383.452 1.691 0 50 GDAA CCc1nc(C[C@@H]2CN(C(=O)Nc3ccc(OC)nc3OC)CCO2)no1 95527164 WMILSIUEACSHPQ-LLVKDONJSA-N 377.401 1.520 0 50 GDAA COc1ccc2[nH]c(CNC(=O)c3cc(S(N)(=O)=O)ccc3F)cc2c1 95360431 QWFCPMJTGVESEL-UHFFFAOYSA-N 377.397 1.893 0 50 GDAA C[C@H]1CN(C2CCN(c3cc(N4CCC(O)CC4)ncn3)CC2)C[C@@H](C)O1 95366002 HLLVAISLPZAWDS-IYBDPMFKSA-N 375.517 1.516 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CN3CCOC(C)(C)C3)c2)CC1 95506212 UAUBMMKDPBQZQL-HXUWFJFHSA-N 391.556 1.675 0 50 GDAA O=C(CN1CCOC1=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95523080 OMJBIRXASXPKIF-CYBMUJFWSA-N 375.454 1.546 0 50 GDAA CCn1c(CN2CCN(C3Cc4ccccc4C3)CC2)nnc1[C@H]1C[C@H](N)C1 244873542 WRXJBJZCPVQQNE-WGSAOQKQSA-N 380.540 1.788 0 50 GDAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)C2=O 299107326 QQBULRPKDVGQHK-VFNWGFHPSA-N 395.463 1.989 0 50 GDAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cnc(Nc4ccccc4)nc3)C2)n1 253535260 JJCWSVFDJDSXDD-VDISTLRHSA-N 377.408 1.974 0 50 GDAA O=C(NCCc1nc2ccc(F)cc2[nH]1)N1CCC(N2CCOCC2)CC1 534654995 LTFWBCYSIACBAT-UHFFFAOYSA-N 375.448 1.751 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)NCCCN3CCC[C@@H](O)C3)cc12 670439908 XOVZOKNPOPZMOY-CQSZACIVSA-N 379.482 1.374 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)N(C)Cc1cnn(-c2ccccc2C)c1 952975673 GBXOXIMMGDGWRD-KRWDZBQOSA-N 378.498 1.968 0 50 GDAA CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)O)C2)ccc1Br 269217570 YUHJLYHYNHLQDS-SECBINFHSA-N 376.228 1.399 0 50 GDAA COc1cccc2c(O)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cnc12 170600162 DKJBFIIHTOAUJJ-CQSZACIVSA-N 399.447 1.660 0 50 GDAA C[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)N1CCCCC1=O 188804711 NXJUCWJYTHVJLL-CQSZACIVSA-N 388.468 1.886 0 50 GDAA Cc1cccc(NC(=O)CC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1 1506407016 NJXNHWNKQHFQNY-HNNXBMFYSA-N 387.436 1.248 0 50 GDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCN(CC(C)C)[C@H](CCO)C3)c12 1529101878 QIJOLTXIQGULAE-CQSZACIVSA-N 375.473 1.504 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4ccncc4)no3)C[C@@H]2O)n[nH]1 1704355362 RXOKBLPYUILLJI-WBVHZDCISA-N 396.451 1.548 0 50 GDAA COc1ccccc1CCC(=O)N1CCCN(Cc2cc(O)nc(O)n2)CC1 1772712587 TYWAGDSGGZHNBS-UHFFFAOYSA-N 386.452 1.564 0 50 GDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(CCCc2ccccc2)nn1 12053702 RMAISMHHVGOTEW-QGZVFWFLSA-N 386.452 1.705 0 50 GDAA Cn1ccnc1SCCNc1nc2nonc2nc1N1CCSCC1 12305879 WBRPZZSPCFHAGP-UHFFFAOYSA-N 378.487 1.504 0 50 GDAA Cc1n[nH]c(C)c1CN(C)C(=O)CCCn1nnnc1CN1CCC(C)CC1 12612509 XGLDIYOCGQWKOU-UHFFFAOYSA-N 388.520 1.684 0 50 GDAA C[C@@H](CCO)N1CC(=O)N(CC2CCOCC2)C[C@H](OCc2ccccn2)C1 14743923 WAQXYPOBEFFYHX-FXAWDEMLSA-N 391.512 1.309 0 50 GDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)sc1C 15076518 WPVVRAKBCPJNFO-QGZVFWFLSA-N 386.521 1.809 0 50 GDAA COc1ccc(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 1460663 OXZHQARLHMHRHI-HNNXBMFYSA-N 379.482 1.724 0 50 GDAA O=C(NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccs1 4955886 WTVUABKXDDFCFF-WJCADGGCSA-N 380.425 1.991 0 50 GDAA Cc1ccc(N2CCC3(CC2)OCCc2cc(C(=O)NCCO)sc23)nn1 1857687718 AYUHBFJFUHXSSL-UHFFFAOYSA-N 388.493 1.637 0 50 GDAA CC(=O)NCCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857695527 NDUQEUYZKZTNKU-NRFANRHFSA-N 395.463 1.577 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccn(C(F)F)n3)C1)CC2 1857702972 KRWOWTCCRPNJDH-GOSISDBHSA-N 392.410 1.960 0 50 GDAA CCOCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccc(F)c3)[C@H]3CC[C@]2(C1)O3 1857724946 GLQQYKPPUJPZSI-XKGFGPFHSA-N 390.455 1.988 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccn3C)CC(=O)N2[C@H]1c1ccccc1 1857726311 LHTAKOYUVXFJJF-BXWFABGCSA-N 381.432 1.612 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)Cc3cn(C)c4ccccc34)C[C@H]2CO1 1857726360 NEULZPDFISMOER-BZSNNMDCSA-N 398.507 1.157 0 50 GDAA Cc1c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cnc2ccnn12 1857737110 XUMKPUONGPMGSN-ZIFCJYIRSA-N 377.448 1.982 0 50 GDAA O=C1CCOC2(CCN(C(=O)[C@H]3CCCN(C4CCCCC4)C3)CC2)CN1 1857740915 SRBBVGVAGQLZNH-KRWDZBQOSA-N 377.529 1.929 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1C 4988404 GUKLZAZXIIWQEB-MRXNPFEDSA-N 391.497 1.064 0 50 GDAA COCCCn1c(C(=O)N[C@H](C)COC)cc2c(=O)n3cccc(C)c3nc21 5246741 PTRSBFJIXYKDCP-CQSZACIVSA-N 386.452 1.759 0 50 GDAA CC[C@@H](C)n1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 10233566 GJNGJEJHISKTPV-CQSZACIVSA-N 386.500 1.915 0 50 GDAA O=C1CCCc2ccc(S(=O)(=O)NC(=O)c3cnc4ccccn4c3=O)cc21 1875260220 ZQUFHGXUMIHJQR-UHFFFAOYSA-N 397.412 1.332 0 50 GDAA O=C(O)[C@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)Cc2ccnn2C1 1875294020 KTVSOKVLGSSUSY-NSHDSACASA-N 381.335 1.930 0 50 GDAA O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(n2ccc(O)nc2=O)CC1 1875310670 XWGJVEKKGROWPT-OAHLLOKOSA-N 375.812 1.770 0 50 GDAA C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cn(C2(C(N)=O)CC2)nn1 1875358363 SXNWBYYQQJUEBN-CYBMUJFWSA-N 393.451 1.068 0 50 GDAA O=C(NCC[C@@H]1CCC(F)(F)C1)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 893565380 NGCDKDUOGGCRKO-YTFOTSKYSA-N 381.423 1.918 0 50 GDAA Cn1ncc2c(N3CCOC[C@@H]3CNC(=O)c3cc4ccccc4o3)ncnc21 1775991908 OOQNGGNCNOYCTI-AWEZNQCLSA-N 392.419 1.745 0 50 GDAA CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1 9288548 BWLLXLLUYSADCJ-GXTWGEPZSA-N 382.438 1.196 0 50 GDAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2cnc3cccnn23)CCCCN1 2100533058 XLAGWAJQXIZSJD-QGZVFWFLSA-N 398.511 1.716 0 50 GDAA NS(=O)(=O)CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760116 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CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(S(N)(=O)=O)ccc1C 55414436 VNNQCAGTZLLQSQ-UHFFFAOYSA-N 380.470 1.886 0 50 GDAA O=C(CCN1CCCO1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55569007 DGOQPXPMWVDXJC-SFHVURJKSA-N 390.503 1.966 0 50 GDAA CC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CC1 67604831 QZLSERSCTFQXJU-UHFFFAOYSA-N 382.486 1.326 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2ccccc2OC(F)F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65405663 ACYVIOGUMLTGMI-JJFYZRJRSA-N 382.363 1.485 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(N)nc1-c1ccccc1 67539823 KKXLFZKFYXLXQB-HOCLYGCPSA-N 382.468 1.136 0 50 GDAA CCN(CC)CCn1c(-c2ccc(C)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 170624325 AMYYBVOIOZCWTB-UHFFFAOYSA-N 394.479 1.993 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3[nH]cnc3C)C2)cc1 11936302 DKXJAKZGEWUJGS-HNNXBMFYSA-N 378.498 1.917 0 50 GDAA Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCN2CCNC(=O)[C@H]2C1 65526282 XOTAMBLCVKIQRM-MRXNPFEDSA-N 382.420 1.097 0 50 GDAA CCN1C[C@@H](C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)CC1=O 32346384 VOPBPRUUISAREG-INIZCTEOSA-N 375.469 1.216 0 50 GDAA COC(=O)c1cn(CCNC(=O)c2cc3sc(N(C)C)nc3s2)nn1 253421347 LCHFZYHYYVOVRB-UHFFFAOYSA-N 380.455 1.232 0 50 GDAA COc1ccc(OCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 4690129 AVUWKEZCOWYWRA-UHFFFAOYSA-N 380.447 1.956 0 50 GDAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cn(CC(C)C)cn2)C1 328634874 UJKBNFWHBDVMEP-UONOGXRCSA-N 395.485 1.950 0 50 GDAA Cc1cccc(OCCC(=O)N(CC(=O)O)C2CCN(S(C)(=O)=O)CC2)c1 328649807 VDCHOOGAYVKRCE-UHFFFAOYSA-N 398.481 1.101 0 50 GDAA COc1ccc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 328616873 CEOGJTNQKVHJTL-QGZVFWFLSA-N 377.466 1.360 0 50 GDAA O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN2C(=O)N=C(O)[C@@H]2C1 329514872 CZAAKKRSHSMXBT-JTQLQIEISA-N 395.297 1.972 0 50 GDAA CCOC(=O)C[C@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 12763020 YVLBGQLYEREUCF-ZDUSSCGKSA-N 379.438 1.911 0 50 GDAA COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)O)C3)s2)cc1 34927257 GCOZTGRFAVBWBX-JTQLQIEISA-N 390.421 1.736 0 50 GDAA C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 333068471 UMEWJHNAGALBFO-CABCVRRESA-N 386.539 1.654 0 50 GDAA CC[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1ccccc1 77136000 XBADQRLKDCLWOL-AEFFLSMTSA-N 381.542 1.890 0 50 GDAA COCCNS(=O)(=O)c1cccc2c1CN(C(=O)c1cc(C)on1)CC2 77458986 XQMPUSYMUDZAEP-UHFFFAOYSA-N 379.438 1.106 0 50 GDAA CN1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)c2ccc(F)cc21 174439167 HVDLHMGGQBIFBX-UHFFFAOYSA-N 395.442 1.963 0 50 GDAA Cc1[nH]nc(CCC(=O)N2CCn3nc([C@H](O)c4nccn4C)cc3C2)c1C 222739044 HPLNROZTPWIODR-SFHVURJKSA-N 383.456 1.013 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1=O 82145603 JEDIUOKPALPRGT-UHFFFAOYSA-N 383.404 1.048 0 50 GDAA Cc1ccc(OCCNc2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)cc1C 426503618 VVXDBMNNNHHUQD-MRXNPFEDSA-N 384.480 2.269 0 50 GDAA Cc1nn(C)c(C)c1CN1CCC[C@H](CNC(=O)c2c(C(=O)O)cnn2C)C1 20617723 NSPNUVHUAFSRCN-CQSZACIVSA-N 388.472 1.111 0 50 GDAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc(Cn3cncn3)nc2O)c1 91548135 QHWLSEDWBSSEIE-INIZCTEOSA-N 380.408 1.808 0 50 GDAA CCn1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)cc1=O 95353524 QPJSAJNCCULSSZ-HRAATJIYSA-N 382.416 1.646 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cc3c(nc2OC)CCC3)C[C@H]1NS(C)(=O)=O 95522225 SPFHPHULPAJEOU-CZUORRHYSA-N 381.498 1.369 0 50 GDAA COc1cccc(F)c1C(=O)N1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1 95388230 PBFWWEQHQVPNEY-GXTWGEPZSA-N 387.477 1.327 0 50 GDAA COCCN1CC[C@]2(CCC1=O)CN(C(=O)NCc1ccco1)CCN2C 91651499 XUKNZIYSTIPFPM-LJQANCHMSA-N 378.473 1.134 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cnn4ccccc34)C[C@H]2CCCO)CC1 95352746 BBFQMCDOIKOKMA-MJGOQNOKSA-N 385.512 1.185 0 50 GDAA Cc1ccc2cccc(NC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2n1 97480306 PUZMJSBOIBYZNN-UHFFFAOYSA-N 377.470 1.499 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 96141013 ZHKFOKXWZPCZAG-UHFFFAOYSA-N 378.436 1.574 0 50 GDAA CCCc1cc(N2CCC(N[C@@H]3CC(=O)N(CCOC)C3)CC2)nc(C)n1 96132629 UYYVCBJCFZOLIX-GOSISDBHSA-N 375.517 1.543 0 50 GDAA C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)NC(=O)[C@H]1CCCC[C@H]1C(=O)O 245232389 UWZCIQUKICESSU-NIFZNCRKSA-N 382.457 1.389 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)nc3)cn2)C[C@@H](C)O1 298878044 XNGFGSWPBVUXFR-BETUJISGSA-N 390.465 1.746 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NC1CCCC1 54093191 MBBFKOXVEQREEO-YOEHRIQHSA-N 387.523 1.475 0 50 GDAA Oc1cccc(CN2CCC[C@@H](NCc3cnc(N4CCOCC4)nc3)C2)c1 952965650 QPLHDPLDMMEGEX-LJQANCHMSA-N 383.496 1.773 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc21 275218529 BTBGQUBIEWJDTQ-OAHLLOKOSA-N 388.493 1.723 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1c(O)nc(=O)c2ccccc21 268942262 LYSRVALODPHGRW-BJJXKVORSA-N 385.420 1.737 0 50 GDAA O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccnn1CC(F)F 280011232 CPKPAMYAIDCBAX-UHFFFAOYSA-N 376.371 1.573 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1O 1616080264 NNOKLSBLJXBHOP-CJNGLKHVSA-N 399.513 1.633 0 50 GDAA Cc1nonc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506410543 VKBCNFNRSWBDCE-UHFFFAOYSA-N 377.304 1.858 0 50 GDAA COc1ccc([C@@H](C(=O)O)N2CCC(O)(CN3CCCC3)CC2)cc1OC 1506406509 DXWHZQYHUJZLQO-SFHVURJKSA-N 378.469 1.752 0 50 GDAA CCCn1cc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)cn1 1529142959 ZYDMHAARSBTVKE-SJORKVTESA-N 376.844 1.819 0 50 GDAA Cc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CCOCC2)C1 221951006 SDZBIAOMVUFVIC-HIFRSBDPSA-N 385.461 1.408 0 50 GDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1ccccc1OCCCN1CCOCC1 1772805385 MSVMVCREBFPGCU-QUCCMNQESA-N 387.524 1.983 0 50 GDAA CN(C)C[C@@]12CN(Cc3cccnc3N)C[C@@H]1CN(C(=O)c1ccccc1F)C2 1772806492 AGHGKXICEQTAJX-VGSWGCGISA-N 397.498 1.939 0 50 GDAA COc1ccc(CCN2CCC(CN(C)C(=O)C3=NNC(=O)CC3)CC2)cc1 12299616 FNQPXKHZLPDLBO-UHFFFAOYSA-N 386.496 1.674 0 50 GDAA CC(=O)NCCC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1 12308013 IYLABNZJZDGKDS-UHFFFAOYSA-N 395.507 1.859 0 50 GDAA O=S1(=O)CC[C@H](S(=O)(=O)Nc2c(F)c(F)c(Cl)c(F)c2F)C1 4338753 FEWCICCNKYLUSH-BYPYZUCNSA-N 381.756 1.825 0 50 GDAA COc1cccc(CC(=O)NC[C@@H]2CCC[C@H](NC(=O)c3cc(=N)[nH][nH]3)C2)c1 1857671949 ZIGWPSMDEDMFJE-CABCVRRESA-N 385.468 1.478 0 50 GDAA C[C@H](O)CNC(=O)c1cc2c(s1)C1(CCN(c3cnccn3)CC1)OCC2 1857704917 LAJDSZSQTKGQQR-ZDUSSCGKSA-N 388.493 1.717 0 50 GDAA Cc1nc(O)cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)n1 1857716287 FZHFVTCSPWIRBX-SNVBAGLBSA-N 376.442 1.135 0 50 GDAA CCc1nccn1CCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857735210 MXLNOVGIVJEQID-RXVVDRJESA-N 389.471 1.789 0 50 GDAA COc1ccccc1N1C(=O)C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 5016365 ROWAEIXQGJTIBN-HNNXBMFYSA-N 389.452 1.880 0 50 GDAA O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)C1 262390477 ILHPORNEMGXLCV-STQMWFEESA-N 387.429 1.726 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CC2)[C@@H]3O)c(C)o1 1704336340 GKJWQAGABWPCRM-VQTJNVASSA-N 390.480 1.937 0 50 GDAA C[C@@H]1CCc2ccccc2N1S(=O)(=O)NC(=O)[C@H]1CNC(=O)c2ccccc21 860529278 CWAVDUVNOQUSLE-DYVFJYSZSA-N 399.472 1.716 0 50 GDAA O=C(c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2COC3(CCNCC3)C2)CC1 1875294274 PWOLEGHKMYUUDI-KRWDZBQOSA-N 389.471 1.659 0 50 GDAA CCOC(=O)c1c(C)nc(N2C[C@@H]3[C@@](C(F)(F)F)(C2)CS3(=O)=O)nc1C 1875328767 LSBXYXKVIBEZOC-QMTHXVAHSA-N 393.387 1.436 0 50 GDAA C=CC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)[C@@H](C)C1 1875381457 VTINEYDEWAFGAY-LBPRGKRZSA-N 386.477 1.564 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCNCC3(F)F)CC2)cc1 886043298 KMVZZUIWHFTWFS-HNNXBMFYSA-N 387.452 1.073 0 50 GDAA CCOC(=O)[C@H]1CSCCN1C(=O)C1CCN(c2nc(C)cc(C)n2)CC1 2325809456 OCJLTMZFHAXGCM-MRXNPFEDSA-N 392.525 1.817 0 50 GDAA CC(C)(C)[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)N1CCCC1=O 2325813195 VJCPEAMMGJRILC-KNQAVFIVSA-N 387.524 1.777 0 50 GDAA CCCn1ccc(C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325895496 BTUAOYGCNKTSSE-INIZCTEOSA-N 395.419 1.306 0 50 GDAA COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 902461 ATDQKGLIFBEDJL-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA Cc1ccccc1Cn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C 1127260 MIQXTZPLTQYKEZ-UHFFFAOYSA-N 379.420 1.996 0 50 GDAA biogenic CCOCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 1889108 VSISPQBGESFWAZ-UHFFFAOYSA-N 378.429 1.891 0 50 GDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc3nnc([C@@H](O)C(C)C)n3c1)C2 2356157196 DVSFPIZYGYFZSY-INIZCTEOSA-N 398.423 1.058 0 50 GDAA COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)CCc1nc(-c2ccccc2F)no1 55042251 LZBCIQNPYLYTQX-HNNXBMFYSA-N 399.382 1.658 0 50 GDAA NC(=O)c1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 107001726 MUHARRHWOPKBSM-AWEZNQCLSA-N 376.407 1.532 0 50 GDAA O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 247795830 RCRPUMKCTQRJKC-GXTWGEPZSA-N 379.507 1.737 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCc3ccncc3)C2=O)c1OC 67771096 VMNUOYIVEDYUNU-NRFANRHFSA-N 385.464 1.742 0 50 GDAA Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(N2CCOCC2)n1 64799850 NKRBTAWQKNQNEF-UHFFFAOYSA-N 385.443 1.723 0 50 GDAA CN1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)CC1 21264419 DJAAKYSOKFWBFO-UHFFFAOYSA-N 389.456 1.471 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329820156 PIQAHLGIQAPFMR-SMLCLMEVSA-N 384.432 1.656 0 50 GDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)c3ccon3)CC2)C1 71756822 DEWGLJTYWQYDNG-INIZCTEOSA-N 397.479 1.703 0 50 GDAA Cc1cnc(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N 32577651 AFNAQTLXBYTMJC-HNNXBMFYSA-N 388.545 1.424 0 50 GDAA C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 281308578 KKSJLEHXRORDLH-VBQJREDUSA-N 386.452 1.571 0 50 GDAA CCCOc1ccc(S(=O)(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 332446777 KKVWAQKNPBEHBN-SFHVURJKSA-N 395.481 1.474 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 77488155 DOBLXOHCOGIELF-CVEARBPZSA-N 394.493 1.110 0 50 GDAA CCN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]4C(c5ccc(Br)cc5)=NO[C@@H]43)[C@@H]2C1=O 240786052 HZWCRAJDTXSOOD-BIDNSIISSA-N 391.221 1.570 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc(N(C)C)nc2)c1 71419163 BVKSRDVGEWACJD-UHFFFAOYSA-N 379.438 1.438 0 50 GDAA C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(=O)NCc1ccccc1 172876182 AICXONQPUVQYLN-APWZRJJASA-N 394.475 1.755 0 50 GDAA CC(C)C(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N(C)C)C3)cc2C1 77375799 VAVCIVGGLAEPLM-KRWDZBQOSA-N 379.526 1.552 0 50 GDAA COCCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@H]13)O2 77424138 OJMHDGIYGFDSSQ-WEMPKCCASA-N 384.476 1.690 0 50 GDAA Cc1nn(C)c2nc(-c3cccnc3)nc(NCCSc3nnnn3C)c12 72409496 RHEXPKWLZMVQKU-UHFFFAOYSA-N 382.457 1.461 0 50 GDAA COc1ccc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2=O)cc1 82134817 CIGOFHMOEZFSNO-UHFFFAOYSA-N 379.420 1.705 0 50 GDAA CN(CC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1)Cc1ccncc1 223416068 AAVOEXZOCUTKAP-SJORKVTESA-N 376.482 1.460 0 50 GDAA COCCN1CC[C@@H](NC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)C1 290901889 CMQCGKNYPIBAKW-UYAOXDASSA-N 379.476 1.483 0 50 GDAA Cc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1N1CCNC1=O 91807882 MDIRYNAMWGINQK-UHFFFAOYSA-N 377.408 1.635 0 50 GDAA CC(C)=CCN1CC2(CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)CC1=O 91943032 FEALJINFPINXFB-QGZVFWFLSA-N 385.512 1.833 0 50 GDAA Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 91997471 WQZCSVSJZJSTHM-SFHVURJKSA-N 386.496 1.456 0 50 GDAA Cc1c(NC(=O)CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cnn1C 244741956 NZOUYBUGPXGEMC-MRXNPFEDSA-N 376.482 1.356 0 50 GDAA Cc1cc(O)c(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c(C)n1 299795181 NXXVHFALCCBQAO-GDBMZVCRSA-N 376.482 1.534 0 50 GDAA Cn1ncc(-c2ccccc2)c1NC(=O)NCCS(=O)(=O)N1CCCC1 299793751 HIEWYIDCPLDTKC-UHFFFAOYSA-N 377.470 1.634 0 50 GDAA CNC(=O)c1noc(CNC(=O)N2CCC[C@H](COc3ccccc3C)C2)n1 584902010 ZTRBDVPAYRJEOS-AWEZNQCLSA-N 387.440 1.738 0 50 GDAA CCOCC(=O)N1CCC(C(=O)Nc2ccc(NC(=O)COC)cc2)CC1 952968539 MCXHVBZMMPGIEN-UHFFFAOYSA-N 377.441 1.485 0 50 GDAA O=C1C[C@@H](C(=O)N2CCOc3ccc(CO)cc3C2)CN1Cc1cccnc1 952990935 KCZLHPUREOWGNY-GOSISDBHSA-N 381.432 1.344 0 50 GDAA CCSc1ncc(CN2CC[C@]3(O)CCN(C(=O)COC)C[C@@H]3C2)cn1 1565528311 MYDUJBJUQQBBMJ-YJBOKZPZSA-N 380.514 1.020 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 1565527944 FVNCJTJELRWGHA-ZNMIVQPWSA-N 381.480 1.851 0 50 GDAA CC1(O)CN(C(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)N2CC(C)(O)C2)(C4)C3)C1 407987641 ZKGNITJBWGWTOT-XFKLWTPLSA-N 376.497 1.150 0 50 GDAA O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN2CCCC[C@@H]2C1 195060546 QSTXPEXQSANZLA-QGZVFWFLSA-N 392.525 1.179 0 50 GDAA CC[C@@H](C(=O)Nc1csc2nc(=O)c(C)nn12)N1Cc2ccccc2C1=O 1506404454 XXFHGVLMGQQSRU-ZDUSSCGKSA-N 383.433 1.833 0 50 GDAA Cc1ccc(-c2ccccc2CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)o1 1529198965 QWQZEBRREHHBLD-FUHWJXTLSA-N 378.494 1.939 0 50 GDAA O=C(Cc1ccc(O)cc1)N1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 1529111965 CTPRJVYZNRDSHK-UHFFFAOYSA-N 380.448 1.977 0 50 GDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)C[C@@H]21 1704299009 MSPWGUFITUMJNE-SIXWZSSISA-N 380.510 1.964 0 50 GDAA CN(C)c1nc2c(c(N3CCC4(CC3)NCC(C)(C)CNC4=O)n1)CCCC2 1772808839 CGSCPGMWKSPCRC-UHFFFAOYSA-N 386.544 1.506 0 50 GDAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@@H](C)CO)CC3)cc1 14535368 PWWSTISXUDKYTA-HNNXBMFYSA-N 375.469 1.347 0 50 GDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccncc1)CC2 14543734 QKACWTCJSMIKLN-UHFFFAOYSA-N 387.484 1.212 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(F)c2)no1 169755770 XSEJBINYJYZHTB-UHFFFAOYSA-N 380.357 1.454 0 50 GDAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 1857670886 HPGZLZVPXXALRT-FQEVSTJZSA-N 387.436 1.216 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCCc2cnn[nH]2)CC[C@@H]1NC(=O)c1cc(C)oc1C 1857693780 MHGLZWYTUMSYFR-JQFCIGGWSA-N 389.456 1.287 0 50 GDAA CS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)nc1 1857697791 MSMSKRAEQSXXCL-IBGZPJMESA-N 387.461 1.739 0 50 GDAA O=C(c1nc2ncccn2n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857715503 VCJVDAFCDVBGBO-MDOVXXIYSA-N 390.403 1.039 0 50 GDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4nc[nH]n4)CC3=O)sc2c1 1857731148 LXVZUZFTSQKISP-SNVBAGLBSA-N 386.437 1.482 0 50 GDAA C[C@H](OC(=O)c1cccc(Br)c1)C(=O)NCCN1CCOCC1 225857498 MKSVNHLSXPPELO-LBPRGKRZSA-N 385.258 1.443 0 50 GDAA NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](CN2CCCC2)C1 127501815 ZDFNCDCLXKCHTI-KXBFYZLASA-N 383.496 1.692 0 50 GDAA CCN1CCN(CCNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 363168939 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426440293 ORRSREWPBATTQI-IAGOWNOFSA-N 377.416 1.804 0 50 GDAA CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(CCCC)C(=O)[C@@H]21 239287360 CQTGTFWTWVGWGS-ONUKOXERSA-N 384.476 1.851 0 50 GDAA CN1CCN(CCC(=O)N2CCCc3ccccc32)C[C@]12CCNC(=O)CC2 95365804 HTSLJXGFCVLMQN-QFIPXVFZSA-N 384.524 1.642 0 50 GDAA COc1ccc(CN(C)CC2CCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95516799 HEMZRMJWKPABDE-FQEVSTJZSA-N 391.556 1.914 0 50 GDAA CN1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95526580 DPDRQNDZIOQRRJ-KRWDZBQOSA-N 385.512 1.506 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nc(C)n[nH]3)C2)c1 97136857 XZLBLOFZUQYHRE-GFCCVEGCSA-N 378.458 1.433 0 50 GDAA CC[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)C1 91935114 WJOKCUOQQLSTFT-INIZCTEOSA-N 376.425 1.607 0 50 GDAA O=C(Cc1ccc(F)c(F)c1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95375468 QXKYSDHWBLJUGS-IAGOWNOFSA-N 382.451 1.279 0 50 GDAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 95518903 IIQTUBBTSHKXJH-INIZCTEOSA-N 385.497 1.387 0 50 GDAA O=C(Nc1ccc2[nH]ccc2c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 96152221 MURPCIKERROFHI-UHFFFAOYSA-N 377.470 1.658 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 243919571 BPAYDXVVNYWCAO-OKILXGFUSA-N 384.440 1.049 0 50 GDAA Cc1ccc(SCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1 244691852 JKBPAOPZWDVRIP-AWEZNQCLSA-N 388.493 1.550 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)NCCc1nc(Cc2ccccc2)no1 827861532 KKOULIDTKJRVST-UHFFFAOYSA-N 378.388 1.927 0 50 GDAA CC(=O)N[C@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(C)o1 1565508410 WIWIYNFSORTOMU-ROUUACIJSA-N 376.478 1.966 0 50 GDAA CN1CCN(CCOc2ccccc2CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)CC1 1772811307 VRRZAGCFTQTRIX-QUCCMNQESA-N 386.540 1.223 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1nc(-c2ccccc2)no1 11843189 URLRRTBLTXOKJI-OAHLLOKOSA-N 385.468 1.589 0 50 GDAA COCCCn1c(CN(C)CCCN2CCCCC2)cnc1S(C)(=O)=O 11936293 DDAUOEWFRUENTO-UHFFFAOYSA-N 386.562 1.631 0 50 GDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 12136082 KCZGMZGXWVWCSK-OAHLLOKOSA-N 391.859 1.785 0 50 GDAA COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)cc2)n(C)c1=O 12374019 IOUWWCDNTDRKPZ-CQSZACIVSA-N 383.452 1.639 0 50 GDAA Cn1cnnc1SCCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 14948614 KZPLDGGAJQLZBL-AWEZNQCLSA-N 391.472 1.601 0 50 GDAA O=C(NC(C1CC1)C1CC1)c1coc(CN2CCN(c3ncccn3)CC2)n1 14978906 VRMXLNYLZDLDRR-UHFFFAOYSA-N 382.468 1.705 0 50 GDAA O=C(NCCCO)c1cn(C2CCN(Cc3ccc(F)c(F)c3)CC2)nn1 14991743 PCUYZNUSXDWVRB-UHFFFAOYSA-N 379.411 1.506 0 50 GDAA Cc1cc(C(=O)N2CCC(C3CCNCC3)CC2)cc(S(N)(=O)=O)c1C 1857680534 PCEOMSJRATZKMN-UHFFFAOYSA-N 379.526 1.803 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCc2cc(C3CC3)n[nH]2)CC[C@@H]1NC(=O)c1cnccn1 1857689451 DNGKITYOEBHFHS-YEWWUXTCSA-N 398.467 1.307 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCCc3c2c(C)nn3C)CC1 1857697233 LICKAKMZFYHVGI-CQSZACIVSA-N 384.502 1.215 0 50 GDAA O=C(CCC(F)(F)F)N[C@H]1CCC[C@@H](NC(=O)CCCn2cncn2)C1 1857698796 INSPCQYCBVNXGJ-OLZOCXBDSA-N 375.395 1.944 0 50 GDAA Cc1cnc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCc3ccccc3)C2)cn1 1857704466 SRJPKVMGVWUUEK-PGRDOPGGSA-N 393.491 1.828 0 50 GDAA CC[C@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 117155008 ONYFXMVJOJRZEB-INIZCTEOSA-N 376.501 1.886 0 50 GDAA COCCN1C(=O)C[C@@H](CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)[C@@H]1c1cnn(C)c1C 328629348 OSCSIIMBFYMNKJ-MZCHELMPSA-N 390.528 1.668 0 50 GDAA COc1ccc(-n2cc(C(=O)NCc3cc(C(F)(F)F)nn3C)nn2)cc1 831061761 WLWHFIWFOXFWIX-UHFFFAOYSA-N 380.330 1.958 0 50 GDAA O=S(=O)(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc2c1CCCC2 1875399248 TVMZFWAPAQRTJG-ZTFGCOKTSA-N 375.494 1.880 0 50 GDAA COC(=O)c1cccc(O[C@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C2)c1 1875312441 CKWHNXOUZHEJGL-HNNXBMFYSA-N 381.392 1.513 0 50 GDAA COc1cc(Cl)cc2cc(C(=O)N3CCO[C@H](c4nnn(C)n4)C3)oc12 2100539466 JTUUNVTULDRIII-ZDUSSCGKSA-N 377.788 1.832 0 50 GDAA NCc1cn(-c2cccc(CNC(=O)N3CCC(c4cnc[nH]4)CC3)c2)nn1 2325855966 XEJJVNCEPWFZSB-UHFFFAOYSA-N 380.456 1.538 0 50 GDAA COc1cnccc1-c1ccc(C(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)cc1 2356157698 RGRYJPYQOJYLCV-HKUYNNGSSA-N 381.432 1.829 0 50 GDAA Cc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCOCC1 6697656 QQWOUBIWQPGGQT-UHFFFAOYSA-N 375.450 1.341 0 50 GDAA C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462587220 IFZWWEFWLRCKFL-GOEBONIOSA-N 381.448 1.648 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nccn3C(C)C)CC2)C1 67851220 DNCNJWOTFVKKTN-SFHVURJKSA-N 391.560 1.903 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 67688591 BQERXKKJLGSPGQ-KOLCDFICSA-N 386.524 1.016 0 50 GDAA COc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(OC)c1 4601874 JBQBERUOTIBDDA-UHFFFAOYSA-N 375.469 1.650 0 50 GDAA CCC(C)(C)NC(=O)C[C@@H]1COc2ccc(C(=O)NCCOC)cc2N1C 71746588 RRTWNYKVDMIYIH-OAHLLOKOSA-N 377.485 1.955 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nc(C)ncc3C)CC2)C1 71615210 DOKZCAKCJGFSPF-KRWDZBQOSA-N 375.517 1.537 0 50 GDAA CCOCC1(CNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)CC1 71747835 LXTIFSMSLPUDRH-INIZCTEOSA-N 389.496 1.909 0 50 GDAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cccc3nonc23)C1 328624455 JXMJKRYIDKTSTE-CMPLNLGQSA-N 391.409 1.634 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N2C[C@H](C)O[C@@H](C)C2)n1C 328632513 LIYCXDPURBWZON-ZOBUZTSGSA-N 376.501 1.548 0 50 GDAA COC(=O)CN1CCC[C@H](CNc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 253630213 DFFPSRKFOYQEPK-CQSZACIVSA-N 396.451 1.818 0 50 GDAA CCNC(=O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 239331330 KMNOMCBRTAPRTN-ZIAGYGMSSA-N 381.498 1.504 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 77301955 IQZBSBLUYZWMOZ-OZIGNCPNSA-N 393.443 1.924 0 50 GDAA COCCN(C)CCN1CC2(CCN(C(=O)[C@]3(C)CCCCO3)CC2)OC1=O 77407837 IJDOHUPDKZVUKO-IBGZPJMESA-N 397.516 1.337 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC(C)C)CC1 41890527 DYTOIIMYMGWEBD-UHFFFAOYSA-N 381.498 1.825 0 50 GDAA CCOc1ncccc1C(=O)N1CCn2nc([C@@H](O)c3nccn3C)cc2C1 222364519 IAVLOKLBUMUHMV-MRXNPFEDSA-N 382.424 1.148 0 50 GDAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)Cn1nnnc1N 95512334 CQYNNIKBBRJMMX-HNNXBMFYSA-N 391.907 1.322 0 50 GDAA O=C(CCc1ccc2c(c1)OCO2)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91664892 VJGFCXOZKWGIHK-MSOLQXFVSA-N 377.437 1.099 0 50 GDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 239338672 KXKLBHOJLHFLEY-UWTPGLLQSA-N 383.400 1.617 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)CN1Cc1cccnc1 95358161 REDKJPYUKQBKSQ-LJQANCHMSA-N 379.464 1.170 0 50 GDAA CC1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3COCCO3)c2)CC1 95360307 PAKYSBXKZGPLJB-INIZCTEOSA-N 382.482 1.252 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCCN(Cc2cccnc2)C1 91645588 OEGTZJVAGMJLFQ-GOSISDBHSA-N 377.448 1.572 0 50 GDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cc(=O)[nH]c2ccccc12 91426238 UHKVXQURVNDPDW-CYBMUJFWSA-N 377.466 1.462 0 50 GDAA O=S(=O)(N1CCCC1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95527607 UTADTFKRGWYBHF-MRXNPFEDSA-N 375.498 1.846 0 50 GDAA Cc1cc2nc(C(=O)N[C@H]3C[C@@H](c4nnc(CN(C)C)n4C)C3)cc(C)n2n1 243900873 AWPSTHPPSBSRDD-OKILXGFUSA-N 382.472 1.212 0 50 GDAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3c[nH]nc3-c3ccccc3)C2)n1C 244633304 GASUAQIZVDCGDA-SHTZXODSSA-N 379.468 1.943 0 50 GDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@H]1CCNC1=O 534631875 VSONNPPMSWNHRZ-ZETCQYMHSA-N 379.316 1.429 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(C)C)CC4)c3CO2)cc1 263619625 ZQXCMDQUSYIHSO-SFHVURJKSA-N 385.468 1.724 0 50 GDAA C[C@H]1N(C(=O)c2cccc(S(C)(=O)=O)c2)CCC[C@@]12CCCN(C)C2=O 1940194708 IHGGARUPOKETKU-KUHUBIRLSA-N 378.494 1.953 0 50 GDAA Cn1cc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)C2CC2)cn1 1940196084 IZHRKOWPJFQQCN-MSOLQXFVSA-N 388.855 1.821 0 50 GDAA O=C(COc1cccc(F)c1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299801578 YYEAAKRVYIBRSQ-UHFFFAOYSA-N 386.427 1.860 0 50 GDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccn(C(F)F)n1 670435745 BYNRPUUMKWQEDG-GBXVCHKXSA-N 387.434 1.576 0 50 GDAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCCN(CC(N)=O)C2)cc1 952992012 VKUPBVJUPTZSGW-MJGOQNOKSA-N 389.496 1.400 0 50 GDAA CC(C)c1cccc(O[C@@H](C)C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)c1 275683704 MMNNRDYTTSBGQB-MAUKXSAKSA-N 378.469 1.821 0 50 GDAA O=C(CN1CCc2c(O)cccc21)NCC(=O)Nc1ccc(F)c(F)c1F 170598108 KXZIPQPNQLQFBD-UHFFFAOYSA-N 379.338 1.927 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)C1 1506423586 IZLWBWBFYIWGNG-OAHLLOKOSA-N 393.513 1.512 0 50 GDAA O=C1CC[C@H](N2CCCN(S(=O)(=O)N3CCCC3)CC2)CCN1CC1CC1 1506398549 RGWPHARMAKYNRQ-SFHVURJKSA-N 398.573 1.126 0 50 GDAA CC(C)N1CCCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529094590 IBZPKWLOIJMHND-MSOLQXFVSA-N 379.888 1.839 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c1C 1800410084 NZKDQJSDVUGFIP-HNNXBMFYSA-N 377.441 1.432 0 50 GDAA Cc1ccccc1N1CCC(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1775979229 YYAHIJPUODYYKL-IBGZPJMESA-N 384.524 1.777 0 50 GDAA COc1cc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc(OC)c1OC 13495680 XCGMRBSSFXJSDX-RDBSUJKOSA-N 377.441 1.440 0 50 GDAA CCc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccccc4)C(=O)N3C2)cc1 14541646 JFJAEGPWABLNHH-ZCNNSNEGSA-N 391.471 1.689 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCSCC2)cc1C 15064458 PASWCZVAHVYVSM-INIZCTEOSA-N 377.510 1.270 0 50 GDAA COc1cc(CC(=O)N2CCC[C@H](N3CCOCC3)C2)cc(OC)c1OC 19842168 HGNLNHOORLTZAP-INIZCTEOSA-N 378.469 1.578 0 50 GDAA COc1ccc(NC(C)=O)cc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 169772636 ZDCKRBLZTQCKNG-MRXNPFEDSA-N 396.403 1.733 0 50 GDAA biogenic Cc1ccccc1C(=O)NCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 169839311 GWJOCGKRUDLROP-CQSZACIVSA-N 379.416 1.526 0 50 GDAA C[C@@H](C(=O)N1C[C@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1)N1CCCCCC1 1857527102 RSECJKPYPQQAJO-IMJJTQAJSA-N 390.484 1.118 0 50 GDAA NC(=O)C[C@H]1CN(C(=O)c2ccc(Br)c3c2OCCC3)C[C@@H]1O 1857531280 DELYWBJLBHCJJV-ZANVPECISA-N 383.242 1.082 0 50 GDAA O=C(C1CCOCC1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1C(=O)CCc1cccnc1 1857679959 CBBIXOSRYBQULQ-FGYAAKKASA-N 383.492 1.889 0 50 GDAA Cc1nnc(CN2CCOC3(CCN(Cc4cnn(C)c4)CC3)CC2=O)s1 1857683371 RHEQOFKRLAFIHD-UHFFFAOYSA-N 390.513 1.364 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCCn3nc(C)cc3C)CC2=O)s1 1857700803 HTDYUKXDUYZJBZ-ZDUSSCGKSA-N 392.485 1.057 0 50 GDAA Cc1ccccc1CC1(NC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)CC1 248122014 YAWHVLOSLHKZRX-OALUTQOASA-N 385.508 1.271 0 50 GDAA NC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccccc1OC(F)F)C2=O 1875266488 VACMDLUKOLGRSY-ZMZPIMSZSA-N 381.379 1.910 0 50 GDAA COC(=O)[C@@]1(C)CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 1875298338 XSRQIGHRQRZOJG-OAHLLOKOSA-N 375.830 1.148 0 50 GDAA CS(=O)(=O)NC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1875390721 CJAYBJCAPOBXNV-UHFFFAOYSA-N 396.428 1.387 0 50 GDAA O=C(CN1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)N=c1cco[nH]1 1875393213 JFABCBKVZVHJEI-UHFFFAOYSA-N 398.389 1.233 0 50 GDAA Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C 1875302933 OHJFGFHCJIHNMA-UKRRQHHQSA-N 390.484 1.815 0 50 GDAA CCS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)c1 888100045 YYHTXODBDSXGKU-MRXNPFEDSA-N 379.482 1.433 0 50 GDAA Cc1noc(Cl)c1CC(=O)NC/C=C/CNC(=O)CCOCC(F)(F)F 1775996967 OPTBGSPBWBLIBQ-NSCUHMNNSA-N 397.781 1.937 0 50 GDAA Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)NC(C)(C)C 1076803 VCDCOXVCFLLPAH-UHFFFAOYSA-N 386.485 1.524 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C[C@H]1NS(=O)(=O)C(C)C 2100544701 FYPBQBBABKPPTK-RRFJBIMHSA-N 386.518 1.318 0 50 GDAA Cc1c(Cl)cccc1-n1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c(=O)cc1C 1857797939 FSUMCDTUGFLOAN-LBPRGKRZSA-N 388.811 1.038 0 50 GDAA CCOC(=O)c1c(NC(=O)Cn2cnnc2[S@](C)=O)sc(CC)c1C 2325727712 JWZJLXQZACQLPT-VWLOTQADSA-N 384.483 1.763 0 50 GDAA CCn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1 2325786229 VMWXKICGORIMDU-BMGDILEWSA-N 380.452 1.731 0 50 GDAA CC(=O)N1CCC2(C1)CN(C(=O)N1CCCc3ccc(-c4cnn(C)c4)nc31)C2 2325798297 HGKVKFUSKJLVJH-UHFFFAOYSA-N 394.479 1.909 0 50 GDAA COc1cc2cnn(CC(=O)N3Cc4nccc(C)c4C3)c(=O)c2cc1OC 2325802364 CFOCXVXYOIERPG-UHFFFAOYSA-N 380.404 1.660 0 50 GDAA COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 1049332 GIHFNISCVMEPRA-LLVKDONJSA-N 380.397 1.918 0 50 GDAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1 1140030 DPQCGCSFPBWPND-UHFFFAOYSA-N 399.472 1.570 0 50 GDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2 2356154743 IBLLKJSUCVUHJN-KXBFYZLASA-N 380.485 1.543 0 50 GDAA COc1nc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)nn1C 2356162222 CEDGCBKSDXZAPY-IBGZPJMESA-N 384.440 1.016 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)C1 58066879 SVIAFKLVEAXEMI-HNNXBMFYSA-N 393.509 1.923 0 50 GDAA Cn1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2c1c(=O)[nH]c(=O)n2C 53555319 KGOKXMHJKWTTSV-UHFFFAOYSA-N 379.424 1.221 0 50 GDAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCC[C@H]1C 248120161 UWPKGLYQRHQFBY-BCDMZGRMSA-N 378.561 1.601 0 50 GDAA CC(C)C[C@H](C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1)n1cccc1 409414922 ZDORWLJHDNOMPY-GOSISDBHSA-N 396.557 1.950 0 50 GDAA Cn1ncc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c1C(N)=O 2771042 UNGAVWGCCODQMV-UHFFFAOYSA-N 395.139 1.286 0 50 GDAA CN(C)CCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71767675 OMICTWWDSOBERS-HXUWFJFHSA-N 387.572 1.826 0 50 GDAA Cc1c(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cnn1-c1ccccc1 122383862 ODKQKNLPYPHTEM-UHFFFAOYSA-N 376.482 1.677 0 50 GDAA O=C1C[C@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CO1 328605197 MIYGWTPJMSTCBK-XBHMSOGKSA-N 382.420 1.965 0 50 GDAA COc1cccc(N2C[C@H](NC(=O)c3nnc(O)c4ccccc34)CC2=O)c1 506118136 JFWXLDKSTKNCGE-GFCCVEGCSA-N 378.388 1.879 0 50 GDAA O=C(NCC1(c2ccccc2)CCOCC1)c1cn(CCN2CCOCC2)nn1 12200141 UGQSIZUJFQGLCC-UHFFFAOYSA-N 399.495 1.089 0 50 GDAA COc1ccc(-c2nnc(NC(=O)N3CCOC[C@H]3c3nc[nH]n3)s2)cc1 375497524 JCGZLFZOGKREEJ-LBPRGKRZSA-N 387.425 1.937 0 50 GDAA O=C(NC[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1)[C@@H]1CCCN1 261906926 SLVGRCYSKFHULY-WBVHZDCISA-N 390.553 1.213 0 50 GDAA CCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2F)c1 95358263 AFJHHCMYTVZZOG-QGZVFWFLSA-N 380.441 1.930 0 50 GDAA O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 92022580 WVRKXDRGJGCPEO-HUUCEWRRSA-N 386.414 1.843 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c1 97696353 LDRSAVOHMKHQOR-GFCCVEGCSA-N 377.319 1.902 0 50 GDAA Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 97636715 UZDHZNRAGPFDCO-UHFFFAOYSA-N 376.482 1.567 0 50 GDAA Cc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c(F)c1F 91474351 MZGXZMLHQKNHTH-UHFFFAOYSA-N 384.452 1.925 0 50 GDAA O=S(=O)(N1CCCC1)N1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95524842 RMMFESKYYWYMEH-QGZVFWFLSA-N 379.526 1.586 0 50 GDAA CN1CCN(C[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@@H]2CO)CC1 91643357 JBIIWDSNGRITEF-QZTJIDSGSA-N 379.932 1.587 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2C)CN1Cc1sccc1C 95511518 MFEGMQGDYNPFDF-HIFRSBDPSA-N 375.498 1.217 0 50 GDAA COCCCN1CC2(CCN(CC(=O)Nc3cn(C)nc3C)CC2)CC1=O 95353078 JTIUZCFQLITPQW-UHFFFAOYSA-N 377.489 1.018 0 50 GDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1c[nH]nc1-c1ccccc1 91416696 YMCWKKWRAJCNFK-UHFFFAOYSA-N 383.452 1.723 0 50 GDAA CN(C)S(=O)(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91664493 YUVBBANANXUJOR-UHFFFAOYSA-N 380.514 1.135 0 50 GDAA Cn1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21 263586966 AIDNKYQRBRMWEZ-HNNXBMFYSA-N 395.419 1.336 0 50 GDAA C[C@H](CN1CCN(C)CC1)N1CCOC2(CCN(Cc3ccoc3)CC2)C1 823789163 NTRFEHGIUCCGNG-LJQANCHMSA-N 376.545 1.582 0 50 GDAA O=C1CN(C(=O)c2ccc(CNc3nc(O)c4ccccc4n3)cc2)CCN1 301194148 JKNUCASGNOMBSX-UHFFFAOYSA-N 377.404 1.520 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCCc2nc(C)c3c(n2)CCCC3)C1 1506399817 QQHYOGGBSRQXAD-OAHLLOKOSA-N 382.530 1.399 0 50 GDAA CN1CCN(C(=O)c2cncc(N(C)Cc3cc(-c4cccnc4)no3)n2)CC1 1529159588 UKJIMQKNLMPDDT-UHFFFAOYSA-N 393.451 1.551 0 50 GDAA Cc1ccccc1N1CCC(N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1775979236 YYAHIJPUODYYKL-LJQANCHMSA-N 384.524 1.777 0 50 GDAA Cc1cnc(C(=O)N2C[C@@H]3CN(c4ncccc4F)C[C@@]3(CN(C)C)C2)cn1 1772804170 IGDKMLIEJSPGIG-YWZLYKJASA-N 384.459 1.459 0 50 GDAA Cc1nn2ncccc2c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1775979385 HOGJJGGTSKBXMX-UHFFFAOYSA-N 379.420 1.724 0 50 GDAA Cc1nccc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCCC2)[C@@H]3O)n1 1772705529 LONRRLPPPZTDEU-VQTJNVASSA-N 388.512 1.970 0 50 GDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(c3nccc(C)n3)CC2)[C@H]1O 1772705398 MVOPYORMWRWROA-DOTOQJQBSA-N 380.514 1.143 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 11663375 FWMAYTOEXLJUIJ-UHFFFAOYSA-N 399.886 1.671 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCCOc1cccnc1 11821454 ODKBCZVYXUOCKR-IBGZPJMESA-N 382.464 1.010 0 50 GDAA CCCn1cnnc1CNC(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12583951 SKGROKKWVBBZHC-KRWDZBQOSA-N 399.495 1.794 0 50 GDAA CN(C)S(=O)(=O)N[C@H]1CCC[C@@H](CNC(=O)CCCCc2cccnc2)C1 1857685523 LTPGGEHDLITYGN-MSOLQXFVSA-N 396.557 1.865 0 50 GDAA O=S1(=O)CC[C@@H](CCS(=O)(=O)N2CCC(c3ccnc(O)c3)CC2)C1 1857702127 ASAZWSQJOPMIAW-ZDUSSCGKSA-N 388.511 1.121 0 50 GDAA O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 333963273 NRZOHAPYRUXQBG-ZSXDVEMLSA-N 377.529 1.992 0 50 GDAA O=C(c1ccc2cc[nH]c2c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 154268989 ORPTWYSVFUVPAS-UHFFFAOYSA-N 392.463 1.757 0 50 GDAA O=C(CN1CCOCC1)N1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 158815716 RYHLOVDCKRWVOW-UHFFFAOYSA-N 388.443 1.457 0 50 GDAA COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)cc1S(=O)(=O)N(C)C 952886935 DYCISGNUDSRBEP-RYUDHWBXSA-N 399.469 1.520 0 50 GDAA CN(Cc1cn(C)nn1)C(=O)NCc1cc(Br)cc2c1OCC2 952993137 AHWIIFLERGJFBX-UHFFFAOYSA-N 380.246 1.854 0 50 GDAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CCC2)CC1 1875253391 ZSIPWENXIMCIRH-SFHVURJKSA-N 387.480 1.861 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N=[S@]2(=O)CCC[C@@]3(CCCN3)C2)c(C)o1 1875392999 CPNRWLIKILPQHQ-OWJWWREXSA-N 389.499 1.020 0 50 GDAA COC(=O)CCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 2354718 OBULZIVIZJIKTI-UHFFFAOYSA-N 395.419 1.307 0 50 GDAA COc1ccc(-c2cc(=NC(=O)c3nnc4nc(C)ccn34)[nH][nH]2)c(OC)c1 2100542906 JSYSHAYIMSZSHX-UHFFFAOYSA-N 379.380 1.514 0 50 GDAA CS(=O)(=O)c1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccn2)cc1 2100544745 HXHVRUQSFNBCNX-ROUUACIJSA-N 386.477 1.369 0 50 GDAA Cn1cc(C(=O)N2CC[C@](O)(c3cccc(Br)c3)C2)ncc1=O 2325800126 RAKGFCXYXDNZND-MRXNPFEDSA-N 378.226 1.277 0 50 GDAA Oc1ccc(N2CCN(c3cc(I)ncn3)CC2)cn1 2325802381 DDDKNOORPBRMGM-UHFFFAOYSA-N 383.193 1.508 0 50 GDAA CN1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c4cnccc34)C2)C1 2325808637 NOQBXGUNZACUPI-JKSUJKDBSA-N 383.496 1.412 0 50 GDAA CC(C)c1csc(CCN=c2ccc(C(=O)N(C)C[C@@H]3CCNC3)n[nH]2)n1 2325809130 IRCNKEZWIDRHSG-CQSZACIVSA-N 388.541 1.815 0 50 GDAA Cn1ccnc1C[C@@H](N)C(=O)N=c1ccn(-c2ccc(Br)cc2)[nH]1 2325856177 DXNUXOAPDVOOHF-CYBMUJFWSA-N 389.257 1.299 0 50 GDAA CCn1nnc(C)c1CN1CC2(C[C@@H](NC(=O)C[C@@H]3CCOC3)c3nccn32)C1 2332237985 SSYIKXQABXQDIQ-JKSUJKDBSA-N 399.499 1.002 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)[C@@H]3CC34CC4)C2)n2ccnc21)c1cc(C2CC2)no1 2332238028 VUZRTUKJRYMMNV-ZFWWWQNUSA-N 393.447 1.961 0 50 GDAA CN(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)OCc1ccccc1 2172629 DVAMMJKEMDVYOJ-KRWDZBQOSA-N 385.420 1.173 0 50 GDAA Cc1cc(O)nc(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n1 2356158434 KGBDAWMFUXEPMG-VWLHBSKXSA-N 393.447 1.439 0 50 GDAA O=C(CN1CCS(=O)(=O)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 110971176 WCCUELXQRRYWMC-UHFFFAOYSA-N 393.484 1.743 0 50 GDAA CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)CCc2nc3ccccc3[nH]2)C1 225768947 MEYGJOFEIWBLHY-CJNGLKHVSA-N 388.468 1.840 0 50 GDAA Cn1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)n1 170625650 BRPUMGSPHITVIN-HNNXBMFYSA-N 380.408 1.393 0 50 GDAA O=C1C[C@@H](C(=O)N2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CN1 67908920 JNKFMGPDWIRFES-GFCCVEGCSA-N 387.823 1.965 0 50 GDAA COc1ccc(CCNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN2C)cc1 67723145 INTGOYZBZPLRQW-ICSRJNTNSA-N 381.476 1.857 0 50 GDAA O=C(CCNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)N1CCCC1 67774577 DXDWSONFVZHRBW-HXUWFJFHSA-N 377.460 1.281 0 50 GDAA CN(C)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2cn[nH]c2-n2cnnn2)s1 23340498 NAOOZJWGFFFYFN-NSHDSACASA-N 386.441 1.126 0 50 GDAA O=C(c1cccnc1)N1CCc2c(ncnc2NCCCN2CCOCC2)C1 71730387 ZFKMSRYPWJTUFQ-UHFFFAOYSA-N 382.468 1.204 0 50 GDAA CC(=O)N[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 363107488 IERMCPXXIWUSQD-MRXNPFEDSA-N 393.434 1.944 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 363133913 ZXLVYRDADDRCCH-QUCCMNQESA-N 385.508 1.862 0 50 GDAA CCN(CC)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 363339349 VHJIQTQMSFBDMU-IRXDYDNUSA-N 387.480 1.963 0 50 GDAA CCCCN1CCN([C@H](C(=O)NCc2nnc(C)o2)c2ccccc2)C(=O)C1=O 77505961 CVMVUUHSHJDCMG-KRWDZBQOSA-N 399.451 1.206 0 50 GDAA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72437311 QANPTIBMEDYAEB-KRWDZBQOSA-N 397.479 1.429 0 50 GDAA O=C(CCn1cc(Cl)cn1)N1CCc2c(ncnc2N2CCOCC2)C1 71405638 YYXGAYLQBYWZNW-UHFFFAOYSA-N 376.848 1.138 0 50 GDAA CCC[C@H](C)N1CC2(CCN(C(=O)CN3CCCN(C)CC3)CC2)OC1=O 77556107 MLKRZZGRERSPAW-KRWDZBQOSA-N 380.533 1.626 0 50 GDAA O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)N=c1[nH]c2ccccc2[nH]1 40288302 NJTYRRXCQDQDLB-UHFFFAOYSA-N 392.463 1.837 0 50 GDAA C[C@H](NC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 426379653 HGSJHNOEYZKGCK-INIZCTEOSA-N 380.514 1.806 0 50 GDAA CC(C)CN1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C[C@H]1CCO 426504452 GWBJGEYIZZUNQN-MRXNPFEDSA-N 377.533 1.913 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)n1 97532375 JSVFQRRKEDSXKJ-IBGZPJMESA-N 383.496 1.865 0 50 GDAA O=C(CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1)N1CCNCC1 92066417 ULHPCOPQCZAPGQ-UHFFFAOYSA-N 384.524 1.323 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@H]2NC(C)=O)cc1 91645583 YHSGPUCPOCCPGY-DOTOQJQBSA-N 389.839 1.781 0 50 GDAA COC(C)(C)CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCN2C)c1 97528974 NITAICMFTOCEOG-INIZCTEOSA-N 397.541 1.604 0 50 GDAA CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CCN4CCO[C@H]3C4)c2)CC1 296724611 JNHVTBPGDLUEQS-UXHICEINSA-N 387.528 1.765 0 50 GDAA O=C(CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N[C@H]1CSC[C@H]1O 252527995 DXKWYIUGTPWDFM-JWHDQYKWSA-N 396.465 1.845 0 50 GDAA CCCn1nccc1S(=O)(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 823033270 NJXOCARDJYQNBA-CBHXASLJSA-N 391.501 1.306 0 50 GDAA Cc1ccc(CN2CCOC3(CCN(C(=O)CCCn4cncn4)CC3)C2)o1 827920935 BDTYSONCMMLIAG-UHFFFAOYSA-N 387.484 1.853 0 50 GDAA COc1ccnc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 670455238 SVQSCTKSHJDSAK-PWOUQQLPSA-N 378.476 1.388 0 50 GDAA CCn1c([C@H](C)O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1356488481 AASKDGGLVLWJNF-LBPRGKRZSA-N 383.449 1.001 0 50 GDAA O=C(c1ccc2nnc(O)n2c1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 1355230972 BRFRNPSFZZZENH-GJZGRUSLSA-N 379.420 1.557 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccn3)C2)nc(N)n1 952983314 KAEFKJVVGYSVAI-OAHLLOKOSA-N 396.495 1.935 0 50 GDAA COc1cccc(OC)c1OC[C@@H](O)CN1CCC[C@@H](c2n[nH]c(C)n2)C1 268462079 LBVLVTZOFXMAFV-CABCVRRESA-N 376.457 1.750 0 50 GDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1c(O)nc(=O)c2ccccc21 268942267 LYSRVALODPHGRW-XPKDYRNWSA-N 385.420 1.737 0 50 GDAA CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)C[C@@H]1c1nccn1C 276546505 FKHAYMRYRQCSSC-CYBMUJFWSA-N 386.481 1.980 0 50 GDAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)s1 170653288 DVCSUDRMXVGTGO-VXGBXAGGSA-N 377.470 1.818 0 50 GDAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 189195095 XIEHOFLAXRZVEW-JKSUJKDBSA-N 381.502 1.698 0 50 GDAA O[C@@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@H]1Cc1cnccn1 1529159943 VCVYKMHMDUAOCM-UYAOXDASSA-N 379.464 1.788 0 50 GDAA COc1ccc(CNC(=O)CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1OC 1704338574 UYGJCOHBZFECKJ-QZTJIDSGSA-N 385.464 1.250 0 50 GDAA COCCOc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12558716 JNLMJOHTSQLGJE-UHFFFAOYSA-N 383.408 1.009 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)Cn1ncc3ccccc3c1=O)CC2 14224356 XYDNRONWNASMGE-UHFFFAOYSA-N 379.416 1.999 0 50 GDAA biogenic O=C(Nc1ccccc1F)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14745685 LTIYRFYDUQBMHF-QGTPRVQTSA-N 396.422 1.658 0 50 GDAA CN(CCO)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 19148908 XQGNXDBPSLZJQW-UHFFFAOYSA-N 399.539 1.849 0 50 GDAA COc1ccc(/C=C2\SC(=O)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 19790598 RPLOIJGTASCUKD-SSZFMOIBSA-N 389.477 1.896 0 50 GDAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCN(C)CC1 19854029 MEIPUSUIHFYQIE-MRXNPFEDSA-N 394.475 1.831 0 50 GDAA O=C(CCc1cccnc1)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@@H]1O 1857673785 YFFAHSQCZXRUMB-MOPGFXCFSA-N 397.475 1.537 0 50 GDAA COC(=O)c1ccc([C@H]2CCCN(C(=O)c3cc4n(n3)CCN(C)C4=O)C2)cc1 1857679739 SHAGSQUHHGPQJB-INIZCTEOSA-N 396.447 1.775 0 50 GDAA Cc1sc2nc(CNS(=O)(=O)CC[C@H]3CCS(=O)(=O)C3)cn2c1C 1857706339 GEJWQGSXSGQGTG-GFCCVEGCSA-N 391.540 1.257 0 50 GDAA CN1CC[C@H](N2CCC3(CC2)CN(Cc2ccc(F)cc2)C(=O)CCO3)C1=O 1857713872 VDEMGNCLSQPIJQ-SFHVURJKSA-N 389.471 1.640 0 50 GDAA O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857725584 DIZUYCBDEDXPIP-WBMJQRKESA-N 380.326 1.755 0 50 GDAA CCS(=O)(=O)N1CCOC[C@H](CN2CCN(c3cc(C)ccc3C)CC2)C1 1857728096 NIZTWZXSWWQTFF-LJQANCHMSA-N 395.569 1.724 0 50 GDAA CC(=O)N1CCC(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)CC1 1857728348 XVTXMDYGDHVIMC-JQVVWYNYSA-N 397.475 1.546 0 50 GDAA CCC[C@H]1COC[C@H]2CN(c3cc(CC)nc(N4CCOCC4)n3)CCN12 1875249323 TUKACGFVVHCDOT-ZWKOTPCHSA-N 375.517 1.565 0 50 GDAA O=C(CNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)NCC(F)F 225470042 XAALTBXDPONZSS-UHFFFAOYSA-N 381.423 1.355 0 50 GDAA CC[C@H]1CN(C(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)C[C@@H]1N1CCOCC1 1875278417 YKHKGSKITONKKA-BBRMVZONSA-N 378.473 1.548 0 50 GDAA COCCn1nc2c(c1C(=O)N1CCN(CCO)C(C)(C)C1)C[C@H](C)O[C@@H]2C 1875315586 AFYBOQGYWFPZGI-LSDHHAIUSA-N 394.516 1.080 0 50 GDAA CC(C)(C)OC(=O)N1CCN(c2cc(NC(=O)N=c3cc[nH][nH]3)ncn2)CC1 1875340302 VHWWVZGOHFFDSZ-UHFFFAOYSA-N 388.432 1.323 0 50 GDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350566 RVOSBJMRTJECRH-NEPJUHHUSA-N 382.424 1.288 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 1875394778 WLQJOPVFYMJUHX-LSDHHAIUSA-N 383.562 1.354 0 50 GDAA Cn1nccc1[C@@H]1[C@@H](NC(=O)N2CC3CC2(C(F)F)C3)CC(=O)N1C1CC1 2325769921 QKOINZCYPYNSNQ-XWWOPZELSA-N 379.411 1.664 0 50 GDAA CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)CC[C@@H]1NC(=O)C12CCC(CC1)C2 2325793623 AXKUCRRWYUHJBP-BSJYVJPASA-N 375.513 1.979 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@@H](C(F)(F)F)O1 2325810058 AVXTVKCXRMDGAR-JSGCOSHPSA-N 398.341 1.573 0 50 GDAA O=C1CC[C@H](N2Cc3cc(NC(=O)OCC(F)(F)F)ccc3C2=O)C(=O)N1 2325903869 CTCCRFIUUMAKTO-NSHDSACASA-N 385.298 1.558 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCN4CCNC(=O)[C@@H]4C3)ncnc21 2356134313 IZDBQKAELGVDFZ-INIZCTEOSA-N 385.516 1.445 0 50 GDAA CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2[nH]1 2545741 AVUCJBDIBMEUTQ-UHFFFAOYSA-N 386.397 1.578 0 50 GDAA CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C(N)=O)c1C 2922569 GDEAVUWMZTUVRB-ZJUUUORDSA-N 380.422 1.938 0 50 GDAA NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 4783145 VIVIHIZDEICEBB-UHFFFAOYSA-N 388.898 1.650 0 50 GDAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 4986257 XBEVSOUXSWTCCG-UHFFFAOYSA-N 384.523 1.668 0 50 GDAA COc1ccc(CCNC(=O)CCCn2nc(C)n3ccnc3c2=O)cc1OC 6750515 FBUDXKVXEWVZAE-UHFFFAOYSA-N 399.451 1.356 0 50 GDAA Cc1nc([C@@H]2CCN(CC(=O)NCC(=O)N[C@H](C)c3ccc(F)cc3)C2)n[nH]1 412043215 PBIBBIKXDQCTHW-IUODEOHRSA-N 388.447 1.035 0 50 GDAA CNS(=O)(=O)NC1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 225534118 XFVFHYRGLYLHAC-UHFFFAOYSA-N 388.497 1.050 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCC(O)(CO)CC3)C2=O)cc1 67946908 LYMVGAAESDZOOH-QFIPXVFZSA-N 390.524 1.483 0 50 GDAA Nc1nc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cs1 67867431 GMWGHRUOCVWURN-KRWDZBQOSA-N 382.436 1.647 0 50 GDAA COc1cc(Cl)cc(CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1OC 65468268 AHKYUQNVHXQWRI-UHFFFAOYSA-N 379.848 1.345 0 50 GDAA COc1cc(CNCCOC(C)C)ccc1OC[C@@H](O)CN1CCOCC1 20201523 RQSGDEWJPRXOGP-SFHVURJKSA-N 382.501 1.282 0 50 GDAA C[C@H]1CN(c2ccc(NS(=O)(=O)c3cnc4n3CCC4)cn2)C[C@H](C)O1 330044086 AQPMQHDYWOWWDN-STQMWFEESA-N 377.470 1.639 0 50 GDAA Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCN(C)CC2)cc1C 20485836 UUFMHSNWUPAUOY-FQEVSTJZSA-N 395.507 1.742 0 50 GDAA C[C@]1(c2cccc(-c3noc([C@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)c2)NC(=O)NC1=O 351448367 UBRXNEQKLABUND-ICBBJDJVSA-N 393.403 1.162 0 50 GDAA CC1CCN(C[C@@H](C)NC(=O)c2nn(C)cc2I)CC1 2781217 ZCDHREKVABTTDN-LLVKDONJSA-N 390.269 1.875 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1csc(N)n1)CO2 71753962 AGBFDKLOBLPBRL-ZDUSSCGKSA-N 389.481 1.331 0 50 GDAA CCCN1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 77356629 YRUFWRMLDWQJHV-MOPGFXCFSA-N 389.521 1.820 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1Cc1ccc(F)cc1 71749559 BUWBFZQORFNUKW-KRWDZBQOSA-N 391.443 1.863 0 50 GDAA Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1F 241316839 LVHVZTBCQCSQID-SQWLQELKSA-N 383.445 1.480 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 72437518 UCRRJBLHDQCGCP-UHFFFAOYSA-N 387.509 1.896 0 50 GDAA CC(=O)c1cc(CN2CCOC[C@@H]2CC(=O)NCCc2ncnn2C)cs1 72478880 ZVTHQIAZRCLPMZ-HNNXBMFYSA-N 391.497 1.029 0 50 GDAA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCCN(C(=O)C2CC2)CC1 158413632 FVZDQYKRRKVNQC-HXUWFJFHSA-N 385.508 1.748 0 50 GDAA CN(C)[C@@H]1CCN(CCCN2CC3(CCN(C4CCOCC4)CC3)OC2=O)C1 72454595 OBHGDILKQAFTIL-LJQANCHMSA-N 394.560 1.478 0 50 GDAA COc1cccc(N2CCC[C@H](NC(=O)c3ccnc4c3ncn4C)C2=O)c1 376255800 QXKZGNJBOZPIAS-INIZCTEOSA-N 379.420 1.902 0 50 GDAA Cc1ccc(N2CCN(C(=O)[C@H](c3ccccc3)n3cnnn3)CC2=O)cc1 82136964 OINHJPOVRAHHLR-IBGZPJMESA-N 376.420 1.446 0 50 GDAA COc1cccc(-c2ncc(CNC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)s2)c1 221253648 CMQWQOLWEKMUEF-UHFFFAOYSA-N 386.433 1.363 0 50 GDAA O=C(c1cc(N2CCNC2=O)ccc1F)N1CCN(C[C@H]2CCOC2)CC1 178076405 HLGDZBZMRCCVSH-CQSZACIVSA-N 376.432 1.150 0 50 GDAA CN(CCOc1cccc(CNC(=O)[C@H]2CCC(=O)N2C)c1)C1CCOCC1 497097449 MLMWXXDHARFGGJ-LJQANCHMSA-N 389.496 1.413 0 50 GDAA Cc1nnc(CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 426471363 LSBHBCDHTQRFBN-UHFFFAOYSA-N 386.524 1.665 0 50 GDAA Cc1cc(=NC(=O)Cc2ccc3c(c2)OCC3)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159143 FDSSFLMKFHZUPJ-HNNXBMFYSA-N 375.450 1.089 0 50 GDAA CCOc1cccc(CN2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)O)C2)c1 96165792 QUOBXYLJDLIGHN-YJBOKZPZSA-N 382.482 1.253 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(Cc2nc(C)nn2C)CC3)cn1 92062127 GLSXEGDRQAZMJR-UHFFFAOYSA-N 383.500 1.627 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3nnc(C)o3)C2)cc1 95529662 AYDBKJMDKTVBHI-AWEZNQCLSA-N 380.470 1.577 0 50 GDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1Cc2cnn(CCO)c2C1 97637849 MZGCONGYCAAVQY-UHFFFAOYSA-N 383.452 1.968 0 50 GDAA O=C1CCCN1CCCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91973799 VMYYZHUUQMWMQR-FUHWJXTLSA-N 384.480 1.434 0 50 GDAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 91624626 XBIYEHCBUYDMSX-NRFANRHFSA-N 379.416 1.785 0 50 GDAA C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239433005 XBYDBYCAEPUJOU-HNWGTBJJSA-N 379.412 1.854 0 50 GDAA COc1cc2c(cc1CN1CCC3(CC1)NC(=O)C[C@@H]3C(=O)O)OCCCO2 95362679 TWCOIZQFPQEAJR-CQSZACIVSA-N 390.436 1.412 0 50 GDAA CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 95217803 BCJPGCMWBMOTGB-UHFFFAOYSA-N 377.441 1.992 0 50 GDAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1C 91536445 OPMHRYJJSATPPJ-RTBURBONSA-N 376.497 1.388 0 50 GDAA COC[C@H](NC(=O)Nc1cc(C(=O)NC2CC2)ccc1OC)c1ccnn1C 96139290 NLFMVCFRWZIWCI-HNNXBMFYSA-N 387.440 1.830 0 50 GDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc(N2CCOCC2)nc1 95361559 DBORHWAABGNHKX-UHFFFAOYSA-N 378.436 1.771 0 50 GDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 245296709 OVGMYDZPIPGWKX-OWSLCNJRSA-N 396.399 1.607 0 50 GDAA Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1Cc1ccccc1)c(=O)n2C 299623154 PFFISRGUEZWIFC-MRXNPFEDSA-N 395.463 1.058 0 50 GDAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 184135353 PLRTUGXSFJCBGB-GFCCVEGCSA-N 376.482 1.986 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1 1940195163 GYWQXTXZTNKMLD-MSOLQXFVSA-N 388.855 1.662 0 50 GDAA CN(CC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)Cc1ccncc1 823715192 VRISIXQAOUHCMI-FWYSVENZSA-N 381.484 1.364 0 50 GDAA Cc1cc2nc(O)[nH]c2c(NC(=O)CN2CCN(c3ncccn3)CC2)c1C 952990969 YSNXDOUVWMNQSB-UHFFFAOYSA-N 381.440 1.436 0 50 GDAA CNc1nc(CN2CCN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cs1 1565508916 RCIQHEXMWXTGJW-DLBZAZTESA-N 392.550 1.668 0 50 GDAA C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](Cc2ccccc2)C(=O)O)C1=O 268900741 DIMPXIUTJASRSH-GDBMZVCRSA-N 382.416 1.860 0 50 GDAA COc1cccc(OC)c1S(=O)(=O)N[C@@H](C(=O)O)c1c(C)nn(C)c1C 275066159 KMTRVBGLCYOQSR-CQSZACIVSA-N 383.426 1.158 0 50 GDAA COc1ccc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)cc1Cn1cncn1 1616075551 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Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14732536 HFUDVQXTHLCYMM-VDGAXYAQSA-N 397.450 1.640 0 50 GDAA COC(=O)C1CCN(C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)CC1 15079392 AVYDHIWCYPSTPB-FQEVSTJZSA-N 378.444 1.564 0 50 GDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 19867573 GNBMPQKNZKJCEV-UHFFFAOYSA-N 379.526 1.393 0 50 GDAA CCCc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3nnc(CC)s3)C2)n[nH]1 1857667710 JMXMPBWPIRHSLN-LLVKDONJSA-N 376.486 1.788 0 50 GDAA Cc1nn(C)c2c1[C@H](NS(=O)(=O)c1ccc3c(c1)oc(=O)n3C)CCC2 1857675157 MKOVOOSUOUERMY-GFCCVEGCSA-N 376.438 1.529 0 50 GDAA CS(=O)(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC3CCC3)cc12 1857692027 LHBUVIDGIMMGPY-UHFFFAOYSA-N 384.523 1.854 0 50 GDAA COc1ccc(CN2CC[C@@]3(C2)Cn2c(CCCO)nnc2CO3)c(F)c1 1857695175 XPRAEEQFNXALMG-LJQANCHMSA-N 376.432 1.526 0 50 GDAA COC(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857715844 KVINTCLUAVKHQL-OFQRWUPVSA-N 380.466 1.003 0 50 GDAA Cc1cnc2c(C(=O)N[C@@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)cnn2c1 1857721179 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CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1875329479 YMIIUJULLMWMTP-SCTDSRPQSA-N 399.491 1.405 0 50 GDAA O=C([C@@H]1C[C@H]2CCCCN2C1)N1CC([C@H](F)Cn2cc(-c3cncnc3)nn2)C1 1875358651 DDEHMXTUJKZJKO-ZTFGCOKTSA-N 399.474 1.406 0 50 GDAA COc1nc(N2CCN(C)CC2)ccc1NC(=O)NC[C@]1(C2CC2)CCNC1 1875392591 JPVJOVYEWRAUOS-FQEVSTJZSA-N 388.516 1.353 0 50 GDAA O=S(=O)(NC1CC1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[C@H]2Cc2ccccc2)C1 1875396298 BGATZJPSZJEPJE-JFIYKMOQSA-N 398.550 1.351 0 50 GDAA CC(C)(C)Cc1cn(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)nn1 1875324421 XRYHSVMLUHQIQB-MRXNPFEDSA-N 381.436 1.617 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)n[nH]1 1875349013 KFXAQBXHGAQSIA-LBPRGKRZSA-N 389.437 1.812 0 50 GDAA CC(C)[C@@H](C)NC(=O)CN1CCC2(CC1)Cn1nc(C(=O)N(C)C)cc1CO2 1775962091 RYSQYIMRSVEZHE-OAHLLOKOSA-N 391.516 1.110 0 50 GDAA CCCC[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CCCCC1 1775992253 QHQMABYYOSISRD-FUHWJXTLSA-N 395.544 1.853 0 50 GDAA Cc1ccc(-n2[nH]c(C(=O)N3CCN(Cc4nccn4C)[C@@H](C)C3)cc2=O)cc1 2325738789 VWUNBUUARMLLIH-INIZCTEOSA-N 394.479 1.554 0 50 GDAA O=C(C[C@H]1CCc2ccccc2N1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 2325850611 CPLXQRDACNKWRZ-HUUCEWRRSA-N 390.465 1.466 0 50 GDAA O=C(N[C@@H](CO)CC1OCCO1)c1cc(=O)c2cc(Br)ccc2[nH]1 1455331785 XPAQJUSRCHHOAT-SNVBAGLBSA-N 397.225 1.144 0 50 GDAA Cn1cc(CN2CC3(C[C@H](NC(=O)c4ccc(F)c(F)c4)c4nccn43)C2)cn1 2332237869 PDTRCIUXWOPNMQ-KRWDZBQOSA-N 398.417 1.981 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)n(C)c(=O)n3C)C(=O)CO2 10682190 SOHIBQMIDANFRP-UHFFFAOYSA-N 380.404 1.550 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCc3ccccc3C2)CN1CCCN1CCOCC1 20999604 NVPWHECXEFRFQJ-HXUWFJFHSA-N 385.508 1.532 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCO[C@H](c4cncn4C)C3)ccc2O1 328615978 BGIRHNDXSJYSBX-DFHBCGBQSA-N 377.466 1.942 0 50 GDAA O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccc(F)cc1F 72117228 IJSPGWLETVIOIT-UHFFFAOYSA-N 378.383 1.825 0 50 GDAA CC[C@@](C)(CO)NC(=O)C(=O)Nc1ccc2nccnc2c1Br 328596602 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396.447 1.845 0 50 GDAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C(C)(C)O)CC1=O 14535052 WMRUYTXKVLDBJD-INIZCTEOSA-N 380.460 1.809 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)C2=C(C)OCCO2)CC1 15075196 DDAFVCJWQKOCGE-SFHVURJKSA-N 393.528 1.884 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)CC1 2890093 GDBYCMNQXUISSU-MRXNPFEDSA-N 388.424 1.051 0 50 GDAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CCS(=O)(=O)CC1 264166924 JEEISOIXFYBBME-BZSNNMDCSA-N 390.505 1.717 0 50 GDAA O=C1CN(c2ccc(NC(=O)N[C@@H]3C[C@H](O)C34CCC4)cc2Cl)CCN1 820011306 NUYRHTLYKGDMKF-CABCVRRESA-N 378.860 1.701 0 50 GDAA CC(C)(C)OC(=O)N1CCC(c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)CC1 864096941 FQSAGDQTSOKHIM-ZDUSSCGKSA-N 379.461 1.572 0 50 GDAA CCOC(=O)[C@]1(C(=O)N[C@H]2CCCN(c3ccc(F)cc3)C2=O)CCCCO1 1875359528 HLGJMBXQSHZWPA-OXJNMPFZSA-N 392.427 1.940 0 50 GDAA CC(=O)NCC12CC(C(=O)NCCc3ccccc3F)(C1)C1(CCNCC1)O2 1875393416 NCBLXUMFFOKPIQ-UHFFFAOYSA-N 389.471 1.292 0 50 GDAA 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O=C(NCC(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1)c1ncccc1O 1469401783 PBXODOSZPHBDRB-KRWDZBQOSA-N 383.448 1.707 0 50 GDAA COCCN1CCN(C(=O)Nc2ccc(OCc3ccncc3)cc2)CC1=O 271130737 OEIUWEPEOGLMHP-UHFFFAOYSA-N 384.436 1.983 0 50 GDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 271218847 JNZSOIQKYABXGE-LBPRGKRZSA-N 387.461 1.652 0 50 GDAA COc1ccc2[nH]c([C@@H](C)NC(=O)c3ccnc4c(C(N)=O)cnn34)nc2c1 170600532 XIZIKPWYTRQZAG-SECBINFHSA-N 379.380 1.204 0 50 GDAA CCn1cnnc1[C@H]1CCCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 191979786 XCKIFDZVTAKEGV-SFHVURJKSA-N 391.541 1.939 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1 753704953 LKDDCKBJUNSOFL-IRXDYDNUSA-N 376.478 1.671 0 50 GDAA CN(CCc1ccccn1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529167988 UWJLTOXXBXLBET-UXHICEINSA-N 380.448 1.609 0 50 GDAA CCc1cc(N2CCN(Cc3ncccc3C)CC2)nc(N2CCOCC2)n1 1529142786 STJMZTSIHLEVDR-UHFFFAOYSA-N 382.512 1.901 0 50 GDAA OC[C@]12CN(Cc3ccc4c(c3)CCO4)C[C@H]1CN(c1noc(C3CC3)n1)C2 1772819686 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O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 783054637 BVMRMFFWAAWCQF-GHMZBOCLSA-N 378.903 1.283 0 50 GDAA CC(C)C[C@@H](NC(=O)c1cccc(-n2cncn2)n1)C(=O)Nc1nccs1 831580840 FMZNYVIVNPQUBR-CYBMUJFWSA-N 385.453 1.902 0 50 GDAA CN1CCN(C2CCN(S(=O)(=O)N3CCC4(CCCCC4)CC3)CC2)CC1 867817076 RWLYVVYNKLOXKY-UHFFFAOYSA-N 398.617 1.989 0 50 GDAA CO[C@@H]1CN(c2ccnc(NCc3nncn3-c3ccccc3)n2)C[C@@H]1N(C)C 1875398422 PNBVIHMNQQSFRE-DLBZAZTESA-N 394.483 1.435 0 50 GDAA CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccccn2)c1 1875389711 ZCGMTRKUTOJCTM-UHFFFAOYSA-N 376.438 1.737 0 50 GDAA CO[C@@H]1CN(c2ccnc(N3CCC(n4ccc(C)n4)CC3)n2)C[C@@H]1N(C)C 1875398331 LTIHMCGONVSANY-ZWKOTPCHSA-N 385.516 1.588 0 50 GDAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cn(Cc2cccnc2)nn1 1875400166 SKOVTIUBQBVRJE-ZTFGCOKTSA-N 387.875 1.501 0 50 GDAA CC(C)N1CC[C@@H](N2CCC(c3ncc(C(=O)N4CCOCC4)o3)CC2)C1=O 888103054 CMBLXDOQWFKZML-MRXNPFEDSA-N 390.484 1.336 0 50 GDAA COC(=O)CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 4491836 ANVIIGZHOIODPO-UHFFFAOYSA-N 390.461 1.788 0 50 GDAA O=C(CCC(F)(F)F)N[C@H]1CC[C@H](C(=O)NCCc2cn[nH]c2)C[C@@H]1O 2100545207 JRMBIEJKMSGQBF-AVGNSLFASA-N 376.379 1.057 0 50 GDAA Cc1ccc(NC(=O)C[C@@H]2Cc3c(n(C)c(=O)n(C)c3=O)NC2=O)cc1Cl 2325809629 QWUQDAPVOJCTDL-JTQLQIEISA-N 390.827 1.185 0 50 GDAA COc1ccc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)s1 2325895637 FVXYFUPIKHFLPT-CYBMUJFWSA-N 399.428 1.770 0 50 GDAA CN(Cc1c(Br)cnn1C)S(=O)(=O)c1cnn(C(F)F)c1 20614245 FITKSKPYGNKJOU-UHFFFAOYSA-N 384.206 1.595 0 50 GDAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)[C@H]1CCCO1 2440254 SQRTXCFGIDVKKP-CYBMUJFWSA-N 397.478 1.435 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1OC 4197291 KRHSFOBGHWEIRI-XLSPSMHOSA-N 378.421 1.861 0 50 GDAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 67604486 UAFQTYNLTITSOA-KRWDZBQOSA-N 386.496 1.875 0 50 GDAA COC(=O)c1cc2n(n1)CCN(C(=O)C(C)(C)NC(=O)c1cccs1)C2 65380569 BOTDQUQPSNSKBV-UHFFFAOYSA-N 376.438 1.282 0 50 GDAA Cn1nc(C2CCN(c3cc(C(N)=O)ccn3)CC2)n(Cc2ccccc2)c1=O 67821253 QQWYQNGRIBWVQY-UHFFFAOYSA-N 392.463 1.508 0 50 GDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1 12297252 NZMQKORMDSUKEN-QFIPXVFZSA-N 396.491 1.917 0 50 GDAA CNc1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc(N)n1 71419354 BIFVAWHBXUHWSV-OAHLLOKOSA-N 387.532 1.404 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCO[C@H](c4cncn4C)C3)ccc2O1 328615980 BGIRHNDXSJYSBX-IAISJRAMSA-N 377.466 1.942 0 50 GDAA O=C(c1cn(CCN2CCCCC2)nn1)N(Cc1ccccn1)C[C@H]1CCCO1 12449180 FOFJYKNSONNJPF-LJQANCHMSA-N 398.511 1.980 0 50 GDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71385283 LKJKVBRKEPZVNM-GOSISDBHSA-N 377.400 1.722 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)CCO)C2 77288110 YTCHSQBBYKUKOR-UHFFFAOYSA-N 388.489 1.774 0 50 GDAA CCOC(=O)c1cn(C)nc1NC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 364916371 JQKJIONOBUYEBW-CYBMUJFWSA-N 391.428 2.025 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 238094011 ZGPTZHPDDWCQNY-WDEREUQCSA-N 381.226 1.735 0 50 GDAA Cc1[nH]c2c(c1C(=O)N1CCOC[C@@](O)(CN3CCCC3)C1)C(=O)CCC2 77469869 QKISLHAGOUVVCZ-HXUWFJFHSA-N 375.469 1.141 0 50 GDAA COc1cc(Cl)c(NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)cc1C 367973417 KRMGROZHOVLGFQ-GXFFZTMASA-N 376.862 1.644 0 50 GDAA CN(Cc1cc2n(n1)CCN(c1ncnc3[nH]cnc13)C2)Cc1nccs1 72463326 ORVUVNPTYTYJGZ-UHFFFAOYSA-N 381.469 1.658 0 50 GDAA O=C(Cc1cncnc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 368236385 OZNFPRPHSSRDGH-QGZVFWFLSA-N 386.477 1.403 0 50 GDAA O=C(NCC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccccc1C(F)(F)F 158612563 YFMUVMYAIWMBEK-UHFFFAOYSA-N 397.397 1.906 0 50 GDAA Cc1nnc(SCCCNC(=O)c2cn(C[C@@H]3CCCNC3)nn2)s1 216535980 YXKBNIGKMAKVQS-GFCCVEGCSA-N 381.531 1.350 0 50 GDAA Cc1cc(=NC(=O)CCc2ccc3c(c2)CCO3)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159222 MGJGBPFGWCVCNR-MRXNPFEDSA-N 389.477 1.479 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3nc[nH]c3c2)o1 426689311 SQLPWUVPQAIZOY-GOSISDBHSA-N 381.436 1.471 0 50 GDAA CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)on1 91586911 QRUVMUUBMQDQGF-UHFFFAOYSA-N 381.458 1.090 0 50 GDAA Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 91997472 WQZCSVSJZJSTHM-GOSISDBHSA-N 386.496 1.456 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2C1 95388974 LBTHZSRKBITBCP-JFZXIXNHSA-N 397.516 1.404 0 50 GDAA CNC(=O)CC1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 179693205 TUMVXVVMJHSPEN-UHFFFAOYSA-N 380.246 1.480 0 50 GDAA C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Br)c2c(c1)OCCO2 179770514 YJDNJARDTPRADI-SNVBAGLBSA-N 376.272 1.839 0 50 GDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1 181469800 UUSKJCNDPOBGPF-ZDUSSCGKSA-N 391.497 1.308 0 50 GDAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(N)nc2-c2ccccc2)C1 252527466 CPUJBNFUCLWAEQ-JOCQHMNTSA-N 379.424 1.023 0 50 GDAA COc1ccnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299793970 ITAVBPGCSPMAAI-QGZVFWFLSA-N 389.500 1.247 0 50 GDAA CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 67872164 BTUCLRDLUQJQQT-MRXNPFEDSA-N 391.422 1.188 0 50 GDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 726772361 MTPFGWKIDMUDGW-HNNXBMFYSA-N 376.420 1.532 0 50 GDAA CC1=NO[C@@](C)(C(=O)N2CCC(CNC(=O)c3cnn4cc(C)cnc34)CC2)C1 825249278 RPMNZWKPLDUHRS-HXUWFJFHSA-N 398.467 1.561 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(N3CCSCC3)CC2)CN1Cc1ccccn1 827696777 XHLJJMYHWHSSDJ-MRXNPFEDSA-N 388.537 1.470 0 50 GDAA COc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3ccccc3)[C@H]2O)cc1 44075564 CZPFTCBIXZWFIZ-UJMXGEILSA-N 376.405 1.098 0 50 GDAA in-vitro Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNC(=O)c3cscn3)C2)c(O)n1 952979440 MYQVZPLPSOOHPQ-ZDUSSCGKSA-N 389.481 1.467 0 50 GDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cc(C(N)=O)cs1 952972468 USZAFFGDONKVMG-NSHDSACASA-N 385.511 1.259 0 50 GDAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 268934734 MNARSVXSEZENAQ-SJLPKXTDSA-N 384.436 1.686 0 50 GDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 275271984 JFLIQFMENDUINR-JKSUJKDBSA-N 390.469 1.302 0 50 GDAA CN1CCC(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)(c2ccccc2)CC1 1615734332 DFOFZXXPJYYXMM-PXNSSMCTSA-N 380.492 1.502 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C1 1506419605 TUENTWFIMWNOSV-SFHVURJKSA-N 381.542 1.844 0 50 GDAA O=C(CN1CCC[C@H]1c1nc(-c2ccncc2)no1)NCc1ccc(C(=O)O)o1 1529120102 TXUPBSZCUCDGAE-AWEZNQCLSA-N 397.391 1.876 0 50 GDAA O=C(c1ccc2c(c1)CCCO2)N1C[C@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772809194 OTMHRLPOUMJTPN-DENIHFKCSA-N 394.475 1.368 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(N(C)C)cc2)CC1 11937460 QYTHLKUACKPIJV-UHFFFAOYSA-N 381.480 1.746 0 50 GDAA COCCN1C[C@@H](C(=O)NC(C)(C)c2ccc(OC)c(OC)c2)CCC1=O 12093477 GSWIGVABRJXWDK-AWEZNQCLSA-N 378.469 1.940 0 50 GDAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1C 14536463 LNRIBLMDYVAJRO-UHFFFAOYSA-N 387.440 1.741 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@H]12 14745054 ZGZWAMQQCDAWJH-QZTJIDSGSA-N 397.862 1.734 0 50 GDAA O=C(c1n[nH]c2c1CCCC2)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169779843 CPGKXJSNSLGVHV-UHFFFAOYSA-N 380.452 1.955 0 50 GDAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CCC2 1857674764 XIFSJVYRVUDRFI-HNNXBMFYSA-N 376.482 1.932 0 50 GDAA Cc1cccc(CN2CCO[C@@]3(CCN(CCCS(=O)(=O)N(C)C)C3)C2)c1 1857692219 URTOJSGTFZZLFN-HXUWFJFHSA-N 395.569 1.553 0 50 GDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857718535 JIKQDDFOQNJXJU-WFXMFSGNSA-N 394.493 1.423 0 50 GDAA Cc1cc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)nc(N2CCOCC2)n1 1857740480 PFWZBPBBYJGRIU-WOJBJXKFSA-N 395.507 1.884 0 50 GDAA CCC(=O)N1CCC[C@]2(CCc3c(N4CC(O)C4)nc(-c4cccnc4)nc32)C1 1875241562 BOENMDBMCQHMHO-QFIPXVFZSA-N 393.491 1.936 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@@H](O)COC2CCOCC2)n1C 328624186 CFZQHDJPZWKQFK-QAPCUYQASA-N 379.501 1.468 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OCC)c2)NC(=O)N[C@]1(O)C(F)(F)F 238923865 PRRWIQXFVIMSAV-YWPYICTPSA-N 392.330 1.575 0 50 GDAA COc1ccc(-n2ccnc2CN2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cc1 1704312605 VTFGWGZGIBIHBG-ICSRJNTNSA-N 387.480 1.748 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC[C@H](N4CCCS4(=O)=O)CC3)cnc12 1875274628 OUHNQWGYXPSFRL-INIZCTEOSA-N 390.509 1.602 0 50 GDAA Cc1nccn1CC(=O)N1CC2(CN(C)C[C@@H]2c2ccnc(N3CCCC3)n2)C1 1875396151 XFJMVRBQWSFHEI-QGZVFWFLSA-N 395.511 1.140 0 50 GDAA COc1cccnc1C(=O)N1Cc2ccc(CNC(=O)c3cnc[nH]3)cc2C1 1875360026 WSHUNIGGJCJUQN-UHFFFAOYSA-N 377.404 1.899 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)C)C1 1875370963 JWWWVDUNBGGQCG-ZBFHGGJFSA-N 387.484 1.590 0 50 GDAA COc1ccc2nnc(CNC(=O)N3[C@H]4CC[C@H]3CC3(C4)CC3(F)F)n2n1 888100019 VYCREYZTTCHZRQ-QWRGUYRKSA-N 378.383 1.995 0 50 GDAA COc1ccc(NC(=O)COc2nsnc2N2CCOCC2)c(OC)c1 1078278 JSAQGPDTMINCIK-UHFFFAOYSA-N 380.426 1.409 0 50 GDAA O=C(NCc1cccc(-c2nc[nH]n2)c1)NCc1n[nH]cc1Br 2325734700 HOQVWFONOYWGQI-UHFFFAOYSA-N 376.218 1.957 0 50 GDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 798639 RFBBOBSBWFQMJH-UHFFFAOYSA-N 378.406 1.683 0 50 GDAA CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 1129990 JVEUTRQQZQALLY-UHFFFAOYSA-N 375.450 1.859 0 50 GDAA CN(C)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1393940 RRHUDFOAHDZFEF-UHFFFAOYSA-N 384.479 1.980 0 50 GDAA NS(=O)(=O)c1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1 2858139 XIFZHINRTQLPPP-UHFFFAOYSA-N 387.556 1.332 0 50 GDAA COc1ccc(CNC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1 6798582 VPMBNSABQPZAEJ-UHFFFAOYSA-N 395.444 1.945 0 50 GDAA CCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O 9741499 AMTMWHITCHAVLJ-SFHVURJKSA-N 393.509 1.665 0 50 GDAA Cc1ccccc1N1CCN(C(=O)Cn2nnnc2CN2CCCC2)[C@H](C)C1 23310391 JYLZDOFROAHPBL-QGZVFWFLSA-N 383.500 1.315 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)N1CCCC1 20653892 GXLMCWIKRNVMIM-UHFFFAOYSA-N 396.513 1.315 0 50 GDAA CCN(CC)CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67458646 HRSWOWLYLAIDNH-UHFFFAOYSA-N 389.543 1.444 0 50 GDAA CCN(CCCN1CCCC1)C(=O)NCc1cccnc1N1CCOCC1 252505098 VOIPMQMGKNHOTM-UHFFFAOYSA-N 375.517 1.936 0 50 GDAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 217727437 MNTABRSHWCGFLZ-ZDUSSCGKSA-N 389.360 1.340 0 50 GDAA biogenic Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)N=C(O)CO3)cn1 328629791 PEIBEVYVWUWUCH-SUMWQHHRSA-N 392.437 1.599 0 50 GDAA COC(=O)c1cc(OC)cc(C(=O)N2CCC(N3CCC(O)CC3)CC2)c1 72164272 VMJUHGBZYYDVSJ-UHFFFAOYSA-N 376.453 1.543 0 50 GDAA Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccccc3F)ncn2)c1C 72437320 XCWLEBADANYCRH-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA CCCCOC(=O)c1ccc(NC(=O)NCCNS(=O)(=O)N(C)C)cc1 253424414 FTUWPIGSEQVORQ-UHFFFAOYSA-N 386.474 1.161 0 50 GDAA COc1ccc(S(=O)(=O)N2CC(=O)Nc3c(F)cccc32)cc1C(N)=O 479141113 FUGBMMJUGYIRPL-UHFFFAOYSA-N 379.369 1.081 0 50 GDAA COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)cn1 363746193 FSOSGRKODYVXNL-KRWDZBQOSA-N 385.468 1.976 0 50 GDAA CC(C)C[C@H](C(=O)NC1CCC2(CC1)NC(=O)NC2=O)N1CCCCC1=O 376198117 NEEHYKUMTBLQEI-SHYRYGCCSA-N 378.473 1.051 0 50 GDAA Cc1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)cn1C 283030542 FXIRKBZGWZYQJN-AWEZNQCLSA-N 395.554 1.860 0 50 GDAA Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)cc1Br 159164996 XFPHSOFIXQKBPK-LLVKDONJSA-N 396.328 1.874 0 50 GDAA Cc1cc(=O)n(CC(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)nc1C 82097735 KYYVWAWMYSEBME-UHFFFAOYSA-N 398.511 1.521 0 50 GDAA CC(=O)N1CC2(CCN(Cc3ccccc3OCCO)CC2)C[C@@H]1C(=O)O 82109415 VDIOHUYZWUYIOK-QGZVFWFLSA-N 376.453 1.345 0 50 GDAA O=C(CC[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1)N1CCOCC1 95510989 FYVQCDBARXONIJ-KRWDZBQOSA-N 384.480 1.914 0 50 GDAA CNC(=O)c1n[nH]c2c1CN(C(=O)N[C@H](c1cccnc1)C(F)(F)F)CC2 426487519 RQJUZLGPNAXYSA-CYBMUJFWSA-N 382.346 1.536 0 50 GDAA O=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1C[C@@H]1CCCO1 91519035 AOZMNPPKPIULPQ-INIZCTEOSA-N 384.484 1.508 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NC[C@@H](O)c3ccccc3)ccc21 95371541 DCCBZSWXSCWTHD-QFBILLFUSA-N 380.448 1.608 0 50 GDAA Cc1n[nH]c(SCC(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)n1 95527530 IIVVLKAYDSWQEF-AWEZNQCLSA-N 381.502 1.083 0 50 GDAA Cn1cc(C(=O)N2CCC3(CCN(C4CCOCC4)CC3)[C@@H](CO)C2)cn1 97574883 LZFGJUXKZLVVTK-QGZVFWFLSA-N 376.501 1.136 0 50 GDAA Cc1ccc(OCCN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 95521309 SVISKILEZYTWSZ-DLBZAZTESA-N 395.525 1.147 0 50 GDAA C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 245326411 JVUYADAQSHTWNO-QKAWTBSISA-N 391.855 1.240 0 50 GDAA C[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 252498280 QXGXGFBWKQVQMH-RISCZKNCSA-N 397.884 1.674 0 50 GDAA COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCCCn4nnnc43)cn2)c1 299758791 PLOSJRPTSSYRFD-QGZVFWFLSA-N 381.440 1.794 0 50 GDAA Cn1c(CNc2ccc(C(=O)NCCS(C)(=O)=O)cc2)nc2ccccc21 828158260 CVIXEAIKKBZUAZ-UHFFFAOYSA-N 386.477 1.960 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2 1565509989 JYIKZKPUMXNHQZ-SJORKVTESA-N 385.464 1.163 0 50 GDAA O=C(NCC1CC1)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 170607568 PWKLIPVBWHDBQT-UHFFFAOYSA-N 383.370 1.516 0 50 GDAA CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[C@@H](O)C3)c2)n1 408521013 FNUJJDYWTZKICM-OAHLLOKOSA-N 392.481 1.862 0 50 GDAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@H](CO)[C@H](c2ccsc2)C1 188875865 TYAHHBICUQCPTQ-PBHICJAKSA-N 397.522 1.693 0 50 GDAA O=C(CNC(=O)c1ccc(F)c(F)c1)NC1CCN(Cc2ccncc2)CC1 194205245 QJNWVUCEHDUMLC-UHFFFAOYSA-N 388.418 1.870 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H](N2CCOCC2)[C@@H](O)C1 1615634006 ANBWWCRLMHEORC-SFTDATJTSA-N 388.487 1.896 0 50 GDAA CC(C)CN1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C[C@@H]1CCO 1506400701 BWDXOIAAECHOIJ-AWEZNQCLSA-N 388.461 1.237 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4cccnc4)no3)C[C@H]2O)n[nH]1 1704280509 LXMTTWHZYTYFQY-NVXWUHKLSA-N 396.451 1.548 0 50 GDAA Cn1cncc1CN(CCO)C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 1704311474 LDSMQRUSCDSVSA-UHFFFAOYSA-N 380.448 1.989 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3c[nH]c4ccc(F)cc4c3=O)C[C@@H]12 1704342037 CQRNLDQIVHYWRN-UZLBHIALSA-N 387.411 1.678 0 50 GDAA Cn1c(=O)c(C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)cc2ccccc21 1772712226 PRAUYKCXZHEJIN-KRWDZBQOSA-N 375.428 1.722 0 50 GDAA CCN1C[C@@H](CN(C)Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1=O 11661907 JLCAKBKUKYXWPP-CQSZACIVSA-N 389.525 1.932 0 50 GDAA O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1nccs1)CC2 14749689 ZPZJSGPYELDZHI-UHFFFAOYSA-N 397.504 1.820 0 50 GDAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 19757286 YSKBXUBXPCPNAI-GOSISDBHSA-N 397.406 1.978 0 50 GDAA CCn1c(=O)[nH]c2cc(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)ccc2c1=O 151347018 DIOJYZNAMAHDRD-INIZCTEOSA-N 398.463 1.373 0 50 GDAA Nc1ncccc1CN1CC[C@@]2(C1)CN(c1nnnn1-c1ccccc1)CCO2 1857694104 APPBIIQBBOVECH-HXUWFJFHSA-N 392.467 1.121 0 50 GDAA COc1ccc(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1Cn1cncn1 1857706252 MEBCPCUIEQKYKJ-QUCCMNQESA-N 383.452 1.258 0 50 GDAA CC[C@@]1(C(=O)N2CC3(CNC(=O)N3)C2)C[C@@H]2CC[C@H]1N2Cc1cccc(O)c1 1857708918 UCSKJHBSSDJWGP-LUQKVYGDSA-N 384.480 1.419 0 50 GDAA Cc1ncn(C)c1-c1nc([C@H]2CCCN(C)C2)nn1-c1ccc2nncn2n1 1857710818 RFKUFPFKTFMLTQ-ZDUSSCGKSA-N 378.444 1.223 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)nn1C 1857723842 YYXXZWTUMWTZIR-OALUTQOASA-N 385.468 1.038 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)N3CCOc4ccc(CO)cc4C3)CC2=O)s1 1857738327 CCECALVPVYFAOU-CQSZACIVSA-N 388.449 1.113 0 50 GDAA COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 225439756 JTNISJDFNVQCTL-CVEARBPZSA-N 378.469 1.696 0 50 GDAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@](O)(C(=N)O)C3)cs2)c1C 329010940 DMDZPJGOGGDIAF-QGZVFWFLSA-N 377.470 1.383 0 50 GDAA NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3cccc(Cl)c3)C2)C1 1875267862 IPTTURWZEIQNCM-DOMZBBRYSA-N 386.905 1.268 0 50 GDAA CS[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1 1875302199 DFDCVTCWXVPGIR-JHJVBQTASA-N 376.544 1.249 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ncnn3C(C)C)C2)c1C 1875397324 VYWXMEGXHUHZCL-OAHLLOKOSA-N 386.504 1.336 0 50 GDAA CCN1CCO[C@@H](CNC(=O)C2CCC(C(=O)O)CC2)[C@@H]1c1cnn(C)c1 888095973 MICZFTVZCDGOAR-LCSXWQTCSA-N 378.473 1.189 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NC3CCN(c4cnccn4)CC3)cn12 2100543331 PTBFXLJGQZPOHU-GOSISDBHSA-N 395.467 1.608 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@H]1NC(=O)Cc1cc[nH]n1 2100555569 XLLOKRNTLSFMGS-BMGDILEWSA-N 392.500 1.328 0 50 GDAA CN(CCN(C)c1ccccc1)C(=O)Cn1cc(-c2ccc(C(=O)O)nc2)nn1 2325786908 YKAAIMHVENPGPH-UHFFFAOYSA-N 394.435 1.633 0 50 GDAA CS(=O)(=O)C1CC(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 2325803903 IXIGKROCJVTBTN-UHFFFAOYSA-N 382.917 1.681 0 50 GDAA CC1CC(COC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325886863 MAETYBTZZNTLMH-MKTAYPAQSA-N 399.447 1.720 0 50 GDAA CCCNC(=O)Cc1csc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n1 1471324095 JUYACCVZPUJZDE-NXEZZACHSA-N 392.403 1.607 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccco1)C2 20821461 WPFKSWCPOQRADC-INIZCTEOSA-N 385.512 1.921 0 50 GDAA Cc1ccc(N2CCCN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 247532186 CDAQVOKVAZUMKV-GOSISDBHSA-N 390.509 1.434 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCc3cc(C)on3)C2=O)c1 67885087 NNHQCAAYARRILR-LJQANCHMSA-N 377.416 1.774 0 50 GDAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCN(C)C(=O)C3)nc2)C1 67758237 VWWYJWJALVLEPY-QGZVFWFLSA-N 386.496 1.827 0 50 GDAA O=c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)n[nH]1 1406769 HAHUQOWTCCTZQE-UHFFFAOYSA-N 396.472 1.948 0 50 GDAA Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@@H](c3n[nH]cc3CN3CCCC3)C1)CC2 329728760 PBIWQGZYJWSMDV-JKSUJKDBSA-N 397.527 1.645 0 50 GDAA COc1ccccc1CNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72433531 CITPUIHYCSPJIP-CQSZACIVSA-N 376.482 1.968 0 50 GDAA CC(C)=CCN1CCN(C(=O)Cc2ccccc2O)[C@H]2CS(=O)(=O)C[C@H]21 72425602 IMUYLFYKXCDKTF-SJORKVTESA-N 378.494 1.211 0 50 GDAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)c1=O 71764643 QZVSVYYVFYZYRP-LBPRGKRZSA-N 376.331 1.619 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cnoc3C)CC2)C1 71745366 JETONRFOHIUQIP-OAHLLOKOSA-N 378.473 1.062 0 50 GDAA Cc1ncc(S(=O)(=O)N2CCn3c(Cc4ccccc4)nnc3C2)s1 378283396 MMVUMXZWMZBUBJ-UHFFFAOYSA-N 375.479 1.838 0 50 GDAA CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 285224160 ARCDCZJIVHLXEB-KRWDZBQOSA-N 399.532 1.778 0 50 GDAA CCN1CCN([C@H]2CCN(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)C2)CC1 175862428 SVZLSKPXYWLVJQ-QAPCUYQASA-N 376.549 1.389 0 50 GDAA Cc1ccc(N(CC(=O)N2CCC(n3cnnc3)CC2)S(C)(=O)=O)cc1 221412781 QHUGNIMWDZWRPD-UHFFFAOYSA-N 377.470 1.216 0 50 GDAA CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426739148 YZWORLSPTZKEQU-GOSISDBHSA-N 390.443 1.927 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccc(Cn3cccn3)o1)CCN2C 95521530 IKMVHORGMJNQBJ-FQEVSTJZSA-N 385.468 1.293 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C(C)C)no2)CN1C1CCOCC1 97447099 LPAYDRDJBUDQTF-BBRMVZONSA-N 378.473 1.286 0 50 GDAA O=C(O)[C@@]12Cc3ccccc3OC[C@@H]1CN(S(=O)(=O)N1CCCCC1)C2 95375072 DEVNZBVXPQIANF-MAUKXSAKSA-N 380.466 1.355 0 50 GDAA COc1cc(F)c(C(=O)N2CCC(c3nccn3CC(N)=O)CC2)c(F)c1 95530644 XVCRDDIVSDQXCO-UHFFFAOYSA-N 378.379 1.675 0 50 GDAA CSc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)cn1 91635771 AKHNDUQHGTUTLI-IBGZPJMESA-N 391.541 1.605 0 50 GDAA Cc1ccc(C)c(-n2nc([C@H]3CCOC3)nc2Cn2cc(C)c(=O)[nH]c2=O)c1 96133502 SJSYGSPWOAPJGT-HNNXBMFYSA-N 381.436 1.595 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)NCc1ccc2sccc2c1 95511228 ZQVJCMXPBOPGJL-UHFFFAOYSA-N 386.481 1.427 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2 95367120 FPCDJQAUKBUYSW-LBPRGKRZSA-N 377.420 1.118 0 50 GDAA CN1CCN(C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)CC1 91769349 DBMJMDSTVBUXHM-UHFFFAOYSA-N 399.539 1.696 0 50 GDAA O=C(Cn1cccnc1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95521972 UVQVSKBXUVPROZ-DFQSSKMNSA-N 382.439 1.471 0 50 GDAA COC(=O)c1cn(-c2cccc(C(=O)NC3=NCCS3)c2)cc2c(=O)[nH]nc1-2 253414307 XAUVECKTUHSMQH-UHFFFAOYSA-N 397.416 1.285 0 50 GDAA COc1ccc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)nn1 299757298 KRIFUMDNAVSKPF-UHFFFAOYSA-N 376.420 1.905 0 50 GDAA Cn1c(C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc(=O)n(C)c1=O 828407466 USNLLKZLLHVTGG-JOCHJYFZSA-N 399.491 1.731 0 50 GDAA Cn1ccnc1CN(CCO)C(=O)NC1CCN(C(=O)C2CCCC2)CC1 584902367 MIJUDKCHJMEVGX-UHFFFAOYSA-N 377.489 1.105 0 50 GDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccn(C(F)F)n1 670435746 BYNRPUUMKWQEDG-WSGJVKOYSA-N 387.434 1.576 0 50 GDAA CCn1c(C)cc2cc(NC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CCN)C(=O)[C@@H]35)O4)ccc21 952965427 DKGAOKADEIOONT-VWNVYAMZSA-N 396.491 1.873 0 50 GDAA Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1C(N)=O 1443622786 YDVOLQUBYBFWCB-QAPCUYQASA-N 399.422 1.376 0 50 GDAA CC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 276279359 RKOXIMFIGJMNHZ-HNNXBMFYSA-N 375.468 1.416 0 50 GDAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NOCc1ccc(F)cc1 186445804 FKCHENXKQOVHEC-UHFFFAOYSA-N 391.424 1.968 0 50 GDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 187378453 KRSDBLQUUNYVCI-INIZCTEOSA-N 376.482 1.221 0 50 GDAA CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 765863090 ZHWMUXHBDGXPKC-FGBSKUFISA-N 383.489 1.609 0 50 GDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CCN12 1529154327 KPINSSDGJOFKBI-QWHCGFSZSA-N 376.482 1.618 0 50 GDAA CCCc1nc(C)cc(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@]3(CO)C2)n1 1772810512 KQBKPPUFFDYFPI-KKSFZXQISA-N 398.511 1.350 0 50 GDAA O=C(NCc1nc(C2CC2)no1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772816438 QLXAFEOFUQAZRT-LBPRGKRZSA-N 389.481 1.661 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)c1 1772711104 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CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c2ccccc2n1 2100540795 PUVDOYQGIPXXJC-AUUYWEPGSA-N 377.448 1.766 0 50 GDAA Cc1cc(C)c2cccnc2c1S(=O)(=O)N1CC(=O)N2CCOC[C@H]2C1 2325783777 AEXBJULZBHHMJF-CQSZACIVSA-N 375.450 1.083 0 50 GDAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N3Cc4nccn4C[C@@H](CO)C3)n2)c1 2325803468 IOFUGRARVHBHBO-CYBMUJFWSA-N 385.399 1.486 0 50 GDAA CCc1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)n[nH]1 2325807907 FYTARSXUOYGHEC-LSDHHAIUSA-N 379.461 1.502 0 50 GDAA Cc1cccc(C)c1-n1nnnc1CNC(=O)CCCCCc1nc(=O)o[nH]1 2325850257 RLOKRCQCLXTFEV-UHFFFAOYSA-N 385.428 1.375 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 891819071 ZZUAFHUEFGNRDD-KRWDZBQOSA-N 376.478 1.528 0 50 GDAA CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(Br)cc1 1163171 LCCJUVWXLODKRS-UHFFFAOYSA-N 398.282 1.781 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)cc1 2356142776 HJXBUWCIRJWSAN-IBGZPJMESA-N 385.468 1.436 0 50 GDAA O=C(NCc1noc(C2CC2)n1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356161919 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O=C(O)c1cc(-n2ncc3cccnc32)cc(S(=O)(=O)N2CCOCC2)c1 71753659 YROIQGNWUGYSSC-UHFFFAOYSA-N 388.405 1.140 0 50 GDAA COc1cc(C)ccc1C(=O)N1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72409466 ACCINSSQTQKXJA-CVEARBPZSA-N 394.493 1.110 0 50 GDAA C[C@H](C1CCN(C(=O)NCc2cnc3ccccn23)CC1)N1CCN(C)CC1 426739115 VUAIFEQFWALEDN-QGZVFWFLSA-N 384.528 1.892 0 50 GDAA Cn1c(CO)nnc1C1CCN(C(=O)c2ccc(-c3cnccn3)cc2)CC1 426442472 BYZHSACZOVFDQZ-UHFFFAOYSA-N 378.436 1.784 0 50 GDAA C[C@@H]1[C@@H](NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCC[C@H]1C 239415363 UFUSSDMRTRUELO-JKJDWNRSSA-N 378.469 1.646 0 50 GDAA COc1cc2c(cc1C(=O)N1C[C@H]3CC[C@@H]1CN(CC(=O)N(C)C)C3)CCC2 95370662 CJSKHLBEOMBAHC-MAUKXSAKSA-N 385.508 1.809 0 50 GDAA Cc1c(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)sc2ncn(C)c(=O)c12 299752467 UFIMPEIFPXLXHI-LLVKDONJSA-N 379.438 1.399 0 50 GDAA Cc1ccccc1[C@@H](CNC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)N(C)C 584884543 TXVDULNMQJQXIS-QGZVFWFLSA-N 386.496 1.826 0 50 GDAA COCC(=O)Nc1cc(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)ccc1OC 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GDAA Cc1ccccc1C(=O)NC1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 298983365 JUMBPLNUUIEXKE-UHFFFAOYSA-N 398.463 1.808 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 252536015 HLLBAGFVCMCZNN-PHIMTYICSA-N 375.454 1.636 0 50 GDAA O=C(NCc1noc(C2CC2)n1)c1ccc(OCC(=O)N2CCOCC2)cc1 827968233 DEHMVDVZCLRYPD-UHFFFAOYSA-N 386.408 1.115 0 50 GDAA CN(Cc1nc(O)c2sccc2n1)C(=O)CCC(=O)Nc1nncs1 952975314 TUWFCUOPVUDCCC-UHFFFAOYSA-N 378.439 1.626 0 50 GDAA COCCN(CCOc1ccccc1F)C(=O)c1cnc2nc(C)[nH]n2c1=O 1506405776 NVEJRSDEYDANGJ-UHFFFAOYSA-N 389.387 1.033 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCC(CNC(=O)[C@@H]3CCC(=O)N3)CC2)c1 1506421312 FGSHYFOMCOOVOK-INIZCTEOSA-N 393.509 1.099 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1ncnc3cc[nH]c13)CC2 1772816411 LTGHMPNIMWHEGH-UHFFFAOYSA-N 378.440 1.588 0 50 GDAA COc1cc(C)c(CN2CCCN(C(=O)CN3CCOC3=O)CC2)cc1C 1775977655 LDOKBQGWUUNOHZ-UHFFFAOYSA-N 375.469 1.799 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(F)(F)F)c1OC 11772432 RWVOZZCEFOKLLT-LBPRGKRZSA-N 389.374 1.073 0 50 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CNC(=O)CN(Cc1ccccc1)C(=O)CNC(=O)c1cccc2[nH]ccc12 1875325211 UDBVDNBXIOAVDK-UHFFFAOYSA-N 378.432 1.673 0 50 GDAA O=C(NC[C@]12COCCN1C(=O)OC2)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 1875301755 SMXGPFSQMQDUEV-BFUOFWGJSA-N 393.415 1.642 0 50 GDAA CCc1nc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)Cc3c[nH]nc32)n[nH]1 1875392946 AOOMBJIRLYETSC-CYBMUJFWSA-N 380.408 1.649 0 50 GDAA O=C([C@@H]1C[C@@H]2CCCCN2C1)N1CC([C@H](F)Cn2cc(-c3cncnc3)nn2)C1 1875358648 DDEHMXTUJKZJKO-FHLIZLRMSA-N 399.474 1.406 0 50 GDAA CCn1nnc(C)c1CNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875315735 FZSURYQFMBJFRS-YPMHNXCESA-N 376.461 1.402 0 50 GDAA COC(=O)c1cscc1C(=O)COC(=O)c1cccnc1-c1nncn1C 1875344488 FPJVQXFFWLSMJR-UHFFFAOYSA-N 386.389 1.765 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)c1cccnc1O)C2 1875395948 QSKAKCUOSQDQJV-INIZCTEOSA-N 394.479 1.349 0 50 GDAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)N1CCc2cc(F)ccc2C1 1875393138 HIQNQHQXDSSACX-KRWDZBQOSA-N 392.456 1.003 0 50 GDAA COCC(=O)N1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)CC1 878270316 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O=C(NC[C@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)N2CCCC2)CC1 262523850 NAAVHRWTZIKRSZ-SFHVURJKSA-N 387.480 1.974 0 50 GDAA COCCCN1C[C@]2(CCCN(C(=O)c3ccc4nnnn4c3)C2)CCC1=O 77459607 GFBGYJDTDAFRPI-IBGZPJMESA-N 386.456 1.006 0 50 GDAA COC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3ccncc3)CC2)cc1 77319123 IQRRRTSUMZKOGN-UHFFFAOYSA-N 382.464 1.649 0 50 GDAA CCN(Cc1noc(C)n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)o1 72120939 ZKFLLTFSYVUXKY-HNNXBMFYSA-N 375.429 1.019 0 50 GDAA COc1nc2c(cc1CNC(=O)c1cc(C)nn1C)C(=O)N(C1CCCC1)C2 71749060 VNCUGPCHALQEDE-UHFFFAOYSA-N 383.452 1.961 0 50 GDAA Cc1ccc([C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]2N(C)C)cc1 77437791 LEFFOGFGOBTLFL-RBUKOAKNSA-N 387.505 1.812 0 50 GDAA COc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1NS(C)(=O)=O 72411397 VWSFQTOGGLVBAZ-UHFFFAOYSA-N 388.453 1.219 0 50 GDAA C[C@@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)c1cc(F)ccc1N1CCN(C)CC1 289501416 CIOVVFQFLMWIFI-GFCCVEGCSA-N 398.442 1.633 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1C[C@H](c2cc(N3CCCC3)ncn2)C1 220001284 ARWMGKVCTZZTNT-OKILXGFUSA-N 376.486 1.343 0 50 GDAA CN1C[C@@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)C2)OC1=O 426405152 NZCCWEWYARHTED-GOSISDBHSA-N 385.428 1.035 0 50 GDAA Cc1ccc(Cc2ccccc2C(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1F 426484376 BPFPVMBYDHQFSV-HXUWFJFHSA-N 381.451 1.981 0 50 GDAA O=C(NCCn1ncc2ccccc2c1=O)[C@H](c1cccnc1)N1CCCC1 95378332 IHHVCMLIBGSGBN-IBGZPJMESA-N 377.448 1.745 0 50 GDAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1ccccc1Cn1cccn1 426547499 AQGAPJVLFLHNGV-SFHVURJKSA-N 378.480 1.911 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95513308 SEANFIOMKFBCNS-DLBZAZTESA-N 383.514 1.335 0 50 GDAA CN1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C[C@@H]1CCO 91320230 CNJMTTWKDBXLCJ-ZDUSSCGKSA-N 389.408 1.121 0 50 GDAA COCCn1nnnc1[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)CCO1 97546606 OYYXNEOEXHDSQC-HNNXBMFYSA-N 386.387 1.221 0 50 GDAA Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 91848154 PTBUOLJTHNYQPW-OAQYLSRUSA-N 394.479 1.978 0 50 GDAA Cn1ncc2c1ncn1nc(-c3ccc(CN4CCN5CCC[C@H]5C4)cc3)nc21 245238971 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COc1ccc2cnn(CC(=O)NC3Cc4ccccc4C3)c(=O)c2c1OC 61721057 OAWGEHCFXQDFBA-UHFFFAOYSA-N 379.416 1.697 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n(-c2ccccc2)c1=O 67770570 GSECBPZTHCFVFH-KRWDZBQOSA-N 377.448 1.915 0 50 GDAA CC(C)C(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72433369 SGKJQWMMOZXSSC-NRFANRHFSA-N 386.496 1.585 0 50 GDAA CN1CC[C@H](N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@@H]1c1ccc(F)c(F)c1 253415721 OERURMULEJIYJE-BZSNNMDCSA-N 375.423 1.839 0 50 GDAA O=C1COc2cc(S(=O)(=O)N[C@H]3CCCn4ncnc43)c(Cl)cc2N1 328614995 XMHQFDIPQKCIRV-VIFPVBQESA-N 383.817 1.076 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc3c(c2)OCO3)cn1 328644894 ZMYKYXJZMQTEOX-AWEZNQCLSA-N 377.422 1.244 0 50 GDAA CC(C)Oc1ccc(CCNC(=O)CN2CCC[C@@H](N3CCNC3=O)C2)cc1 363374974 KWHVPPGRWVPLAT-GOSISDBHSA-N 388.512 1.622 0 50 GDAA CC(C)(C)C(=O)N=c1cc[nH]cc1C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 331517969 JCFOFENIUBWBDL-ZDUSSCGKSA-N 382.468 1.880 0 50 GDAA CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 331772100 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GAWJFBIZSTWHTP-FXAWDEMLSA-N 381.432 1.751 0 50 GDAA COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20051518 GBOFSCMNLDEIPY-INIZCTEOSA-N 378.860 1.368 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCC5(CCCC5)C4)cc3C2=O)C(=O)N1 2325886592 BLOZZHOTPVKGSY-KRWDZBQOSA-N 395.459 1.854 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)C4CC(F)(F)C4)cc3C2=O)C(=O)N1 2325886977 PKWMANBEWXUKLS-CQSZACIVSA-N 391.374 1.109 0 50 GDAA Cc1cc(=O)c(C(=O)N2[C@@H](C)[C@H](C(N)=O)CC[C@H]2C)nn1-c1ccccc1F 953003003 FLWCFHULJIZRGG-KWCYVHTRSA-N 386.427 1.795 0 50 GDAA CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 2289503 INXRAYUCICUABB-UHFFFAOYSA-N 378.406 1.998 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(Cl)ccc3OCCN)CC2)[C@H]1O 2356157786 QQDSTHJEBSACJB-ZWKOTPCHSA-N 398.887 1.185 0 50 GDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)COc1ccccc1 4915964 BXDDGWQKLHLHKB-RBUKOAKNSA-N 396.443 1.869 0 50 GDAA O=C(NCc1ccc(-c2nnn[nH]2)cc1)[C@@H]1CCCN1C(=O)Cc1cccs1 110787532 CTAQVTWDDJFNTK-INIZCTEOSA-N 396.476 1.778 0 50 GDAA CN1CCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1(C)C 108259802 XFMBAOCSOZVXLY-IBGZPJMESA-N 377.529 1.285 0 50 GDAA O[C@@H]1CCCN(Cc2cc3n(n2)CCCN(c2nnnn2-c2ccccc2)C3)C1 106946933 RRECMHKFYYGGBL-LJQANCHMSA-N 394.483 1.226 0 50 GDAA COC1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 55214051 AFYIHNIZYIBYIS-UHFFFAOYSA-N 380.388 1.778 0 50 GDAA O=C(O)[C@H]1CCCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 61719515 VKMBTPNJBAAUTF-ZDUSSCGKSA-N 375.812 1.887 0 50 GDAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCC[C@H]1C 248120170 UWPKGLYQRHQFBY-QSUVVDIXSA-N 378.561 1.601 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3ccccc3C)nn2)CN1 67968050 ZEUCCHZUWANUIG-HOCLYGCPSA-N 384.484 1.291 0 50 GDAA COc1ccc(Cc2nc(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)n[nH]2)cc1 170625100 FGVGNNDZENWGRN-UHFFFAOYSA-N 397.435 1.662 0 50 GDAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1 35802422 ZLZDHLRLAYLGIK-UHFFFAOYSA-N 387.505 1.352 0 50 GDAA CC1(C)CC(NC(=O)CC[C@H]2NC(=O)N(Cc3ccco3)C2=O)CC(C)(C)N1 409413291 JEYQVWRYTDHKQF-OAHLLOKOSA-N 390.484 1.906 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1Cc1ccccn1 72427339 BUPHKBVEWULDIY-FQEVSTJZSA-N 381.436 1.210 0 50 GDAA Cc1cc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)cc(C)n1 72475229 CIZZPMYVZRTTGF-OAHLLOKOSA-N 375.498 1.971 0 50 GDAA Cc1nn(C)cc1-c1ccnc(N2CCN(Cc3ccco3)[C@H](CCO)C2)n1 39461044 OOIBYCIVMMQGSV-MRXNPFEDSA-N 382.468 1.852 0 50 GDAA CNC(=O)c1cccnc1N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71748504 SSBFRTMLYVJONA-QGZVFWFLSA-N 399.539 1.744 0 50 GDAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)CCc3cnccn3)CC2)C1 71749227 XVARYNCWPAQGLA-MRXNPFEDSA-N 385.512 1.391 0 50 GDAA COc1cc(CNc2nnc(-c3nccn3C)o2)cc(Cl)c1OCC(N)=O 370526722 LOEXMWJBEADLKE-UHFFFAOYSA-N 392.803 1.608 0 50 GDAA Cc1ccc2c(c1)CN(C(=O)NCCN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)CCO2 376377268 NVCDSMDXPPCVIB-STEAMIEHSA-N 395.459 1.706 0 50 GDAA CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 72150186 ANJWQBMOMNJANF-QGZVFWFLSA-N 386.473 1.664 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)CC2 129904174 KYQVOKRPTMDZSB-LBPRGKRZSA-N 384.358 1.997 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 426405541 NDGLJKUWSXVWKG-AWEZNQCLSA-N 382.472 1.303 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 426380419 MVQOJDNJDPGOCX-KRWDZBQOSA-N 375.517 1.934 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNS(=O)(=O)N3CCCCCC3)cc2C1 426724037 UGMJCUKHUAIAKS-UHFFFAOYSA-N 383.518 1.092 0 50 GDAA COc1cccc(N2CCN(Cc3cnc(N4CCOCC4)nc3)CC2=O)c1 82135198 MTVUEUYYNHYSFJ-UHFFFAOYSA-N 383.452 1.171 0 50 GDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)CCc3nc(C)n[nH]3)C[C@H]21 95376165 MWXVNXMOBZHYKQ-AUUYWEPGSA-N 386.408 1.144 0 50 GDAA Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)cnn1C 239306196 GNKPIMWCTMKOLJ-VNQPRFMTSA-N 382.530 1.824 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@H]2N(C)C)cc1 95526144 PVOSSAMIYMMODF-FXAWDEMLSA-N 379.464 1.996 0 50 GDAA O=C1CCC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1CCc1cccnc1 91664541 ZMRYURBQRUEIRB-UHFFFAOYSA-N 394.475 1.857 0 50 GDAA O=C1C[C@@H](NCCCN2CCOCC2)C(=O)N1c1ccc(Br)cc1 96569065 BCRREGSZYKFEBW-OAHLLOKOSA-N 396.285 1.393 0 50 GDAA CN1CCN(Cc2nnc(C3CCN(C(=O)c4ccccc4)CC3)n2C)CC1 96164822 GVDGWTHHRXJYSH-UHFFFAOYSA-N 382.512 1.582 0 50 GDAA Cc1cnc(N2Cc3nnc(C4CCOCC4)n3[C@H](Cc3c[nH]cn3)C2)nc1 95380854 YTVPWZWLLOXPIY-MRXNPFEDSA-N 380.456 1.798 0 50 GDAA CN1CCCN(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 244646997 GTFFUJURIDAASR-FQVRHNBASA-N 382.508 1.801 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 252540537 PKYXDLRUBQMOED-IAOVAPTHSA-N 391.468 1.276 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OC)c(OC)c2)c1O 253624019 ZPCNMCLWYUHZJQ-SNVBAGLBSA-N 376.365 1.304 0 50 GDAA biogenic CC(C)n1nnnc1-c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O 184563559 WAEGVIWOUUJSAQ-UHFFFAOYSA-N 393.411 1.003 0 50 GDAA CCCn1ccnc1CNC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 534575256 NBIRVKLQWXJQQL-UHFFFAOYSA-N 385.468 1.969 0 50 GDAA NS(=O)(=O)c1cccc(NC(=O)NCc2csc(N3CCCC3)n2)c1 299779866 RXYKPIFFNFBPMV-UHFFFAOYSA-N 381.483 1.712 0 50 GDAA CC(C)[C@@H](C(=O)N(CCO)Cc1nccn1C)n1cnc2ccccc2c1=O 952978360 ZBNRQPFNILATPZ-SFHVURJKSA-N 383.452 1.348 0 50 GDAA CN(CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1)Cc1cccnc1 1565511717 PZGIPHUJNNLJIV-IRXDYDNUSA-N 376.482 1.460 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3csc4ccccc34)C[C@]2(C(=O)O)C1 1565525769 LEKRMKAQTYVWOK-GUYCJALGSA-N 380.491 1.679 0 50 GDAA C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1(N2CCOCC2)CCCC1 187412966 IYLKXPGFRQATDE-ZDUSSCGKSA-N 392.472 1.460 0 50 GDAA CS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 190295668 KCISUARDPFGKEW-AWEZNQCLSA-N 392.308 1.676 0 50 GDAA CCn1cc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)CC)cc3)CCO2)cn1 191718531 SETVBFTURNOJDI-QGZVFWFLSA-N 377.466 1.910 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1O 1529185061 IPAOMCBUSGMHMK-SMDDNHRTSA-N 384.395 1.529 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3[C@H]4CNC[C@]45CC[C@H]3O5)CC2)cc1 1704316427 OXPVRTDRAJFXCY-MTQWCTHYSA-N 391.537 1.068 0 50 GDAA CC1(C)CNC(=O)C2(CCN(C(=O)CCn3cnc4ccccc43)CC2)NC1 1772810489 IRABCUAXVOJDMW-UHFFFAOYSA-N 383.496 1.533 0 50 GDAA Cc1nnc(CCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)s1 1772817493 ROJQMSGSJJQDBJ-LBPRGKRZSA-N 393.538 1.603 0 50 GDAA CCCN1C[C@H]2CN(C(=O)CSc3ccccc3NC(C)=O)C[C@]2(CO)C1 1772817669 HGHMGUSJUVAJEK-JXFKEZNVSA-N 391.537 1.900 0 50 GDAA O=C(O)CN1C[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@]2(CCc2ccccc2)C1 1772708491 CZOVVMGBXGEPCB-SIKLNZKXSA-N 396.491 1.820 0 50 GDAA CN(CCn1ccnc1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 12301138 WVPOQGGZRFHELU-LJQANCHMSA-N 390.553 1.804 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)CC1 12432339 HCKNVMPLCOVZDQ-LJQANCHMSA-N 378.561 1.511 0 50 GDAA COC(=O)CCCNC(=O)CCc1nnc(CCc2ccccc2OC)o1 12454094 ARBDOIUBJBDCCP-UHFFFAOYSA-N 375.425 1.865 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C1=O 14534764 KXJATBJHLBKREM-KGLIPLIRSA-N 384.263 1.801 0 50 GDAA Cn1cc(CN2C[C@H](OCc3cccnc3)CN(Cc3ccco3)CC2=O)cn1 14747912 SGWZZWUDEWKOGY-HXUWFJFHSA-N 395.463 1.838 0 50 GDAA O=C(O)CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 1803590 CUXHHKPTXITLPC-XNTDXEJSSA-N 382.372 1.777 0 50 GDAA biogenic CC(C)c1nc(CN2CC[C@@]3(C2)Cn2c(nnc2-c2ccnn2C)CO3)co1 1857681773 NHQXSZQVQVPBEG-LJQANCHMSA-N 383.456 1.965 0 50 GDAA Cn1c(=O)c(-c2nccn2CCCN2CCC[C@@H](C(N)=O)C2)cc2ccccc21 1857685314 RDARCYFTZRKLPR-QGZVFWFLSA-N 393.491 1.989 0 50 GDAA CN1CC[C@@H](N2CCC(NC(=O)c3n[nH]c4ccc(Cl)cc34)CC2)C1=O 333384301 BWKUBRQSOLXMBD-OAHLLOKOSA-N 375.860 1.641 0 50 GDAA CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1c1ccc(F)cc1 837853855 WTVDPIFYIKJSCU-LSDHHAIUSA-N 379.432 1.910 0 50 GDAA Cn1ncc2c1CCN[C@H]2C(=O)NCc1ccc(OCc2ccccn2)cc1 1875392587 JMMLUQOQIVPIKX-HXUWFJFHSA-N 377.448 1.897 0 50 GDAA Cn1c(N2CC[C@@H](Nc3ccc(-c4ccncc4)cn3)C2)cc(=O)n(C)c1=O 1875399078 NYWLXZGCDKWHNX-MRXNPFEDSA-N 378.436 1.232 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)C1 1875370960 JWWWVDUNBGGQCG-GDBMZVCRSA-N 387.484 1.590 0 50 GDAA O=C1CN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CN1CC1CC1 1312390556 CSDOXKVKOPJTRJ-HNNXBMFYSA-N 394.834 1.806 0 50 GDAA Cc1ccc(-c2nc(N[C@H]3CCC(=O)NC3=O)cc(N3CCN(C)CC3)n2)cc1 1857797777 PIYHXNJJJUIENJ-INIZCTEOSA-N 394.479 1.421 0 50 GDAA CN(C)Cc1cc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4F)n3C2)no1 2325802908 DUADHGJAIXTBJL-LBPRGKRZSA-N 384.415 1.879 0 50 GDAA O=S(=O)(c1cnn(-c2ccc(Cl)cc2)c1)N1CCNC[C@@H]1c1cn[nH]c1 2325805176 WIGUSDKLYJIUHR-MRXNPFEDSA-N 392.872 1.584 0 50 GDAA C[C@@](CO)(CNC(=O)c1cnc(C(F)(F)F)s1)NC(=O)[C@H]1CC12CCC2 2325829512 LMFSCEUAYJQWTK-OTYXRUKQSA-N 391.415 1.949 0 50 GDAA O=C(CCC(=O)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3)Nc1ccc2c(c1)CCC2 2356164844 IYHSPQMUECYKJF-GHDARCQNSA-N 384.476 1.892 0 50 GDAA CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl 4838745 JBWSCLCFGZPKCW-CYBMUJFWSA-N 397.884 1.497 0 50 GDAA COCCCn1c(CN2CCCN(C3CCCC3)CC2)cnc1S(C)(=O)=O 20995384 DHCCUQAQRNMEGO-UHFFFAOYSA-N 398.573 1.773 0 50 GDAA C[C@@H]1CN(c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)CCN1 67541593 ASURCZUBURRORM-MRXNPFEDSA-N 381.480 1.958 0 50 GDAA COc1cccc(-c2cn3c(C(=O)N4CCO[C@@H](C(N)=O)C4)csc3n2)c1 67784562 GJFJGGKSPCXFEO-OAHLLOKOSA-N 386.433 1.398 0 50 GDAA COc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 20653846 CNMYCKRMEHIWQJ-MRXNPFEDSA-N 389.452 1.880 0 50 GDAA COCCN(C)c1ccc(CNCc2cccnc2N2CCN(C)CC2)cn1 252509282 YJGNSGPOBVUOCG-UHFFFAOYSA-N 384.528 1.601 0 50 GDAA CCOC(=O)[C@@](O)(c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1)C(F)(F)F 218489955 PWEFONIKRICGCM-INIZCTEOSA-N 386.326 1.684 0 50 GDAA COC(=O)[C@@H](Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2)C1CC1 71746209 CNSVQDCASZOVJN-KRWDZBQOSA-N 381.436 1.807 0 50 GDAA O=C(Cc1cccnc1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72432603 DLMDXGPQGRDOSH-MOPGFXCFSA-N 385.489 1.134 0 50 GDAA O=C(O)c1cc(-n2ncc3ccccc32)cc(S(=O)(=O)N2CCOCC2)c1 71764504 UXXAYEXWSLDRBZ-UHFFFAOYSA-N 387.417 1.745 0 50 GDAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2cccnc2)cc1 363161266 RYVJWYHBQXCMLM-KRWDZBQOSA-N 382.420 1.450 0 50 GDAA CCCCCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc2C1 77375839 CWRODQUBGCWZJO-UHFFFAOYSA-N 378.458 1.466 0 50 GDAA CO[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 77358166 RMJSBSSYHKQEOW-INIZCTEOSA-N 399.447 1.644 0 50 GDAA CN(C)c1ccc(-c2cncc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)cc1 125183748 GJPPGOUXNDILKI-KRWDZBQOSA-N 388.493 1.578 0 50 GDAA Cc1cc(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)c2c(C)nn(C)c2n1 262725162 SBSQKVHFDYEAEX-UHFFFAOYSA-N 385.468 1.643 0 50 GDAA CS(=O)(=O)c1cnc(NCCCc2ccccn2)nc1[C@H]1CCCNC1 72410970 VTUWKFMMVXOTGK-AWEZNQCLSA-N 375.498 1.787 0 50 GDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3nnc(CC(C)C)s3)n2)n1 40283927 YBQDXTUTESDJPJ-UHFFFAOYSA-N 387.469 1.735 0 50 GDAA COc1ccc(NC(=O)N(C)CCCn2cccn2)cc1NS(C)(=O)=O 426442845 GEMFIACMSYVGGJ-UHFFFAOYSA-N 381.458 1.817 0 50 GDAA Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c(=O)n1 95392303 IBHUCMPBZAOCDH-PKOBYXMFSA-N 381.480 1.378 0 50 GDAA O=c1ccc(-c2nc(Cc3cccs3)nn2[C@H]2CCS(=O)(=O)C2)c[nH]1 95527628 QSKZYLJKDAIATO-LBPRGKRZSA-N 376.463 1.645 0 50 GDAA Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)CCc2cccnc2)CC1 96140803 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O=C(c1c[nH]nc1-n1cnnn1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506397679 GKSVZWTXNMYWKY-UHFFFAOYSA-N 381.375 1.421 0 50 GDAA Cc1cc(C)nc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n1 1529134313 VBEKEMNRKFKTIA-MOPGFXCFSA-N 381.436 1.236 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(O)(c3ccccn3)CC2)[C@@H](c2ccccc2)N1 1529101841 OHJSPWKEXAUSIT-MOPGFXCFSA-N 381.432 1.148 0 50 GDAA Cc1ccc(C)c(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1C 1704336450 JBTKIPJDHZIQRO-HOTGVXAUSA-N 384.498 1.013 0 50 GDAA CCOCCN1C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@]2(CCC(=O)O)C1 1772711121 ZBCCDGTVBKLZLP-BEFAXECRSA-N 379.457 1.567 0 50 GDAA CCC(=O)N[C@]1(C)CCOC2(CCN(Cc3n[nH]c(C)c3Cl)CC2)[C@H]1O 1772706734 PGOZGALVJZJBJE-DLBZAZTESA-N 384.908 1.772 0 50 GDAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](OCc2cccnc2)C1 11665031 SOMRBRCHAOGBCK-LJQANCHMSA-N 398.511 1.980 0 50 GDAA O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCC(O)CC1 12313812 QHEZPONPDOWECJ-HXUWFJFHSA-N 381.476 1.514 0 50 GDAA O=C(NCCCN1CCCC1=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12753317 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CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC[C@H]2CCCO2)n1 2733096 NSRFYMZUJCAFCP-LLVKDONJSA-N 396.398 1.964 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 328629284 ICNATLDEYULHSB-ZMMAXQRCSA-N 376.501 2.476 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2cc(C)ccc2[nH]1 72146815 ASMQGEFOLAFUKT-GOSISDBHSA-N 383.496 1.986 0 50 GDAA COc1ccccc1CN1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2cccnc2)C1 72130682 GEEPYIKPTGUUBH-MSOLQXFVSA-N 383.448 1.929 0 50 GDAA CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 77459688 FTHVAKXCCCNSQL-HNNXBMFYSA-N 378.860 1.935 0 50 GDAA C[C@H](C(=O)Nc1nnc(NS(C)(=O)=O)s1)[C@@H]1OCCc2sccc21 366638660 XSUJPZZGIYBXJJ-XVKPBYJWSA-N 388.496 1.860 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1 332975966 HCUVYWUEXYHYBC-ZFWWWQNUSA-N 398.529 1.312 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCC4(CCCO4)CC3)ccc21 71765561 CQRIUGIBOBTCDS-INIZCTEOSA-N 384.480 1.930 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)c1 446772945 AJDILTPQNPHALS-UHFFFAOYSA-N 385.376 1.419 0 50 GDAA COCCO[C@@H]1C[C@H](CO)CN(c2nc(O)c3cnn(-c4ccccc4)c3n2)C1 447675691 CGFLBZWHWSIORA-GOEBONIOSA-N 399.451 1.371 0 50 GDAA CCCC[C@H]1C=CCN1C(=O)c1cccc(S(=O)(=O)NCC(=O)NC)c1 214998274 IUPLJIQDBYGCRT-HNNXBMFYSA-N 379.482 1.282 0 50 GDAA C[C@@H](O)c1ncc(CNc2cnn(CC(=O)N3CCOC(C)(C)C3)c2)s1 377632971 YOBGYEXUXJQAIG-GFCCVEGCSA-N 379.486 1.642 0 50 GDAA CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCN1C[C@@H](C)O 378567365 BQMWLNBMTJARCY-NUJGCVRESA-N 389.496 1.300 0 50 GDAA Cc1nsc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)n1 173270842 UELQFVXIHFUJTR-UHFFFAOYSA-N 390.444 1.478 0 50 GDAA COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 19773432 XKVYOPYKHRYZFM-SFHVURJKSA-N 395.569 1.231 0 50 GDAA CC(C)(O)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 40379055 GGNIFXBIJCNXCT-CQSZACIVSA-N 376.457 1.422 0 50 GDAA in-vitro O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)N1CC(COc2ccccc2)C1 288520145 USGUWXHDHICCCO-APWZRJJASA-N 394.493 1.443 0 50 GDAA CC(C)n1cnnc1CCNC(=O)c1cccc(-c2cncc(C(N)=O)c2)c1 426423080 QJMWWYIFDIXVST-UHFFFAOYSA-N 378.436 1.992 0 50 GDAA O=C(CCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)c1ccc(F)cc1 221353566 JRHVNRRHIJXFSP-GOSISDBHSA-N 375.400 1.443 0 50 GDAA CC(C)(C)n1cnc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)n1 291025927 WNISJEKYCPQBFO-MRXNPFEDSA-N 375.448 1.976 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCCO[C@H](Cn2cccn2)C1 426519028 WHANWSDYQLYUGK-KRWDZBQOSA-N 396.451 1.969 0 50 GDAA O=C(O)C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 82121447 GMMDTDQMBBBFIB-UHFFFAOYSA-N 376.388 1.523 0 50 GDAA Cn1c(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)nc2ccccc21 194543621 PJQHMEMIKPFLDR-UHFFFAOYSA-N 398.511 1.413 0 50 GDAA COCCc1noc([C@@H](C)NC(=O)N2CCC(Oc3cccnc3)CC2)n1 426504627 QUOWWCVKYCGQLX-CYBMUJFWSA-N 375.429 1.968 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)NCc1nc(C(F)(F)F)n[nH]1 426386909 NQLZVOAYSBCSJH-UHFFFAOYSA-N 381.318 1.908 0 50 GDAA CCn1ncnc1[C@H](C)NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95363425 ATKVHCJGQJUEJA-ZDUSSCGKSA-N 383.456 1.512 0 50 GDAA COc1c(Cl)cc(Cl)cc1CN1C[C@H](CO)[C@H](CN(C)CCO)C1 91625262 LSQVWHGCGQGGTH-ZIAGYGMSSA-N 377.312 1.966 0 50 GDAA O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 92080566 NNAXYDIABXVRQF-UHFFFAOYSA-N 379.395 1.933 0 50 GDAA COc1nccnc1N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 95380996 BLVZOIFBUJJTLD-UHFFFAOYSA-N 382.468 1.993 0 50 GDAA COc1cc(CN2CCC(C)CC2)ccc1OC[C@H](O)CN1CCOCC1 95501778 JQQRNKUOASZKQS-LJQANCHMSA-N 378.513 1.999 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244701132 KASIUFFWMJOVPB-DAYGRLMNSA-N 377.466 1.454 0 50 GDAA Cn1cnn(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)c1=O 296806550 ILSZIWMRXTXETJ-HUUCEWRRSA-N 393.469 1.048 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)[C@@H](O)Cc2ccccc2)C1 252536569 IWLMAKUQKBWGAB-ULQDDVLXSA-N 380.452 1.026 0 50 GDAA CCNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cc(C(C)C)[nH]c(=N)n3)[C@@H]2C1 1940195070 KYTUOMXRAWRBSY-APHBMKBZSA-N 375.473 1.158 0 50 GDAA O=C1CO[C@H](CNc2ccncc2F)CN1CC1CCN(CC2CC2)CC1 299788357 UQBHAYGUPNIYII-QGZVFWFLSA-N 376.476 1.982 0 50 GDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cccc2c1OCCO2 828177512 LBSVIEDXAQUWFJ-LWYUSKRHSA-N 381.436 1.922 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 269002536 ZMHGHGLBPRWJKN-CYBMUJFWSA-N 380.198 1.560 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 276252598 FWNWWXHKQMOGIA-ZDUSSCGKSA-N 375.860 1.824 0 50 GDAA CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cnc(-c3ccccc3)nc1)CC2 187223082 SZXOGPWTSWPOSC-CQSZACIVSA-N 384.465 1.591 0 50 GDAA CC(C)N(C)c1ccc(CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cn1 190785057 WPLKMNUVYCEUKN-UHFFFAOYSA-N 395.507 1.788 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@H]1O 1529133476 KWMDWTNTNRSZKR-JOYOIKCWSA-N 375.903 1.638 0 50 GDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2nnc3nc(C)ccn23)c1 1529161757 OLKWQYKHJXPHBI-GFCCVEGCSA-N 395.452 1.836 0 50 GDAA Cc1ccc(N2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@@]3(CN(C)C)C2)nn1 1775982064 GYHJYGIKEWOHQB-SIKLNZKXSA-N 394.523 1.639 0 50 GDAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1OC 11814915 SXAGBUMOUWMSAB-AWEZNQCLSA-N 399.495 1.941 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1OC 13153483 KRHSFOBGHWEIRI-WWNBULGVSA-N 378.421 1.861 0 50 GDAA COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(OC)c(OC)c3)nn2c1=O 18219957 DKYNRCZTDNFGNY-UHFFFAOYSA-N 387.396 1.071 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 19921220 KWMBDDZCRPVLDE-CQSZACIVSA-N 385.917 1.515 0 50 GDAA C[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 4471620 MIWVVQMVAIPNSG-KMHUVPDISA-N 382.372 1.776 0 50 GDAA biogenic O=C(NCc1cn2ccncc2n1)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857689433 DGIBVUABVAZUNB-UWJYYQICSA-N 398.511 1.111 0 50 GDAA O=S1(=O)CCC(n2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)CC1 1857726923 FQTZZFJQHTXXAB-HNNXBMFYSA-N 377.470 1.681 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(c3cnccn3)C[C@]23CC[C@H]1O3)c1ccc2c(c1)CCO2 1857729279 WBODUJMUTGCGBH-ODULNIPZSA-N 392.459 1.825 0 50 GDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]12 1857730011 MNGVYBFKEUKDKX-ULQDDVLXSA-N 378.473 1.375 0 50 GDAA Cc1ccn(CCNC(=O)c2cn3c(n2)CCN(c2ncccc2F)CC3)n1 1875244716 QSVAXPBANFBDKM-UHFFFAOYSA-N 383.431 1.415 0 50 GDAA O=C1C[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2)CN1 1875245123 KWTZBUPLIIDYKV-SFHVURJKSA-N 385.489 1.551 0 50 GDAA CC(C)CN(C)C[C@@H](O)C1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 1875249750 XNSZBPHQCXDDOX-GOSISDBHSA-N 389.496 1.782 0 50 GDAA CCN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)CC1 12421601 XJOXSIWJZFTZNF-UHFFFAOYSA-N 397.479 1.463 0 50 GDAA CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)o1 156582393 DJPFPYWXHAXUGC-UHFFFAOYSA-N 377.466 1.767 0 50 GDAA CN(C)C(=O)[C@@H]1c2cnn(C)c2CCN1C(=O)CC1CCN(CC(F)F)CC1 1875394822 XXNNMGLOUJGLIO-SFHVURJKSA-N 397.470 1.301 0 50 GDAA C[C@]1(C[C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)nn2C2CC2)NC(=O)NC1=O 1875311391 XPWDGLKGHJNZKK-MGPLVRAMSA-N 399.373 1.830 0 50 GDAA Cn1ncc(-c2ccc(Br)cc2)c1NC(=O)C[C@@H]1CNC[C@H]1O 1875401791 RUMSXZNUYJRMAT-BXUZGUMPSA-N 379.258 1.759 0 50 GDAA O=C(COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1 778626 GSDRKGUVNIZGCO-UHFFFAOYSA-N 394.424 1.864 0 50 GDAA CCN1CCN(Cc2cc(C)cc(CN3CCO[C@@H](c4nn[nH]n4)C3)c2C)CC1 2100542681 DMIWHMOXLQJXCV-HXUWFJFHSA-N 399.543 1.528 0 50 GDAA CCCN(C(=O)CNC(=O)CC(C)(C)C)[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 2325793993 NLHSGGFUSAXJTP-JKSUJKDBSA-N 380.533 1.082 0 50 GDAA CCC1(C(=O)NCCN(C)C(=O)[C@H](C(C)C)N2CCCC2=O)CCOCC1 2325794111 QOGYUXPXHQXGHN-KRWDZBQOSA-N 381.517 1.415 0 50 GDAA O=C(c1ccc2c(F)cc(F)cc2n1)N1CCC2(CC1)C[C@H](O)CNC2=O 2325816051 RZXUSSBRFUPWKR-LBPRGKRZSA-N 375.375 1.616 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356147081 HFWAZEFCRGFKHI-NRJQMVOHSA-N 393.491 1.753 0 50 GDAA CN(CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)Cc1ccncc1 2356167272 LQUFUGBSEPDBGS-UHFFFAOYSA-N 390.491 1.781 0 50 GDAA O=C1c2ccccc2C(=O)N1CCOCCON1C(=O)c2ccccc2C1=O 3124796 BCADQBGJZAGRSF-UHFFFAOYSA-N 380.356 1.527 0 50 GDAA O=C(NCCCn1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 4911506 GVGZEYSNZDPYAB-OAHLLOKOSA-N 394.472 1.629 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 6661337 DXSJZDYARZIXAM-IBGZPJMESA-N 382.416 1.820 0 50 GDAA COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)CC1 55371037 KXHRHJIWCSWAKK-QGZVFWFLSA-N 397.878 1.807 0 50 GDAA CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)C1 247937345 VUOWNTJBTVGGOS-WMZOPIPTSA-N 388.464 1.640 0 50 GDAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1N1CCS(=O)(=O)CC1)CC2 67818590 GLZJMEBIQJHFQL-JKSUJKDBSA-N 377.510 1.230 0 50 GDAA CCc1nnc(NC(=O)Cn2ncc(N(C)Cc3ccccc3)cc2=O)s1 20818678 XKJGLDDOWIZFQX-UHFFFAOYSA-N 384.465 1.932 0 50 GDAA Cc1cccn2c(CNCCCn3ccnc3)c(C(=O)N3CCOCC3)nc12 12317711 YVTCDVOSLWRKAQ-UHFFFAOYSA-N 382.468 1.492 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c(C)c1C 65363723 ZWTHGHIQVGBMAH-UHFFFAOYSA-N 376.482 1.921 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1 328616010 ZMGCYHQLVPLHKP-KRWDZBQOSA-N 395.437 1.246 0 50 GDAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1ccccc1N(C)S(C)(=O)=O 433042362 YXABCVZJQRTVOK-MRXNPFEDSA-N 396.513 1.851 0 50 GDAA CC(C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCC(=O)N1Cc1ccc(F)cc1 71753726 XEXFMUCKNZKFGS-INIZCTEOSA-N 375.444 1.677 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 77540173 NBNLKEVARYYODQ-UHFFFAOYSA-N 382.468 1.374 0 50 GDAA COc1ccccc1CCNC(=O)CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 363382544 XJQILQGQRUTCRK-CMKODMSKSA-N 389.540 1.928 0 50 GDAA C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239433126 XGBNIRZWWOYETN-BHIYHBOVSA-N 381.476 1.671 0 50 GDAA NC(=O)[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 368403322 BSTIDJFIGCNYJH-GJZGRUSLSA-N 396.285 1.345 0 50 GDAA O=C(N[C@@H]1CCCc2cn[nH]c21)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 287479104 ICGKGXFAGVILCC-ZIAGYGMSSA-N 383.456 1.305 0 50 GDAA Cn1c(CO)nnc1C1CCN(C(=O)NCCCc2ccc(F)cc2)CC1 426604234 FMVIIXYDZPZJQN-UHFFFAOYSA-N 375.448 1.968 0 50 GDAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N1CCN(Cc2cccnc2)CC1 178366391 QZUXURXXYQBDHS-UHFFFAOYSA-N 386.477 1.761 0 50 GDAA CN(C)c1nc(N)nc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91725144 IXODKKIYTHILHV-HXUWFJFHSA-N 398.467 1.620 0 50 GDAA COc1cccc([C@@H]2CN(C(=O)CSc3nncn3C)C[C@H]2C(=O)O)c1 91461365 DIKMWQZBVIABCW-UONOGXRCSA-N 376.438 1.243 0 50 GDAA O=C1COc2c(F)cc(NC(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2N1 426597482 ZPCXNZKXGPVVSE-GJZGRUSLSA-N 378.404 1.531 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)cc2)C(=O)N1 95374294 AFFYQVVSDIDRPG-QGZVFWFLSA-N 386.452 1.070 0 50 GDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)CC)CC1 248085056 RGPVJNHIMSQFEG-UYLCUJDWSA-N 383.533 1.898 0 50 GDAA biogenic Cc1cccc(OCC(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)c1 252527568 CWRXEIAMMAWTNZ-IXDOHACOSA-N 382.464 1.797 0 50 GDAA CCN(C(=O)NCCc1nc2cc(C)c(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 534659724 TWILOVLGUKQESP-CQSZACIVSA-N 378.498 1.941 0 50 GDAA C[C@H]1CN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCO1 299756476 FQEXQJRFEZKGQG-HNNXBMFYSA-N 377.441 1.567 0 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CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCO2)cn1 275315143 OFFUEOIWVFYRMD-GOSISDBHSA-N 393.465 1.827 0 50 GDAA CCO[C@@H]1C[C@](CO)(NC(=O)c2cccc(NS(=O)(=O)CC)c2)C1(C)C 170602701 NQEUTXHKMBCXJI-CRAIPNDOSA-N 384.498 1.744 0 50 GDAA CC1(c2ccc(Cl)cc2)CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 279475476 RCMNZHLZLJVPMP-UHFFFAOYSA-N 384.929 1.951 0 50 GDAA CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)n1 278397939 NRYVQVWTSARRME-ZIAGYGMSSA-N 391.476 1.629 0 50 GDAA O=C(NCCC(=O)N1CCOCC1)NCc1ccc(-n2ccnc2)c(F)c1 194030827 VJXKBGYTQDPWPW-UHFFFAOYSA-N 375.404 1.060 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1O 1615736340 KZJAYMREBLGEQF-SKDRFNHKSA-N 381.281 1.318 0 50 GDAA Cc1cnc(C(=O)N2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)CC2)cn1 1529190887 OOYDZWHYUAUDLE-UHFFFAOYSA-N 383.456 1.269 0 50 GDAA O=C(O)c1cnc(N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)c(Cl)c1 1772805545 OETHSRHPJNBKHA-SJCJKPOMSA-N 394.884 1.820 0 50 GDAA COCCCN1C(=O)C[C@](CC(=O)NCC(C)(C)CO)(c2ccccc2)C1=O 12098250 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1.748 0 50 GDAA O=S(=O)(Cc1ccccc1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 35597304 YFORSVVYVOZFNP-UHFFFAOYSA-N 384.465 1.314 0 50 GDAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(N)=O)c1C 253431550 SGPILOPAPOSMNN-AWEZNQCLSA-N 393.440 1.879 0 50 GDAA CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccc(F)c3-c3nc[nH]n3)ccc21 365826077 DBLODKXIFSFBSW-UHFFFAOYSA-N 387.396 1.931 0 50 GDAA Cc1cccc2cc(CN3CCc4[nH]ncc4C3)c(N3CCNC(=O)C3)nc12 72435869 ILBQWNAVVSBKMN-UHFFFAOYSA-N 376.464 1.761 0 50 GDAA CN(C)CCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71747624 YVNAMWDHUCCWAE-FQEVSTJZSA-N 387.572 1.826 0 50 GDAA CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77471826 HMVNLRVHJNBLEN-UGNRZPKXSA-N 396.422 1.489 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CC34CCNCC4)CC2)cc1 237516185 HTCRLYVKUUIFPS-IBGZPJMESA-N 385.508 1.688 0 50 GDAA C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CCC(N)CC3)n(C)c2)C1 237678745 ZILKLFCXFKZZFQ-NFOMZHRRSA-N 382.530 1.445 0 50 GDAA C[C@@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 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50 GDAA COCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 2962613 QFVSRABRTNNZIU-UHFFFAOYSA-N 379.276 1.368 0 50 GDAA CCOc1cccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1073379394 RIHCXDFCPFIXPY-SJORKVTESA-N 381.498 1.050 0 50 GDAA CCCN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCN(C(=O)OC)CC1 2356164609 ZMDWHLALNPNUHM-NXLVEIQXSA-N 387.524 1.857 0 50 GDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 4821083 DIGAMSZKMAZMRG-UKRRQHHQSA-N 377.441 1.275 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCC3)CC2)cc1 7781710 IEDJWVTVLXOGBF-UHFFFAOYSA-N 379.526 1.704 0 50 GDAA COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 10541977 JCLOKMWBLRNYLZ-UHFFFAOYSA-N 388.873 1.518 0 50 GDAA CCS(=O)(=O)c1ncc(CN(C)CCn2nc(C)cc2C)n1CCOC 42437789 KSKWWMMHIVGRRF-UHFFFAOYSA-N 383.518 1.268 0 50 GDAA C[C@H](NC(=O)c1coc(COc2ccc(F)cc2Cl)n1)c1n[nH]c(=O)[nH]1 67742726 HGIDNARKCRYXIG-ZETCQYMHSA-N 381.751 1.949 0 50 GDAA COc1ccc(Cn2nc(C(=O)O)c3c2CCN(C(=O)c2cnc[nH]2)C3)cc1 67956058 REUXBNHKPOSKED-UHFFFAOYSA-N 381.392 1.560 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccn2)cc1 11665078 AHLCODGNSTVNLY-FQEVSTJZSA-N 396.491 1.530 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3cc(F)ccc3C)nn2)CN1 67965812 DTVSDNVTHGGHHA-ZFWWWQNUSA-N 388.447 1.040 0 50 GDAA Cn1c(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)nnc1C1CCC1 328620309 GWZYDGREOFLBKE-UHFFFAOYSA-N 378.502 1.577 0 50 GDAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C1=O 328612557 PCUZFLVNFRDTPJ-CYBMUJFWSA-N 389.437 1.176 0 50 GDAA Nc1cc(C(=O)N2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n[nH]1 67880127 DTFQJBXNRAGVRB-UHFFFAOYSA-N 389.463 1.900 0 50 GDAA Cc1ccc(NC(=O)CN(C)CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc1 230097576 XGWSDFKXBRKFOQ-CABCVRRESA-N 375.473 1.665 0 50 GDAA Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 436890368 ZNASJYLDLODJIB-UHFFFAOYSA-N 397.430 1.529 0 50 GDAA CC[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCC(=O)N1Cc1ccccc1 71746026 KPYCXAKZCGKQIY-MRXNPFEDSA-N 378.436 1.778 0 50 GDAA COc1ccccc1CCNC(=O)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 363382546 XJQILQGQRUTCRK-QWFCFKBJSA-N 389.540 1.928 0 50 GDAA CCCSCC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 438596137 ACZPDEPRMBIDSA-UHFFFAOYSA-N 377.454 1.107 0 50 GDAA O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC([C@H](O)c2ncc[nH]2)CC1 367190099 AJTPQIMFHTVHIC-AWEZNQCLSA-N 377.426 1.126 0 50 GDAA O=C1CN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4F)c3)cn2)CCN1 158531702 UTPDONWBFJQDOV-UHFFFAOYSA-N 398.373 1.734 0 50 GDAA CCc1cc(N2CC[C@](O)(CN3CCCCC3)C2)nc(N2CCOCC2)n1 77407937 BHZXABTXTRXTGV-FQEVSTJZSA-N 375.517 1.303 0 50 GDAA CNc1cc(C)nc(N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 71589570 PDXYFIJAWCBENM-MRXNPFEDSA-N 390.532 1.270 0 50 GDAA O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@H]1Cc2cc(F)ccc2O1 131083173 QVQSZCPJPKBTFG-MRXNPFEDSA-N 387.415 1.762 0 50 GDAA CC[C@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 245398606 TZDBAHBWULOKJV-DOTOQJQBSA-N 397.541 1.604 0 50 GDAA COCC(=O)N1CC[C@@H](NC2CCN(c3ccc(F)c(F)c3)CC2)[C@H](O)C1 426472736 LNUCBCWSIOSBAY-QZTJIDSGSA-N 383.439 1.131 0 50 GDAA O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc2[C@H]1O 291182771 HLTPLARGNQUOBS-AZUAARDMSA-N 382.464 1.840 0 50 GDAA O=C1CNC(=O)N1Cc1nc(C2CCOCC2)nn1C1Cc2ccccc2C1 96137874 UPVLVFUTNNLCJX-UHFFFAOYSA-N 381.436 1.564 0 50 GDAA CCc1nccn1CCC(=O)N1CC[C@@](O)(CN2CCOCC2)C(C)(C)C1 91665439 HDXDKYBSRZCLEY-HXUWFJFHSA-N 378.517 1.157 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)CCn4cncn4)C3)CCC2=O)cn1 95523554 WWBQWLNFFIETBF-HXUWFJFHSA-N 397.483 1.198 0 50 GDAA CCOc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)N2CCOCC2)CC1 95386907 XSMVTCRENZTILJ-GOSISDBHSA-N 376.453 1.782 0 50 GDAA Cc1c(CC(=O)N[C@H]2CCNC2=O)c2c(n1Cc1ccccc1)CCCC2=O 95507776 MOWMJNGFSXFGCI-KRWDZBQOSA-N 379.460 1.911 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cc(Cl)cn3C)C[C@H]2CCC(=O)O)CC1 91320901 SROWLGSMQMISQE-ZBFHGGJFSA-N 396.919 1.621 0 50 GDAA Cn1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 296185114 VLDZYBBDVZUVMN-CQSZACIVSA-N 377.470 1.257 0 50 GDAA CCCSCCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 534590719 HTJJITUSJJVCHR-UHFFFAOYSA-N 379.482 1.912 0 50 GDAA O=C1NC[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)N1 1940198123 PDACAMKDPWAJER-OAHLLOKOSA-N 393.447 1.337 0 50 GDAA Cc1cc(O)cc(=O)n1CCC(=O)N1CCC(O)(Cc2ccccc2F)CC1 1339421216 SUHYTKDIEFNZJY-UHFFFAOYSA-N 388.439 1.988 0 50 GDAA CCN(Cc1cnn(CC)c1)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 952983392 LLLTVTQMAKFJKX-KRWDZBQOSA-N 382.530 1.151 0 50 GDAA CC(C)=CCN1CCOC2(CCN(c3nccc(N4CC[C@H](O)C4)n3)CC2)C1 952973281 YYRHJACTUYISLL-SFHVURJKSA-N 387.528 1.685 0 50 GDAA Cc1nc(CN2CCOC3(CCN(C(=O)[C@@H]4CCCCCN4C)CC3)C2)no1 952873666 YFLHHXLRLOWHMS-KRWDZBQOSA-N 391.516 1.446 0 50 GDAA CN(C)C(=O)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)[nH]1 185160384 XZGRANFVWZOZCZ-IBGZPJMESA-N 384.480 1.276 0 50 GDAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)C1=O 278841491 QWKQOBWXKMIGKL-BFUOFWGJSA-N 375.425 1.727 0 50 GDAA Cn1cncc1CN(CCO)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 1704313779 JQGWOCBHPHLDHQ-ZDUSSCGKSA-N 376.844 1.448 0 50 GDAA Cc1nccc(CN2C[C@@H]3CN(C(=O)c4cccc(O)n4)C[C@@]3(CN(C)C)C2)n1 1772815204 ZLGGXBGATLNUJB-IIBYNOLFSA-N 396.495 1.021 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCc2cnccn2)CC1 11999329 AWYBGPLEUADULT-HXUWFJFHSA-N 390.528 1.775 0 50 GDAA COC(=O)CCN[C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 14745216 XLQKTUKAVNEKRR-MRXNPFEDSA-N 384.480 1.403 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857673774 XNSKVQZLXMTQCG-LBPRGKRZSA-N 395.485 1.315 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857683404 RYMJUGPRABMMQM-YESZJQIVSA-N 377.466 1.784 0 50 GDAA Cc1nonc1C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2 1857685669 ORTVITBJFKCYSN-IWIIMEHWSA-N 380.355 1.250 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)nn1C 1857703238 NNIHLBBUVCZTCE-SFTDATJTSA-N 398.507 1.768 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCOc2ccccc2)C[C@H]1NC(=O)C1(C)COC1 1875250365 RYKKWRHFIJURKO-CGTJXYLNSA-N 390.480 1.518 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@]2(CCSC2)C1 222310902 FMSWBVUWRIRCMB-MRRJBJDNSA-N 382.507 1.869 0 50 GDAA Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 363170934 PTGHICNDAWDDNZ-APWZRJJASA-N 397.458 1.729 0 50 GDAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 263334083 MBPSPNHHYPDYJA-UWVGGRQHSA-N 375.351 1.660 0 50 GDAA Cn1cc([C@]2(CNC(=O)N(CCc3ccccc3)CC(=O)O)CCCO2)cn1 900308602 LHAGPUVMRCPCQS-HXUWFJFHSA-N 386.452 1.765 0 50 GDAA Cc1ccc(N(C)C(=O)C2(n3cnnn3)CCOCC2)cc1Br 857610659 ZUCJAOWBEYEJOE-UHFFFAOYSA-N 380.246 1.913 0 50 GDAA O=C(CCCc1cnn[nH]1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952893147 SHZIQRVKNSHITP-UHFFFAOYSA-N 385.472 1.160 0 50 GDAA NC12CCC(CC1)N(C(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccn1)C2 1875310740 AHLYEPWXMWLWBV-IMYXXEESSA-N 378.476 1.964 0 50 GDAA CN(C)C/C=C/C(=O)NC[C@@]1(CO)CC12CCN(C(=O)OC(C)(C)C)CC2 1875376797 IXXZNMJUEQSPHS-ROUKRRSUSA-N 381.517 1.620 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)CC1CCCC1)C2 1875395943 QOLIZSHEHDMIGK-SFHVURJKSA-N 399.539 1.751 0 50 GDAA CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 4784055 ACVRSRAEUBQFDC-AWEZNQCLSA-N 375.352 1.917 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C)no2)C[C@H]1NC(=O)c1cnn[nH]1 2100473515 OUCSHMOORPBOLU-JGGQBBKZSA-N 390.444 1.111 0 50 GDAA C[C@]12CNC[C@](C)(CN([C@@]3(O)C(=O)Nc4ccc(Br)cc43)C1)C2=O 2106701 WQKHMRDEDLDTLX-BBWFWOEESA-N 394.269 1.047 0 50 GDAA biogenic O=C(NN1CCOCC1)c1ccn(COc2ccc(Br)cc2)n1 2788258 KCJSIYSRAMYQHM-UHFFFAOYSA-N 381.230 1.659 0 50 GDAA CCOc1cc(CN[C@@H](CC)CO)c(Br)cc1OCC(N)=O 6702252 QCNFTRQFNHKZIL-NSHDSACASA-N 375.263 1.572 0 50 GDAA Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 101773539 DWNDPARTYDIVIY-ZOBUZTSGSA-N 378.494 1.934 0 50 GDAA CN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O 22606704 ZBKSGMDBKQVFBI-UHFFFAOYSA-N 379.404 1.245 0 50 GDAA CCN1CCN(C2(C(=O)NCC(C)(C)CN(C)C)Cc3ccccc3C2)CC1 23373657 PHPHJEFOHGPDGQ-UHFFFAOYSA-N 386.584 1.866 0 50 GDAA COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(O)cc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65373619 SPAPGQISWSNMDP-AXHMDWHKSA-N 390.436 1.234 0 50 GDAA Cc1c(Cl)c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1C 5175324 UMANWMRKXHHPFD-UHFFFAOYSA-N 398.872 1.655 0 50 GDAA COc1cccc(C(=O)N2C[C@@H]3CN(CCCSC)C[C@]3(C(=O)O)C2)c1 215994532 FKTVUBMRWZZMKU-KXBFYZLASA-N 378.494 1.907 0 50 GDAA O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528168 TVJHSTFZKGNOIG-UHFFFAOYSA-N 381.436 1.768 0 50 GDAA Cc1cccnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 12307584 HIVHYKNAFAAWAK-KRWDZBQOSA-N 388.418 1.675 0 50 GDAA COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)n[nH]2)cc1OC 434193175 HEBAKFBUVMRQKM-INIZCTEOSA-N 394.431 1.920 0 50 GDAA O=S(=O)(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCCC1 72168064 YMPPZXNVDDCBPP-ZDUSSCGKSA-N 378.420 1.999 0 50 GDAA CCN(Cc1nc(C)no1)S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215147725 AQPCFRYARNRWDU-UHFFFAOYSA-N 378.454 1.825 0 50 GDAA CC(C)(C)COC(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72433891 YFLOGXRJYGWZLX-CVEARBPZSA-N 381.498 1.548 0 50 GDAA Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)CCN(C)c1ccccc1 447022973 IKCDPPRFDBHFDJ-UHFFFAOYSA-N 390.509 1.920 0 50 GDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@@H]3[C@@H](C)N)n2)cc1 237234739 AAUDEYGARHWKLW-RDTXWAMCSA-N 387.484 1.943 0 50 GDAA CCOC(=O)N1CCC(N2CCCn3nc([C@H](O)CN(C)C)cc3C2)CC1 221293433 GNHIUELLBODEHC-GOSISDBHSA-N 379.505 1.305 0 50 GDAA Cn1cc(CNC(=O)c2cccc(-c3nccc(N4CC[C@H](O)C4)n3)c2)cn1 426370310 HUMLKVOSOLSAPV-KRWDZBQOSA-N 378.436 1.378 0 50 GDAA CCS(=O)(=O)N1CCCC[C@H](NC(=O)CSc2nc(C)cs2)C1 82083914 UCAHYKQBNQSUAY-LBPRGKRZSA-N 377.557 1.864 0 50 GDAA CCc1nc(CN2CCN(C)[C@]3(CCC(=O)N(CCOC)CC3)C2)cs1 91535872 PNQOOWWDCRBGOU-IBGZPJMESA-N 380.558 1.851 0 50 GDAA CN1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1=O 179367807 JYZUYZUTLGBABH-GFCCVEGCSA-N 378.230 1.987 0 50 GDAA COc1ccc([C@@H](N)CC(=O)N2CCC(CN3CCCC3=O)CC2)cc1OC 91985438 IFPCBLFZCFHZKO-KRWDZBQOSA-N 389.496 1.955 0 50 GDAA O=C(c1c[nH]nc1C1CCCCC1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91915181 KIDRJAOTYIJUBB-IAGOWNOFSA-N 376.501 1.470 0 50 GDAA CN(C)c1nc(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)cc(C(F)(F)F)n1 91650080 KLWXVPMXRCDDLR-INIZCTEOSA-N 386.422 1.352 0 50 GDAA COc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)nc(N)n1 91586500 QOLUVKWRHHZPOS-HXUWFJFHSA-N 382.468 1.872 0 50 GDAA CCN(Cc1noc(C2CCC2)n1)C(=O)CN1CCN(c2ncccn2)CC1 95379020 IVXFCUPPCDCWKP-UHFFFAOYSA-N 385.472 1.298 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(-c3ccncc3)nc2)C1 244701189 KBSUONLMWWSWKE-CTYIDZIISA-N 379.424 1.318 0 50 GDAA C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 252460249 CWXMCIPULJJRJO-DZUCGIPZSA-N 375.469 1.068 0 50 GDAA biogenic CCCCN1CCn2nc(CNS(=O)(=O)c3ccc(OC)cc3)cc2C1 299800301 VHPHEXSUMZBERO-UHFFFAOYSA-N 378.498 1.986 0 50 GDAA O=C(Cn1nnnc1N1CC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccccc2C1 1337386037 MARQPYKHDWNMNW-ZWKOTPCHSA-N 382.468 1.121 0 50 GDAA COc1ccc(NC(=O)c2cccnc2N2CC[C@H](CO)[C@@H](O)C2)c(OC)c1 1529188741 AYOLFEVGZGVAPA-DYVFJYSZSA-N 387.436 1.531 0 50 GDAA O=C(CCN1CCOCC1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565512886 DXYBOYNSBKIWFC-NQIIRXRSSA-N 383.536 1.799 0 50 GDAA Cn1nc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)c2ccccc2c1=O 1565514114 IUOFRUQHQGAYJZ-HOTGVXAUSA-N 380.404 1.295 0 50 GDAA Cc1noc2ncnc(N3CCC(NS(=O)(=O)c4cccs4)CC3)c12 193386192 IRZGGDNWGCNIMJ-UHFFFAOYSA-N 379.467 1.935 0 50 GDAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 772434610 HPMUNQOLAOKCKZ-OAHLLOKOSA-N 382.428 1.373 0 50 GDAA Cc1cc(C)n(C)c(=O)c1C(=O)Nc1nnc(SCC(=O)N(C)C)s1 1529181372 NFXLSSXMORRGEH-UHFFFAOYSA-N 381.483 1.286 0 50 GDAA COc1ccc(-c2noc(CNC(=O)[C@@H]3CC[C@H](O)[C@H](OC)C3)n2)cc1OC 1704311895 WDMDCLPXQQJDRD-VNHYZAJKSA-N 391.424 1.546 0 50 GDAA COCCN1C[C@@H](CNC(=O)c2cn(CCCc3ccccc3)nn2)CC1=O 12058472 ICDBGXHGZKUERR-QGZVFWFLSA-N 385.468 1.136 0 50 GDAA COc1ccc(C2(CNC(=O)Cn3nnnc3CN3CCCC3)CCCC2)cc1 12314232 CGRNMESJVFSMOV-UHFFFAOYSA-N 398.511 1.906 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1C 13009207 BVMZFSRCXZOAPM-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA C(CCNc1nc2nonc2nc1N1CCSCC1)CCN1CCOCC1 14974355 ADJYNYNVKAMQBG-UHFFFAOYSA-N 393.517 1.480 0 50 GDAA CC[C@]12COC(=O)N1CCN(S(=O)(=O)c1cc(-n3cccn3)ccc1C)C2 1857680404 IMCUHWOLGMLKLK-SFHVURJKSA-N 390.465 1.786 0 50 GDAA Cc1c(NC(=O)CN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)cnn1C 1857685298 QYFFVNXQAQQGTP-HXUWFJFHSA-N 383.452 1.416 0 50 GDAA Cc1cnnc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)c1C 1857714183 MKXBCEAPMOXKCA-OAQYLSRUSA-N 396.495 1.910 0 50 GDAA Cc1nn(-c2cccc(F)c2)cc1C(=O)NS(=O)(=O)C[C@H]1CCCCO1 842299704 QMRAVYGCZNRWSX-OAHLLOKOSA-N 381.429 1.949 0 50 GDAA Cc1n[nH]c(C)c1NC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1875271419 LTZSTUFLGSODCW-ZWNOBZJWSA-N 380.392 2.000 0 50 GDAA Brc1c[nH]c(=NCc2cnn3ncccc23)cc1N1CCOCC1 1875265562 IVIPFHNHFVKFNR-UHFFFAOYSA-N 389.257 1.757 0 50 GDAA COc1ccc(-c2cc(C(=O)N3CCS(=O)(=O)N4CCC[C@H]34)n[nH]2)cc1 1875295953 CNAPVEJNRFNODH-MRXNPFEDSA-N 376.438 1.293 0 50 GDAA Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C 1875302932 OHJFGFHCJIHNMA-HIFRSBDPSA-N 390.484 1.815 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCO)CC[C@@H]1NC(=O)c1c(C)cc(C)nc1O 2100545303 NRCXWSYIPHILOT-JYJNAYRXSA-N 393.484 1.206 0 50 GDAA 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Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356144308 RARIZZWDWVUJIS-UXLLHSPISA-N 388.493 1.716 0 50 GDAA O=C1C[C@H](C(=O)N=c2nc3nccc(-c4ccccn4)n3[nH]2)C2(CCCC2)O1 2356167786 BSQPNRLCQLWAHF-GFCCVEGCSA-N 378.392 1.423 0 50 GDAA Ic1ccc(Nc2nc3nonc3n3nnnc23)cc1 4059017 YNHSOUAAXJQRBI-UHFFFAOYSA-N 380.109 1.404 0 50 GDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 101455695 WGOLIZUAAFLXMG-LNMJFAINSA-N 386.448 1.806 0 50 GDAA Cc1cc(C)nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)n1 55343554 NDFMELXLNFCHSX-SFHVURJKSA-N 399.470 1.282 0 50 GDAA Cc1cccc(CN2CCN(Cc3cccc(OCCO)c3)C[C@@H]2CCO)n1 20454105 LKBCWTXAJYBGMF-NRFANRHFSA-N 385.508 1.830 0 50 GDAA Cn1ncc(N2CCC(CNC(=O)c3ccc(-n4cccn4)cc3)CC2)cc1=O 23619164 MIXYSQSCOXLHFP-UHFFFAOYSA-N 392.463 1.612 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2c(C)c(C)nc3ncnn23)[C@@H]1c1cnn(C)c1 328608803 BGDMMRSLGHPCTQ-WMLDXEAASA-N 398.471 1.123 0 50 GDAA C[C@H]1CCN(Cc2ccccc2)C[C@H]1NCCNS(=O)(=O)c1ccn(C)c1 253418756 VLUXHOCWUFHDSL-FXAWDEMLSA-N 390.553 1.804 0 50 GDAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@H]2CCCN(S(C)(=O)=O)C2)n1C 328654160 XGUNIGPYEBVGEA-NVXWUHKLSA-N 396.557 1.583 0 50 GDAA NC1CCN(c2ccc(C(=O)NCC[C@H]3COc4ccccc4O3)cn2)CC1 67691940 RSSTUFIGHHRTGO-KRWDZBQOSA-N 382.464 1.969 0 50 GDAA Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cnc4c(c3)c(C)nn4C)C2)cn1 328624009 JPBAKOIKERAUTJ-HNNXBMFYSA-N 387.465 1.822 0 50 GDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1C 72427140 JTPAAAFULNMBOO-KRWDZBQOSA-N 385.516 1.110 0 50 GDAA O=C(Cn1cc(I)cn1)n1cc(Br)cn1 4772706 CQROKSNBYKFANR-UHFFFAOYSA-N 380.971 1.787 0 50 GDAA CN(C)c1ncnc2c1CCN(C(=O)c1cn3c4c(cccc4c1=O)CC3)C2 72143661 XXZJRAARKKEPAG-UHFFFAOYSA-N 375.432 1.612 0 50 GDAA CN(C[C@@H](O)CO)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72156777 NLWXSGBFVZEQBD-OAQYLSRUSA-N 382.504 1.510 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@H]3C1=O 77452477 AIRYNJNKUWZPRJ-CLWJZODNSA-N 388.464 1.996 0 50 GDAA Cc1cc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1O 72409106 VOVOFQAAFINZSM-CVEARBPZSA-N 394.493 1.197 0 50 GDAA Nc1nc(N)c(-c2c(-c3ccc(Cl)cc3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1 6667843 VHLUOZWIROXBAO-UHFFFAOYSA-N 384.787 1.069 0 50 GDAA CN1C(=O)[C@](CCC(=O)N2CCNC(=O)C2)(Cc2ccccc2)c2ccccc21 71735965 SXWQXGZRVSQNID-HSZRJFAPSA-N 391.471 1.882 0 50 GDAA CCc1oc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1CN(CC)CC 218867170 PZFDYLDZAOYYEK-UHFFFAOYSA-N 387.484 1.730 0 50 GDAA CN1CCN([C@H]2COC[C@@H]2NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 72480702 VYQJRAXIKQIUSZ-OALUTQOASA-N 375.513 1.135 0 50 GDAA Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)n(C)c2n1 12446288 RKTYDWOPNWEKBY-UHFFFAOYSA-N 396.403 1.122 0 50 GDAA CCc1cc(N2CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)ncn1 216227621 KTTNXTWHFBRLQJ-SFHVURJKSA-N 383.500 1.742 0 50 GDAA COc1ccc2c(c1)CN(C(=O)c1cn(CC(N)=O)nn1)[C@H](C1CCCCC1)C2 370362170 RXTBQBCFGYQPAW-IBGZPJMESA-N 397.479 1.919 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)cc2)n1 215949645 IZHYHFXWPDMJGC-OAHLLOKOSA-N 380.408 1.505 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 238076340 FEIQMCBJNZOKHR-STQMWFEESA-N 381.226 1.878 0 50 GDAA COc1ccccc1N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 40286298 BEIPXOKBXYAXCO-LJQANCHMSA-N 378.436 1.620 0 50 GDAA Cc1ccc(OC2CCN(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 426737376 ITJRJSVUHCPRFK-QGZVFWFLSA-N 388.512 1.745 0 50 GDAA CNc1cc(C)nc(-c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)n1 426551954 IWTLBIOOFUYGCZ-UHFFFAOYSA-N 389.463 2.246 0 50 GDAA COc1ccc(Cn2nccc2NC(=O)N2CC[C@@H](O)C2)c(OC)c1OC 95527771 QGCBRHODKYKOKX-CYBMUJFWSA-N 376.413 1.556 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)Cc1ccc(F)cc1Cl)CC2 95385075 DESIUYGKEKJOMS-CYBMUJFWSA-N 382.819 1.946 0 50 GDAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)no1 95388174 HWLNUHGAMVSIEK-UHFFFAOYSA-N 378.454 1.919 0 50 GDAA O=C(NCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 91625756 ULFSNXQEADMTLR-OAHLLOKOSA-N 375.444 1.853 0 50 GDAA CN(C)C[C@@H](O)COc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 95528711 UVYDWNRWFLVZLQ-GOSISDBHSA-N 377.485 1.405 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCCn2cnc3ccccc3c2=O)on1 96136773 FFEZXVSWZDPPMO-BEFAXECRSA-N 396.447 1.847 0 50 GDAA Cc1nc(CCC(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n[nH]1 92002491 ZQKLPTGDYSUVLC-LJQANCHMSA-N 375.473 1.066 0 50 GDAA O=C(c1cccnc1)N1CCC(Oc2ccc(C(=O)N3CC(O)C3)cc2)CC1 95501893 DGVYUDYHFLWRSY-UHFFFAOYSA-N 381.432 1.582 0 50 GDAA COCCOc1cccc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)c1 96166145 ICCGZTFGCHNAHH-UHFFFAOYSA-N 375.429 1.753 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc4occc4c3)cc2C1 91808717 HCPAEWQHRWHZJN-UHFFFAOYSA-N 388.449 1.725 0 50 GDAA COc1ccc(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1C(=O)O 299744777 PVGVTHJBDPJQCY-GFCCVEGCSA-N 384.388 1.824 0 50 GDAA CC[C@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2)c1cnn(C)c1 534673699 XRMSVPXGIPIRKF-KRWDZBQOSA-N 387.488 1.565 0 50 GDAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1 952963616 JIFSOBQARJJUNW-ZDUSSCGKSA-N 378.454 1.028 0 50 GDAA CC(C)[C@H]1CN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@@H]1NC(=O)N(C)C 1565516456 AUTHHUCGPCIIAD-QAPCUYQASA-N 375.517 1.975 0 50 GDAA Cn1ccnc(N2CCC[C@@H](NC(=O)Nc3ccc4c(c3)CCCO4)C2)c1=O 275677660 LVUTUEYQXLYVOO-MRXNPFEDSA-N 383.452 1.896 0 50 GDAA O=C(NC[C@@H]1COc2ccccc2O1)c1nn(-c2cccc(F)c2)ccc1=O 170624636 UTRAMMUAAHLFNY-OAHLLOKOSA-N 381.363 1.941 0 50 GDAA COC(=O)c1scc(C)c1S(=O)(=O)NCCCOC[C@@H]1CCCO1 170604001 HVNCLOBWNGZSTB-LBPRGKRZSA-N 377.484 1.707 0 50 GDAA O=C(Nc1cc(F)c(F)cc1I)N1C[C@H](O)[C@H](O)C1 278184428 SSHUONBPWDMIQA-AOOOYVTPSA-N 384.120 1.139 0 50 GDAA CCc1nnc(CN2CCC(CNC(=O)Cn3nc4ccccc4n3)CC2)o1 1506422551 CRMPMULYCFJILT-UHFFFAOYSA-N 383.456 1.405 0 50 GDAA O=C(c1ccc2c(c1)OCCO2)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704344950 QXRYYUKQDUCEHD-SIKLNZKXSA-N 397.427 1.978 0 50 GDAA CCc1ccccc1NC(=O)N1C[C@@H]2CN(Cc3ncnn3CC)C[C@@]2(CO)C1 1772809971 BFODXKZSYVNJHC-UWJYYQICSA-N 398.511 1.819 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)cc1 12212911 LVTNNNGWTGXJTF-UXHICEINSA-N 394.454 1.987 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1)c1ccc(F)cc1 12481464 NZLIMRFHDIYWDE-HNNXBMFYSA-N 375.444 1.807 0 50 GDAA O=C1CN(C(=O)c2cncs2)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14751180 KHGWWHSKTUJCCD-INIZCTEOSA-N 386.477 1.818 0 50 GDAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1 19535007 QDQSPYVBENYUFW-UHFFFAOYSA-N 399.211 1.421 0 50 GDAA CC(C)c1nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2o1 19791290 HVIQSQKXMFNFAT-HNNXBMFYSA-N 391.493 1.896 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2ccc(OCC)cc2)S(=O)(=O)N=C1C 169771876 NRSISSQSDYSVKZ-UHFFFAOYSA-N 395.437 1.492 0 50 GDAA Cc1cc(=O)cc(C(=O)N[C@@H]2CCC[C@@H](NS(=O)(=O)C3CCOCC3)C2)o1 1857675245 PDZBKSNFXQKXHM-ZIAGYGMSSA-N 398.481 1.088 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CCN1c1ccc(F)cn1 1857678357 DYLXQKBHXSWHAU-LLVKDONJSA-N 391.428 1.702 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cc(N4CCOCC4)no3)C1)CC2 1857704980 NFQLSEGBDVTYKX-FQEVSTJZSA-N 399.451 1.435 0 50 GDAA CN(c1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1)S(C)(=O)=O 1857736775 VIMHZBGXAIZPCI-RYQLBKOJSA-N 393.509 1.064 0 50 GDAA O=C1CCCCCN1CCC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210129521 BKPXBEHSQNVRJY-SJORKVTESA-N 388.464 1.885 0 50 GDAA COc1ccccc1OC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 230036225 SMODGVULMPNJEB-DRXUAVOGSA-N 380.393 1.997 0 50 GDAA biogenic O=C1N[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@H]2N1C1CCNCC1 333648667 JLWGLECYQNYTQP-HZPDHXFCSA-N 398.916 1.249 0 50 GDAA O=C(O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 238160164 CBBDAUJHLZKIFU-UHFFFAOYSA-N 386.779 1.750 0 50 GDAA Cc1cnc(CCCC(=O)N2CC3(CN(C)C[C@H]3c3ccnc(N(C)C)n3)C2)o1 1875395599 GHGXPIAOFCAMCQ-INIZCTEOSA-N 398.511 1.720 0 50 GDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@H](C(C)C)N1CCCC1=O)CCO2 1875395737 KLIJRNRNLUABJX-NLXPRHHISA-N 399.557 1.513 0 50 GDAA C[C@H](Cc1cn(-c2cncc(C(=O)O)c2)nn1)N(C)C(=O)CCc1ccncc1 1875356331 UCTMPDNKOLBYLO-CQSZACIVSA-N 394.435 1.778 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc1 887557187 AKFIZPNDNGGQCC-RDTXWAMCSA-N 386.452 1.406 0 50 GDAA Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 897486046 NGQKCOIQLIQGLW-PKOBYXMFSA-N 381.480 1.315 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCc2cc(C)[nH]n2)CC[C@H]1N=c1cnc2ccccc2[nH]1 2100482312 QBMUFMSDCIWNFB-GDIGMMSISA-N 394.479 1.995 0 50 GDAA Cc1cc(NC(=O)Cn2cc([C@@H]3CCN(C)C3)nn2)n(-c2ccccc2F)n1 2325772623 HNIZGOSSNMUPHS-CQSZACIVSA-N 383.431 1.969 0 50 GDAA CC(=O)N1CCOC2(CCS(=O)(=NC(=O)[C@@H](C)n3cc(C)cn3)CC2)C1 2325775941 KNPGSCUVSKHVFM-CPDMNFEZSA-N 382.486 1.158 0 50 GDAA CCS(=O)(=O)N1CCC[C@H]1CN1C(=O)CCN(C[C@@H]2CC23CCC3)C1=O 2325793326 QAKJLOFAXKRBMD-GJZGRUSLSA-N 383.514 1.645 0 50 GDAA COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc(OC)c1 731724 JBIYLFIWHBEIGK-UHFFFAOYSA-N 386.437 1.802 0 50 GDAA COC(=O)C[C@@H](C)N1CCN(C(=O)/C=C/c2cc(OC)cc(OC)c2)CC1 225439475 CUPHPUZGEKNHLX-LLYBFZRZSA-N 376.453 1.813 0 50 GDAA CCCCCS(=O)(=O)CC(=O)Nc1ccc(OCC(=O)NC(N)=O)cc1C 225496864 VBZHWWWWUVJBNO-UHFFFAOYSA-N 399.469 1.112 0 50 GDAA COCCCn1c(CN(C)C[C@H]2Cc3ccccc3O2)cnc1S(C)(=O)=O 20452345 YBIRVAOLOOBSEO-QGZVFWFLSA-N 393.509 1.759 0 50 GDAA O[C@H]1CCN(Cc2cn(C3CCN(Cc4cc(F)ccc4F)CC3)nn2)C1 20917082 MCQMXQUKTLVGQY-SFHVURJKSA-N 377.439 1.960 0 50 GDAA C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)C[C@@H](C)O1 248761846 MFLNCKOMJHGENB-FLXSYLCISA-N 399.557 1.311 0 50 GDAA C[C@H](c1ccncn1)N(C)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67688697 YADPLOFYEMLUMF-SECBINFHSA-N 382.467 1.264 0 50 GDAA CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc3[nH]ccc3c1)C2 67541202 YTSURSABLLKGMD-UHFFFAOYSA-N 380.452 1.312 0 50 GDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@H](Cc1cnc[nH]1)n1cccc1)CC2 65527576 ATHAEZJOHHZLLU-SFHVURJKSA-N 380.452 1.025 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C1CCOCC1 12575945 XMQPYEMJSKVCCK-SFHVURJKSA-N 389.496 1.413 0 50 GDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)NCCN(C)C)[C@H](c2ccc(OC)cc2)N1C 67605450 SLEIMBLEWKCUBD-ZWOKBUDYSA-N 377.485 1.599 0 50 GDAA O=C(c1ccc(NCC2(CO)CCC2)nc1)N1CCC(N2CCOCC2)CC1 67894620 PZHGALFGQGKKOV-UHFFFAOYSA-N 388.512 1.593 0 50 GDAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2=O)c1 72157229 DVPGPNAFIIKTKH-FQEVSTJZSA-N 382.468 1.413 0 50 GDAA COc1ccc(S(=O)(=O)N2CCc3c(ncnc3N(C)C)C2)c(OC)c1 71750715 PGLYSJDBJSWFDC-UHFFFAOYSA-N 378.454 1.307 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC1CCOCC1 72142180 ATIPEVXOZDMLOM-QGZVFWFLSA-N 375.469 1.071 0 50 GDAA CC(C)=CCN1CCN(Cc2ccnc(C(C)C)n2)[C@H]2CS(=O)(=O)C[C@H]21 72453804 XTCQLWGZTQPVEK-MSOLQXFVSA-N 378.542 1.849 0 50 GDAA COc1cccc(C[C@H]2CN(C(=O)c3ccnc(-n4cnnc4)c3)CCO2)c1 71385610 GMRQGPXOUMXZHN-SFHVURJKSA-N 379.420 1.755 0 50 GDAA C[C@H](NC(=O)[C@H]1CCCc2sccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 333492499 USDDFUFKUCQKTJ-SCRDCRAPSA-N 384.523 1.224 0 50 GDAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CC2(CCNCC2)CN1 72147308 CBRRENZIBBIODA-IBGZPJMESA-N 384.524 1.661 0 50 GDAA O=C([C@@H]1CCCN1C(=O)C1CCCC1)N1CC[C@H](Nc2ccc3nccn3n2)C1 333681822 FIFJGCCBUBHLLS-IRXDYDNUSA-N 396.495 1.923 0 50 GDAA Cc1c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)nnn1C1CCNCC1 237748052 QDEOIJVGMLCSBF-UHFFFAOYSA-N 389.891 1.522 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ncoc3C)CC2)C1 71750783 MLIJCXXRIGKYRK-HNNXBMFYSA-N 378.473 1.062 0 50 GDAA CCn1cc(CN(C)C(=O)C[C@H]2COCCN2C(=O)N2CCCCC2)cn1 72409176 OUSBMTVTIBYUPS-KRWDZBQOSA-N 377.489 1.558 0 50 GDAA O=C(O)CNS(=O)(=O)c1scc(Br)c1Br 380098334 KYVNQKREGKJFIW-UHFFFAOYSA-N 379.051 1.636 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)N[C@H](CC(=O)O)C(C)C)CC2)cc1 426488310 SFYGDQMFUIXWSA-MRXNPFEDSA-N 377.441 1.662 0 50 GDAA NCCOc1ccc(CC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 426496601 ACJCNZPROKUNDT-LJQANCHMSA-N 381.476 1.988 0 50 GDAA CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O 328579009 HKQZUYOVMYOFIT-WZCYVEINSA-N 377.525 1.251 0 50 GDAA Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c(C)o1 91768952 SVSDOWXVEFBRSU-AEFFLSMTSA-N 377.485 1.839 0 50 GDAA COCCN1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)C1=O 95365253 KDVHRVIYDRZCMD-IBGZPJMESA-N 375.425 1.908 0 50 GDAA CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1 91725084 GQJRHZKSZOPPEC-UHFFFAOYSA-N 378.904 1.834 0 50 GDAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(C(N)=O)c2C1 91380736 OMQMAPUGTRKIMI-OLZOCXBDSA-N 375.473 1.116 0 50 GDAA Nc1nc(CCCNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cs1 95384099 MSQKHUMBNVTPHV-UHFFFAOYSA-N 380.495 1.529 0 50 GDAA Cc1ncsc1CCNC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C 95353802 RMVGTULPVLTECB-AWEZNQCLSA-N 385.493 1.882 0 50 GDAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c1Cl 91876733 NVGZBWDAFNRQJL-UONOGXRCSA-N 377.872 1.800 0 50 GDAA CCCN1CCN(Cc2cccc(N3CCOCC3)c2)[C@H]2CS(=O)(=O)C[C@H]21 95527931 MTACDHCTRFHASF-UXHICEINSA-N 393.553 1.216 0 50 GDAA CSc1ncccc1C(=O)N1CCC2(CC1)[C@@H](OCCN(C)C)C[C@H]2O 92003067 HXBLMZRBUYARPS-CVEARBPZSA-N 379.526 1.737 0 50 GDAA NC(=O)c1ccc(NC(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)cc1 252523051 BSQVFAJDMXOWCC-QGZVFWFLSA-N 394.431 1.872 0 50 GDAA Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H](c2nnc(Cn3cccn3)n2C)C1 252527906 DPZIDYPFGUTMFO-GASCZTMLSA-N 383.456 1.660 0 50 GDAA COCCCn1cnnc1CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 824396369 KOGNMCNVMSTZQP-QGZVFWFLSA-N 385.468 1.626 0 50 GDAA O=C(NCc1nc(-c2ccc(F)cc2)no1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 584885743 HORWATMQPMHQMT-IKARSPCKSA-N 376.388 1.149 0 50 GDAA O=C([C@H]1CCOC1)N1CCC2(CC1)CN(Cc1cn3ccccc3n1)CCO2 952988924 FIIAXLRTQHHGMT-KRWDZBQOSA-N 384.480 1.564 0 50 GDAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(C3CCCC3)CC2)cc1 952962210 BYBFKXZONHIIBB-UHFFFAOYSA-N 386.539 1.729 0 50 GDAA O=C(NCc1nc(-c2ccccc2Cl)no1)NC[C@H]1CCS(=O)(=O)C1 952981988 KVTJTJBNHZRPKP-SNVBAGLBSA-N 384.845 1.624 0 50 GDAA CN1[C@H](c2ccccc2F)[C@H](C(=O)NCC2(CO)CCCC2)C[C@@H]1C(=O)O 1565512361 ZDOBNJVTNJXHRF-DJIMGWMZSA-N 378.444 1.941 0 50 GDAA Cc1cc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc(-c2cccnc2)n1 301426714 PECYUVPKHJSPGE-UHFFFAOYSA-N 379.424 1.646 0 50 GDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(C)c1F 408444066 QRIANOVOUUBVDN-ZIAGYGMSSA-N 378.491 1.581 0 50 GDAA C[C@H](O)[C@](C)(CNC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1 170611672 BJKIBFKWGQBTPA-BTYIYWSLSA-N 380.448 1.538 0 50 GDAA CCN(C)C[C@@H]1CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1 185634182 JUPORVCMILRAFS-KRWDZBQOSA-N 394.541 1.710 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c(O)cccc2F)CC1 274624968 UCYNTTXSDZYTKN-UHFFFAOYSA-N 383.401 1.283 0 50 GDAA CC[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CCN1CCOC 187240303 SGROOHABRQAOTL-QGZVFWFLSA-N 390.509 1.875 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3cnc4c(c3)c(C)nn4C)CCO2)cn1 189232146 FQEGWYUMAJUAOX-INIZCTEOSA-N 390.469 1.255 0 50 GDAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506406215 FHPVTOIJTUUWGD-UHFFFAOYSA-N 379.438 1.794 0 50 GDAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772701801 BNRWLMSINPMUIC-BZNIZROVSA-N 381.410 1.090 0 50 GDAA CN(CCO)C(=O)c1cn(C2CCN(Cc3ccccc3Cl)CC2)nn1 11982838 GZWALZLVJHIEME-UHFFFAOYSA-N 377.876 1.833 0 50 GDAA Cc1cnc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cn1 12593763 XYIAREUCFBIXCP-IBGZPJMESA-N 376.407 1.707 0 50 GDAA O=C1C(Cl)=C(NCCCN2CCOCC2)C(=O)N1CCc1ccccc1 19792835 KDWCVCUMLARRTJ-UHFFFAOYSA-N 377.872 1.360 0 50 GDAA Cn1nc(-c2cc3c(s2)C2(CCNCC2)OCC3)nc1N1CCOCC1 1857719945 ZRSQKTNGFYMEMJ-UHFFFAOYSA-N 375.498 1.532 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CC[C@H](C1)[C@H]2NS(=O)(=O)c1ccc(F)c(F)c1 1857685986 CWUJHSLPTLKFQZ-IVWMJMPLSA-N 396.463 1.887 0 50 GDAA CCCn1cnnc1CNC(=O)[C@]12COC[C@H]1CN(Cc1c(C)noc1C)C2 1857687987 OHVBZCJKUNVSJQ-DNVCBOLYSA-N 388.472 1.058 0 50 GDAA Cn1cccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857700377 GIRCLQLFWRDALH-NRFANRHFSA-N 397.479 1.478 0 50 GDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(c3cnc(C)c(C)n3)C[C@]23CC[C@H]1O3 1857715645 BAJLKLBUNDIFDT-BVIKNXMNSA-N 380.514 1.407 0 50 GDAA CC(C)c1nnc(N2C[C@H](C(=O)N3CCC4(CCN(C)C4)CC3)CC2=O)s1 1857720882 PGHAAWJSFIWDCQ-CQSZACIVSA-N 391.541 1.959 0 50 GDAA Cn1nccc1CCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857727751 YTKUXPXZQBWPCP-OPYAIIAOSA-N 380.448 1.654 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)Cc2cn(C)c3ccccc23)[C@H]1c1cnn(C)c1 1857733148 XFODIYUUYJTBQD-UNMCSNQZSA-N 395.507 1.985 0 50 GDAA O=C1N[C@@H]2COC[C@H]1CN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2 1875249521 YRMCSLFZJPXLPR-AEFFLSMTSA-N 392.931 1.299 0 50 GDAA COCCCn1c(C(=O)N2CCOCC2)cc2c(=O)n3cccc(C)c3nc21 5204663 JWBQBIQSVQTLHN-UHFFFAOYSA-N 384.436 1.467 0 50 GDAA Cc1cc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)sc1C(=O)O 237789086 SXFFOLONYXVQNH-VIFPVBQESA-N 386.417 1.917 0 50 GDAA O=C(CN1CCN(C[C@@H]2CC3(CCNCC3)CO2)CC1)NCc1ccccc1 903734059 UIDAXQVUNIZUSY-FQEVSTJZSA-N 386.540 1.079 0 50 GDAA CCC(CC)(NC(=O)[C@@H](OC)C1CCOCC1)c1cn(CCCC(=O)O)nn1 1875355557 MUURHUJJRHHRGI-KRWDZBQOSA-N 396.488 1.716 0 50 GDAA CCN(C(=O)c1cncc(N2CCCC2)n1)[C@H]1CCN(C(=O)c2cc(C)no2)C1 1875309169 VUKAZIHTRZZHLG-HNNXBMFYSA-N 398.467 1.750 0 50 GDAA C[C@@H]1COC[C@@](CO)(CN=c2ccc(-n3ccnc3)n[nH]2)N1Cc1ccccc1 1875392714 POBIERUMEZDVEW-UTKZUKDTSA-N 394.479 1.148 0 50 GDAA CO[C@@H]1CN(c2ccnc(NCc3cc4c(nc3O)CCC4)n2)C[C@@H]1N(C)C 1875398607 YEWZQGXWFLVDOQ-DLBZAZTESA-N 384.484 1.443 0 50 GDAA NC[C@H]1C[C@@H](O)CN1c1cc(N2CCC(n3ncc4ccccc43)CC2)ncn1 1875396794 BVEUZCUNJKMFRJ-QZTJIDSGSA-N 393.495 1.566 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)Cc1cnn(-c2ccccc2)c1 1875313642 VGIJVWAHZYXPJE-UHFFFAOYSA-N 386.433 1.714 0 50 GDAA CCc1ccc(CNC(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cc1 1875393941 VEKXMIBUISQDTK-QGZVFWFLSA-N 376.482 1.158 0 50 GDAA CN(C)S(=O)(=O)N1CCCC[C@@H]1c1n[nH]cc1I 1875339901 CCXVXMPFEUBDLU-SECBINFHSA-N 384.243 1.348 0 50 GDAA N[C@@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)[C@@H]1CCCO1 888093081 KLHLYMTYVKKTJN-PZJWPPBQSA-N 395.507 1.849 0 50 GDAA COCCN(c1ncnc2c1ncn2CC1(CO)COC1)[C@@H]1CC[C@@H](C)C1 888097184 DJMTTZLQEHTXQD-HUUCEWRRSA-N 375.473 1.477 0 50 GDAA CC(C)[C@H](C)CC(=O)N1CCO[C@@](C)(CNC(=O)CNC(=O)N2CCCC2)C1 1775990420 AXPAIHANLSDNGU-UZLBHIALSA-N 396.532 1.208 0 50 GDAA CCCn1nccc1C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2(C)CC2)C1 1775962860 PCWDRPPOMPHAEW-HZPDHXFCSA-N 398.511 1.799 0 50 GDAA O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 4333182 SBGJTNORRXFPGQ-SNVBAGLBSA-N 377.285 1.241 0 50 GDAA Cc1nc(C)n(CCCC(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)n1 2325785652 HMNVVCCIKNSCDQ-FVQBIDKESA-N 380.880 1.481 0 50 GDAA O=C(N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1)[C@H]1COCCN1C1CCCC1 2325796772 KFSIITQEAIPUCM-KURKYZTESA-N 382.888 1.494 0 50 GDAA CN1CCN(C(=O)Cc2ccc(NCc3cccc4c3nnn4C)cc2)CC1 2325806124 WTHPMXBNNKXGQX-UHFFFAOYSA-N 378.480 1.897 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)CC1 2325884144 OOOKVONITSSZPI-UHFFFAOYSA-N 383.492 1.633 0 50 GDAA Cc1cc(C)n(CCNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n1 2356157166 CNTBVVHHRHNXPQ-CDMIOBSGSA-N 393.491 1.948 0 50 GDAA COc1cc(Br)cc([C@H]2NC(=S)NC(C)=C2C(N)=O)c1OC 2480148 QMHIWSCWXXLVIY-LLVKDONJSA-N 386.271 1.744 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 6697110 RBWMOOCVIQQZDK-UHFFFAOYSA-N 389.477 1.566 0 50 GDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6741188 QTWORYRHCUOBGF-HOTGVXAUSA-N 398.456 1.550 0 50 GDAA CCCCN1CCOC[C@@H]1C(=O)NCCN1CCN(Cc2ccccc2)CC1 225385054 BWUNNGKXCANPHC-OAQYLSRUSA-N 388.556 1.421 0 50 GDAA COc1cccc(N2C(=O)C[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c1 20653810 JOKFWNZCDSCSDV-MRXNPFEDSA-N 389.452 1.880 0 50 GDAA CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1 20485796 IUWSWIYUIGNTEF-LJQANCHMSA-N 382.464 1.772 0 50 GDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@@H](Cc1cnc[nH]1)n1cccc1)CC2 65527575 ATHAEZJOHHZLLU-GOSISDBHSA-N 380.452 1.025 0 50 GDAA CN(C)C(=O)CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72130825 XBTSCDWDINCYMY-SFHVURJKSA-N 388.512 1.086 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCn4cncc4C2)[C@H]3C1=O 77389049 AXALJCQBMVXJII-WEMPKCCASA-N 398.507 1.834 0 50 GDAA Cc1cnc(N[C@@H]2CC(=O)N3CCCC[C@H]23)nc1N[C@@H]1CC(=O)N2CCCC[C@@H]12 328789908 LDICZUCWGDVAQP-WCXIOVBPSA-N 398.511 1.916 0 50 GDAA NC(=O)[C@@H]1CCN(CCOc2ccc(S(N)(=O)=O)cc2)c2ccccc21 362165744 OHIJTYHVQIUWPC-MRXNPFEDSA-N 375.450 1.192 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Cn1cnnc1O)CC2 333377738 WWFAJALONYPMNJ-OAHLLOKOSA-N 389.481 1.475 0 50 GDAA Cc1ccccc1CN(CCO)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 215409408 DBMZYONXKMKNLA-UHFFFAOYSA-N 376.478 1.880 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1 262361703 IXINEOZIWUYMDM-JQWIXIFHSA-N 376.306 1.869 0 50 GDAA Cc1ccccc1C(=O)N1CCC(C(=O)NCCc2nc(O)cc(O)n2)CC1 219622422 PXAIUGIHBFRYOP-UHFFFAOYSA-N 384.436 1.407 0 50 GDAA CN(Cc1ccon1)S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1 215515938 PMIYWNJNAHERRY-UHFFFAOYSA-N 376.394 1.413 0 50 GDAA CCc1c(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)cnn1Cc1ccccc1 175331267 KGHSGHYEORNRRT-SFHVURJKSA-N 384.480 1.861 0 50 GDAA CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 177513309 WHQQUBBWWZJREO-SFHVURJKSA-N 379.526 1.232 0 50 GDAA Cc1nc(SCCNC(=O)N2CCCN(Cc3cccnc3)CC2)n[nH]1 426399465 WCTIUYOGRBQTIJ-UHFFFAOYSA-N 375.502 1.518 0 50 GDAA Cc1cnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1F 292827452 QGLIGQDJXHXWAH-OAHLLOKOSA-N 390.484 1.900 0 50 GDAA CC(C)(O)CN1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 179761162 PEYUIRWCNUJIJN-UHFFFAOYSA-N 375.517 1.396 0 50 GDAA C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nc(-c2ccccn2)no1 95386112 JEKBULKGDATEBI-SECBINFHSA-N 391.384 1.409 0 50 GDAA CN(CCc1ccccn1)C(=O)CN1C(=O)N(C)C(=O)[C@]1(C)c1ccccc1 96027840 QPEHEHAGYMLKJT-NRFANRHFSA-N 380.448 1.892 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)CC1=O 293865005 CGXYLKMWCHJTGR-FQEVSTJZSA-N 399.535 1.996 0 50 GDAA NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cccc3)cc2)CC1 91656334 LUBJAEPIZOMTMA-UHFFFAOYSA-N 376.482 1.030 0 50 GDAA Cc1cccnc1CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2)c1 97492596 VVGDJBRVXYJOKQ-MRXNPFEDSA-N 388.493 1.350 0 50 GDAA CC(=O)N1CCN(Cc2cc(-c3ccc(C)cc3)no2)[C@H]2CS(=O)(=O)C[C@H]21 95529669 BIYHBOHMYRHVAZ-RBUKOAKNSA-N 389.477 1.480 0 50 GDAA COc1cc(OC)nc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95389040 HSWSGBOZASGWDV-ZDUSSCGKSA-N 384.444 1.251 0 50 GDAA COCCN1C[C@@H](Cc2ccc3ncnc(N4CCN(C)CC4)c3c2)CC1=O 244691822 JJWCDKPBBRSXGO-KRWDZBQOSA-N 383.496 1.419 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(-c2ccccc2)[nH]1 253405754 ILGVSOSYLFLCBN-CQSZACIVSA-N 376.376 1.551 0 50 GDAA biogenic CC(C)N=c1cc(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)nc(N)[nH]1 534665523 QKQIQCGHPBDWHW-UHFFFAOYSA-N 382.468 1.496 0 50 GDAA CSCc1noc(CNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1 534585925 OCVNSKGKKWFUBA-LBPRGKRZSA-N 381.502 1.865 0 50 GDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cn2ccsc2n1 670450094 OMAYRTONXKMBTM-GFBDMGBSSA-N 393.516 1.693 0 50 GDAA COc1cccc(CC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 670459589 JIXUWNOEIPWOGD-JWLIYLPMSA-N 391.515 1.922 0 50 GDAA O=C(NCC1CCN(CCN2CCOCC2)CC1)c1cnc2ccccc2n1 952973399 NQKSNUKNBVRLDT-UHFFFAOYSA-N 383.496 1.404 0 50 GDAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)n1 952970543 TWFSXKCQDQRCDJ-INIZCTEOSA-N 395.467 1.211 0 50 GDAA O=C(NCc1cccc(N2CCCS2(=O)=O)c1)N1CCN2CCCC[C@@H]2C1 185634981 FFSQHEGBJOCTQY-GOSISDBHSA-N 392.525 1.606 0 50 GDAA O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H](N2CCNCC2=O)C1 186716119 REKAEVKZQXRDDH-CYBMUJFWSA-N 389.481 1.154 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cc1 1506408307 XELKQAOHTNZAJB-GOSISDBHSA-N 389.477 1.576 0 50 GDAA O=C(NC[C@H]1CCC2(CCN(C(=O)CCc3cn[nH]c3)CC2)O1)c1ccco1 1506420179 XEFLAIHUMGTLIY-MRXNPFEDSA-N 386.452 1.906 0 50 GDAA O=C(NCCOc1ccccc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529186502 GMLQGHYZUDKRNZ-UXHICEINSA-N 381.432 1.708 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCCc2nc(N)n[nH]2)cc1 1704310793 SSUZYYMABMRXLO-UHFFFAOYSA-N 397.439 1.623 0 50 GDAA CCN(CCn1cccn1)C(=O)CCCn1nnnc1CN1CCC(C)CC1 11838625 SHGZWRYOZCODMU-UHFFFAOYSA-N 388.520 1.430 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)o1 12024040 ZIJMJFXUKFHKOI-HNNXBMFYSA-N 377.441 1.206 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009202 WRURUYDLWBHIKM-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA CSC[C@H](C)N1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCC(C)C 14746645 NMVUIGVIFRSIPZ-AWEZNQCLSA-N 384.546 1.368 0 50 GDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 15079622 GHYKXQCGAYLKLU-KRWDZBQOSA-N 390.532 1.485 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCCc2cnc[nH]2)CC[C@@H]1NC(=O)c1csc(C)n1 1857691096 YXOBPBRBVABIBU-NOLJZWGESA-N 391.497 1.447 0 50 GDAA Cc1nc2c(c(=NCCn3cccn3)[nH]1)CCC21CCN(C(=O)C2CC2)CC1 1857691658 VBCQGVGTFAQGIM-UHFFFAOYSA-N 380.496 1.732 0 50 GDAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1cnn(C)c1C)CCO2 1857695944 FUBVLLPRXXRYRD-UHFFFAOYSA-N 377.489 1.432 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1O)c1cc2ccccc2s1 1875244846 WZEIPPJGQIXAPH-YNEHKIRRSA-N 385.449 1.205 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cc(C)on2)CC[C@@H]1NC(=O)CN(C)C 1875250158 BVMCSCRODFDLLB-XIRDDKMYSA-N 380.489 1.241 0 50 GDAA Cn1nc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C1CC1 460715165 LBCKPYKSOBFVFG-UHFFFAOYSA-N 395.463 1.887 0 50 GDAA CS(=O)(=O)N1CC[C@@]2(O)CCN(Cc3cc(F)ccc3Cl)C[C@H]2C1 247540939 SEOFJCBZMBIXLT-BBRMVZONSA-N 376.881 1.697 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1ccco1)N1CC[C@@H](CN2CCOCC2)C1 266194425 FWHJQUBPWYFLIK-IRXDYDNUSA-N 375.469 1.455 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N=[S@]2(=O)CCCC3(C2)OCCO3)cc1 1875370179 FDVQFACTKQQZBA-SANMLTNESA-N 378.450 1.634 0 50 GDAA COC(=O)c1n[nH]c(C2CN(C(=O)[C@H]3C[C@H]3F)C2)c1I 1875339449 JXSPNCZGNICZQJ-NKWVEPMBSA-N 393.156 1.085 0 50 GDAA CC[C@H](CC(F)F)C(=O)N1CCOC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 1775992011 NVKLIHNYRHHMCF-ZIAGYGMSSA-N 398.454 1.858 0 50 GDAA CC(C)CCN1C(=O)[C@@]2(CCN(C(=O)CCn3cnnn3)C2)c2ccccc21 2100547185 CVFCFYUVTVTTKQ-HXUWFJFHSA-N 382.468 1.626 0 50 GDAA O=C(N[C@@H](CNC(=O)[C@@H]1CCNC1=O)c1ccccc1)c1onc2ccccc12 2325860779 UCOZPJAPJJHEOG-WBVHZDCISA-N 392.415 1.551 0 50 GDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H](C)N)C3)[C@@H]3CCCC(=O)N23)c1 2356145809 JGHZOMNOAMBTNP-QMALUCSJSA-N 385.508 1.813 0 50 GDAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1Cl 4413988 NDQOWKFVCGHBFB-NSHDSACASA-N 383.857 1.727 0 50 GDAA O=c1[nH]nc(C2CCN(S(=O)(=O)N3CCCC3)CC2)n1-c1ccccc1 67868176 BXSZBYANXZGZLU-UHFFFAOYSA-N 377.470 1.081 0 50 GDAA NCC1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1 67884606 BMZBKLADDVBERV-UHFFFAOYSA-N 387.528 1.194 0 50 GDAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2N2CCOCC2)cc1 61110089 AUECGJMGPSDYER-UHFFFAOYSA-N 389.477 1.143 0 50 GDAA Cn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1C(N)=O 2774831 CJUUMXKPMSWEFV-UHFFFAOYSA-N 390.753 1.904 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1 72434162 VWQTUYPZOSWVFU-OAHLLOKOSA-N 395.525 1.306 0 50 GDAA CC(C)c1nccc(NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1 328604799 LBDWOGQDJRDEKJ-HNNXBMFYSA-N 384.484 1.943 0 50 GDAA CC(C)c1ocnc1CN([C@@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O 328612049 NQEWARLHAJBPOY-CQSZACIVSA-N 395.485 1.489 0 50 GDAA O=C(CN1CCN(c2ccc(F)cn2)CC1)N1CCN(Cc2ccco2)CC1 367748531 INNYTZZDOJUWBB-UHFFFAOYSA-N 387.459 1.280 0 50 GDAA CN(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)nc1 368638368 NOHWMOLVCQGVPY-BEFAXECRSA-N 382.468 1.962 0 50 GDAA O=S(=O)(N[C@H]1CCCN(Cc2ccccn2)C1)N1CCc2ccccc2C1 72157141 GLURJDTXUUJBHN-FQEVSTJZSA-N 386.521 1.939 0 50 GDAA CCN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 72129514 MGWQMYIKCBUKNL-HNNXBMFYSA-N 375.498 1.221 0 50 GDAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3cnc4c(c3)nnn4C)CC[C@H]21 72408347 WYKSWTOZSRCYRP-WMLDXEAASA-N 384.484 1.863 0 50 GDAA CCCCc1nn(CC(=O)N2CC[C@@H](COC)C2)c(=O)n1Cc1ccccc1 77284889 WVLGKPBXRLKXMQ-GOSISDBHSA-N 386.496 1.931 0 50 GDAA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cn(C2CCNCC2)nn1 238012170 IFNPWQYINLMODZ-AWEZNQCLSA-N 384.267 1.973 0 50 GDAA CCc1[nH]c(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(C)c1C(=O)OC 375469912 NGSHYPDTCBMXTL-RKDXNWHRSA-N 375.347 1.408 0 50 GDAA Cc1nnc(SCCCNC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)s1 426705929 WTARXZWEAXZUPF-UHFFFAOYSA-N 380.499 1.456 0 50 GDAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O 290280870 YATZNGBQPYMYGG-IHPCNDPISA-N 385.508 1.919 0 50 GDAA COc1ccccc1OCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 334162086 NYVCWXINWLGFQB-MRXNPFEDSA-N 397.431 1.721 0 50 GDAA O=C(c1cccc(F)c1F)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96152803 GUNVMUTWFCBUDK-CWTRNNRKSA-N 378.375 1.750 0 50 GDAA COc1ccc(NC(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)cc1 97515159 CWGJDSKRRHJTKM-UHFFFAOYSA-N 381.498 1.858 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnc(C)nc2)CC1 96133688 PIVDCEMYKMWOBV-LJQANCHMSA-N 376.501 1.765 0 50 GDAA Cc1noc(C)c1CN1CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CC1=O 95375249 GQEYHGMKSQSQFN-UHFFFAOYSA-N 384.436 1.635 0 50 GDAA Cn1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ccc1=O 95524868 OZKOVLPKTJLDCE-UHFFFAOYSA-N 395.463 1.035 0 50 GDAA CCN1CC[C@]2(CCC1=O)CN(Cc1cccc(OCC(N)=O)c1)CCN2C 95389459 ZPNIXBYYSGCHII-OAQYLSRUSA-N 388.512 1.069 0 50 GDAA CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2=O)C1 245241834 QNYPAFYQXYGBIR-CJNGLKHVSA-N 390.436 1.611 0 50 GDAA CC(=O)N1CCC2(CC1)CN(C(=O)c1cn(C)c3ccccc3c1=O)CCO2 820569553 ZJWRVHYNUNBUGT-UHFFFAOYSA-N 383.448 1.392 0 50 GDAA Cn1cncc1C(=O)NCC1CCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1 827693703 GRSITNSQSRUKEQ-HNNXBMFYSA-N 388.468 1.264 0 50 GDAA Cc1cc(C)n(CCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2C)c(=O)n1 827752811 NZTPFUBHVYXNDT-GOSISDBHSA-N 398.463 1.716 0 50 GDAA Cc1cccc2nc(CN(C)S(=O)(=O)c3ccc(OCC(N)=O)cc3)[nH]c12 952869904 OWVPAHMXPLVLPW-UHFFFAOYSA-N 388.449 1.556 0 50 GDAA Cc1cnn(CCC(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c(C)c3Cl)C2)c1 952981919 KTZUFWXFURALQL-CQSZACIVSA-N 392.891 1.935 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cnc3ccccn3c2=O)n1 952989727 XZLHICITILCKMX-UHFFFAOYSA-N 377.326 1.784 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)c3ccc4c(c3)OCCO4)[C@@H](O)C2)cs1 1565511371 WJLMNSLHOUHEAD-HOTGVXAUSA-N 389.477 1.588 0 50 GDAA Nc1nc(N)nc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 730662931 ZHNZZZNHMRPYJL-UHFFFAOYSA-N 381.274 1.462 0 50 GDAA COc1cccc([C@@H](O)C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1 772807447 QPPUYTLCECBWHK-LJQANCHMSA-N 383.448 1.792 0 50 GDAA O=C(NC[C@H]1CCC2(CCN(CCN3CCCC3=O)CC2)O1)c1ccco1 1506426882 VQQZVQVILURPFK-MRXNPFEDSA-N 375.469 1.645 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1c(F)cccc1Cl 1704300297 XHIDXZZBZIVUPB-HZMBPMFUSA-N 378.853 1.044 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1OC 1704299863 MEBJKCXBOOHRAB-ZBFHGGJFSA-N 378.450 1.635 0 50 GDAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1772807947 DAHLPTFDUDLROW-DTJSUFBGSA-N 399.516 1.900 0 50 GDAA Cc1cc(C)cc(CN2CCN(C(=O)[C@H]3CCC(=O)N(C4CC4)C3)CC2=O)c1 11753763 UYKTZYLPNXQTCT-SFHVURJKSA-N 383.492 1.875 0 50 GDAA CN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 11944879 KMKMVAKSKFVUJS-LJQANCHMSA-N 383.496 1.202 0 50 GDAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cn2cnnn2)C1 12714159 UVXQJECZILCTOQ-SFHVURJKSA-N 391.859 1.741 0 50 GDAA CC(=O)N1CCC(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)CC1 169780212 OATAMSBGWYWMNC-UHFFFAOYSA-N 385.468 1.298 0 50 GDAA CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 166346115 NXGXFAKJUWEFEC-VEYVBMQYSA-N 399.443 1.908 0 50 GDAA biogenic CCc1ccc(O)c(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 153261113 AKKUPXPLCDWVLK-UHFFFAOYSA-N 380.388 1.998 0 50 GDAA Cc1nc2c(N3CC[C@H](O)[C@H](NC(=O)CCOc4ccccc4)C3)ncnc2o1 1857697055 STDMBDSRWZVEEC-CVEARBPZSA-N 397.435 1.451 0 50 GDAA Cc1cc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)Cn4cccn4)C3)C2)cc(C)n1 1857706701 NRXPGCNPTFIUKX-TZIWHRDSSA-N 383.496 1.775 0 50 GDAA CC[C@@H](C)CN1CC2(CCN(C(=O)CN3CCOC3=O)CC2)OCCC1=O 1857716653 OHNJLMILTDMDKQ-OAHLLOKOSA-N 381.473 1.095 0 50 GDAA CC(C)Oc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857717544 XZHDMDMHSFLBLA-LNLFQRSKSA-N 389.496 1.524 0 50 GDAA CN1CC[C@@H](CC(=O)N2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)C1 1857725251 YMEAQWFSBHDLKT-SFHVURJKSA-N 377.529 1.738 0 50 GDAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1nn[nH]n1 1857736860 ZCVFWLDAZUHSNJ-JTQLQIEISA-N 375.820 1.917 0 50 GDAA Cn1cc(Cl)c(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857738593 PAEPQHYFDJHUPV-YJBOKZPZSA-N 381.835 1.641 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1NC1CCN(C)CC1 1857739313 NXMLIFBAMGCTSD-KFKAGJAMSA-N 377.533 1.212 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NC(C)C)CC[C@H]1NC(=O)c1c2c(nn1C)CCCC2 1875250784 HFWFDRYPLPFKSC-IAOVAPTHSA-N 376.501 1.737 0 50 GDAA CCC(CC)(NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 225425248 IUORDGYXVQXBAB-CYBMUJFWSA-N 390.436 1.659 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 121333850 DJIXJFSGOJBITH-UHFFFAOYSA-N 375.454 1.674 0 50 GDAA CCN1C[C@H](C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)CC1=O 236913105 LAPASBHLINLXPK-YPMHNXCESA-N 383.242 1.950 0 50 GDAA CCNC(=O)N1CC[C@@H](NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)C1 157955928 DOLJTNRLYRADCH-LLVKDONJSA-N 394.838 1.902 0 50 GDAA O=C1N[C@H](Cc2ccncc2)C(=O)N1[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 865322578 VURSNWCLWCONJR-DJIMGWMZSA-N 385.445 1.549 0 50 GDAA Cc1ccc2ncc(C(=O)NC3CN(C(=O)c4cc(C(N)=O)cs4)C3)n2c1 1875302825 IGWHPVIFFAHYDN-UHFFFAOYSA-N 383.433 1.058 0 50 GDAA CN1CCn2c(CN(C)S(=O)(=O)c3ccc4c(c3)CCCC4)nnc2C1=O 1875339957 FMEJQLIEJRVPKS-UHFFFAOYSA-N 389.481 1.063 0 50 GDAA COC(=O)/C=C/C(=O)NC[C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 1875378718 CSBQNQALWXDDTG-ITKZLYELSA-N 379.800 1.532 0 50 GDAA CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccc(OC)cc1 4576323 YFLAOPONIWRFCL-UHFFFAOYSA-N 399.451 1.171 0 50 GDAA Cc1cccn2c(CC(=O)N[C@H]3CCC[C@@H](CN4CCNC(=O)C4)C3)cnc12 2100554772 BJTZCLGCMZCVAU-SJORKVTESA-N 383.496 1.292 0 50 GDAA Cc1cc[nH]c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCC[C@@H]1CC(C)C 2332237767 KRNHDJIOOKHJGC-BZUAXINKSA-N 395.525 1.503 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)cc1C 4988401 GUKLZAZXIIWQEB-INIZCTEOSA-N 391.497 1.064 0 50 GDAA Cc1ccc(-n2nnc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C)cc1Cl 11690472 XYTHURYKKJXIIQ-ZDUSSCGKSA-N 382.873 1.797 0 50 GDAA CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCC2)c1 11817762 ZKOJJWKNDWUOPZ-SFHVURJKSA-N 394.512 1.916 0 50 GDAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)cc1 17078098 KAKBIKNDAXEOTC-CQSZACIVSA-N 382.482 1.898 0 50 GDAA CN1CCC(N2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)CC1 19787761 HDAOSDOPYXBUKF-KRWDZBQOSA-N 378.586 1.985 0 50 GDAA CN1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 19972549 AKANHCQBZUHSQG-IBGZPJMESA-N 377.444 1.668 0 50 GDAA Cc1cccc(CN2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2=O)c1 55099160 QHOAWRPLSFEKRG-UHFFFAOYSA-N 381.432 1.344 0 50 GDAA CC(C)OCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55227672 ROKUOPBBCRZOIZ-MRXNPFEDSA-N 385.867 1.711 0 50 GDAA CCCc1cc(CNC(=O)c2ccc(N3[C@H]4CC[C@@H]3CC(=O)NC4)nc2)on1 67909538 TZGWWFXMCFRYCG-CVEARBPZSA-N 383.452 1.809 0 50 GDAA Cc1cc(CN(C)C(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n[nH]1 71745371 WHSHTPCXDHMQNW-INIZCTEOSA-N 385.468 1.666 0 50 GDAA Cc1ccc(-c2ccnc(N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)n2)c(C)n1 71747801 VJCRPYJNNVVOAI-WOJBJXKFSA-N 383.496 1.552 0 50 GDAA O=C(c1cnccn1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72163822 SAZFVUDPNVTHPS-CDHQVMDDSA-N 378.432 1.908 0 50 GDAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 72442341 SGCOHJQEGKJCHM-UHFFFAOYSA-N 395.511 1.891 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cc(-c3cccn3C)n[nH]2)C[C@H]1NS(C)(=O)=O 82120959 FUOYJSBNLAVVNB-SWLSCSKDSA-N 379.486 1.061 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2C1 82166989 XOTPQWOCYCPFBI-GOSISDBHSA-N 383.452 1.390 0 50 GDAA CC(C)c1ccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c(=O)[nH]1 91876377 YHNXKFKKXLCRGI-UHFFFAOYSA-N 375.469 1.335 0 50 GDAA O=S(=O)(C1CC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95357831 WUTZPYKXSIJLBG-KFKAGJAMSA-N 376.478 1.770 0 50 GDAA CCN1CC[C@]2(CCC1=O)CN(S(=O)(=O)c1cccc(C)c1)CCN2C 95392282 YFZISRSFPRXYJF-LJQANCHMSA-N 379.526 1.702 0 50 GDAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CN1C(=O)COc2cccnc21 95527130 NULSXBQSDIPIGR-UHFFFAOYSA-N 377.404 1.651 0 50 GDAA O=C(Cn1cccn1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96138028 FJSNNOLFTMPYRI-UHFFFAOYSA-N 380.456 1.461 0 50 GDAA CCCCCOc1ccc(NC(=O)N2CCNC(=O)[C@H]2CC(=O)NC)cc1 97756469 MRVSYAXBMMQGSW-MRXNPFEDSA-N 376.457 1.724 0 50 GDAA COc1ccc(C(=O)Cn2c(NCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 170624314 ZIUNKLMVTAIFLW-UHFFFAOYSA-N 385.424 1.383 0 50 GDAA Cc1c([C@H](C)NC(=O)CN2CCCS2(=O)=O)cnn1-c1ccc(F)cc1 193399715 DOUWLOSFNLQSEV-LBPRGKRZSA-N 380.445 1.533 0 50 GDAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1coc(CC2CC2)n1 193877802 QMEJJRVCKZBNEH-KRWDZBQOSA-N 383.448 1.827 0 50 GDAA C[C@@H](c1ccccc1)[C@H](CNC(=O)N1CCOCC1)NC(=O)N1CCOCC1 225829263 YZLCQRBYKPNUPB-WMZOPIPTSA-N 390.484 1.242 0 50 GDAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3csc(N4CCCC4)n3)nn2)CC1 244884410 YLWSDRWVEHHPGF-XBXGTLAGSA-N 375.502 1.707 0 50 GDAA COCCn1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 252657247 MMCCSQYAJRNVJM-ZWKOTPCHSA-N 387.484 1.534 0 50 GDAA CCOC(Cn1ncc(C(=O)N2CCOC[C@@H]2c2cccn2C)c1N)OCC 253408215 ZUGXAKOAEJZNRQ-MRXNPFEDSA-N 391.472 1.417 0 50 GDAA O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCn1ccnc1 253410924 NYCTVOSRMLAHQJ-ZDUSSCGKSA-N 395.341 1.322 0 50 GDAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 270956469 YHXLUJGAXMKPSL-SJORKVTESA-N 383.452 1.264 0 50 GDAA O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1C[C@@H](O)C[C@H]1CO 274792483 HRCXPCCMMILVJM-HOTGVXAUSA-N 394.424 1.194 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCCO3)C1 276235289 FFWWRTPLQJAZDB-OAHLLOKOSA-N 383.452 1.567 0 50 GDAA COc1cccc(Cl)c1CC(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 276516034 QFVDPFUOKXLFIJ-CYBMUJFWSA-N 389.887 1.996 0 50 GDAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N(C)Cc2ncnn2CC(F)F)c1 278622440 XHDWLQLMDPQFPF-UHFFFAOYSA-N 392.359 1.510 0 50 GDAA CN(C)[C@@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1cncn1C 280830292 STCMQTVWMNHFKL-GOSISDBHSA-N 390.532 1.646 0 50 GDAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 284857406 KWNPYDCHJMFWDS-CYBMUJFWSA-N 392.481 1.259 0 50 GDAA O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)N1CCOCC(F)(F)C1 291428126 YYTGOHILKROQGN-MRXNPFEDSA-N 387.402 1.876 0 50 GDAA O=C(COc1ccc(N2CCCC2)nn1)NCC[C@@H]1COc2ccccc2O1 299780856 CKARXIVJKYKEMM-OAHLLOKOSA-N 384.436 1.802 0 50 GDAA COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cnc1C 328596374 KXXPAUVGAGWOKK-UHFFFAOYSA-N 390.465 1.650 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cnn(C)c1 328619922 GLCZHCYOMZHFJU-ORAYPTAESA-N 389.525 1.691 0 50 GDAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)CCCc2cccs2)C1 328637740 OTPIDSJWDNOEOH-CQSZACIVSA-N 375.498 1.882 0 50 GDAA Cn1ccnc1N1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 329914850 YAPBDERWNBVWFN-UHFFFAOYSA-N 375.860 1.621 0 50 GDAA COCCNC(=O)Cn1cc(NC(=O)N2CCOC[C@H]2c2ccccc2)cn1 363172075 HPAWESVCDKBEFM-KRWDZBQOSA-N 387.440 1.251 0 50 GDAA CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H](C2CCC2)C1 366212352 GDNSYRJQEBBCGD-AWEZNQCLSA-N 388.511 1.032 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)c1ccco1 408521058 GPIFWYIQCGLNBK-WJPHHUGGSA-N 388.445 1.922 0 50 GDAA CN1CCC(CNC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)(N(C)C)CC1 426621554 DNPFRARIRJVCPJ-KRWDZBQOSA-N 387.528 1.712 0 50 GDAA CN(C)CCN1CCC(NC(=O)N2CCCC[C@@H]2CCn2ccnc2)CC1 584890420 XQIJYEAXHSCQKV-LJQANCHMSA-N 376.549 1.863 0 50 GDAA COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOCC4(CC4)C3)C2=O)cc1 782542030 HLXGTZOIZOHNEM-IBGZPJMESA-N 387.436 1.101 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCCN(Cc2cccs2)C1 828013167 YFIMRRXSAYPRRV-HNNXBMFYSA-N 398.492 1.883 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNc2nc(N)c3cnn(C)c3n2)cc1 1529111980 DRSHMRFVAKMKNU-UHFFFAOYSA-N 375.458 1.034 0 50 GDAA O=C(O)[C@H]1CN(C(=O)C2CCN(C3CCOCC3)CC2)C[C@@H]1c1ccccn1 1565527406 UQOOJNQJZMXOFL-ROUUACIJSA-N 387.480 1.599 0 50 GDAA CN1CCN(C)C(=O)Cc2ccc(cc2)OCCn2cc(nn2)CCCC1=O 1704342400 BDKRZHZJTOVOLJ-UHFFFAOYSA-N 385.468 1.153 0 50 GDAA CCNc1ncc(CN2C[C@@H]3CN(Cc4ncc[nH]4)C[C@]3(CCC(=O)O)C2)cn1 1772704269 SHVNMAXASWXBSA-UZLBHIALSA-N 399.499 1.430 0 50 GDAA COCC(=O)N1CCN(C(=O)NCc2nc(C)cs2)CCC12CCOCC2 1775962915 VYFHCEJKHJUNGV-UHFFFAOYSA-N 396.513 1.391 0 50 GDAA Cn1cc([C@H]2CN(CC3(O)CCC3)C[C@@H]2C(=O)N2CCOCC23CCC3)cn1 1857532976 LMYIGCXZCCVVDN-MSOLQXFVSA-N 388.512 1.132 0 50 GDAA Nc1ncccc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 1857714041 JEPHEKVZFJELON-JIPZTSHUSA-N 394.475 1.962 0 50 GDAA O=C(c1c(O)cccc1O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857728293 VUVOIBZFQZVNJO-YJBOKZPZSA-N 382.416 1.740 0 50 GDAA CC(C)Cn1c(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)nc2ccccc21 1857730184 ZWDKBHMOFLHPEJ-IPELMVKDSA-N 390.553 1.851 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NC3CC3)C2)c2ccccc21 1875250436 YGBDVXGZVWNAQO-BTYIYWSLSA-N 381.480 1.579 0 50 GDAA O=C(NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]2Cc2ccccc2)CC1 1875265256 YKBOQOXUPMNXNE-LEWJYISDSA-N 399.535 1.552 0 50 GDAA O=C1NCCCN1CCCn1nnnc1N1CCCC[C@@H](C2CCOCC2)C1 1875283207 JPXBWUPRKPKZCC-QGZVFWFLSA-N 391.520 1.512 0 50 GDAA COc1nc(C)cc(N2CCC[C@H](N(C)C(=O)CCn3ccccc3=O)C2)n1 1875310477 RCFDMMUABBYFFS-INIZCTEOSA-N 385.468 1.473 0 50 GDAA CCCn1ccc(CNC(=O)NS(=O)(=O)c2ccc(Br)o2)n1 1875330865 FYXGJTAYIKPWBN-UHFFFAOYSA-N 391.247 1.837 0 50 GDAA Cn1cc(S(=O)(=O)NC(=O)NCC[C@@H]2COC(C)(C)C2)c(C(F)(F)F)n1 1875335358 FDTPDYZPTAUCKY-VIFPVBQESA-N 398.407 1.632 0 50 GDAA NS(=O)(=O)c1sccc1CN=c1[nH]c(-c2ccccn2)nc2c1CCC2 1875362468 GQQDXSPCJKLRID-UHFFFAOYSA-N 387.490 1.770 0 50 GDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cn(Cc2cccnc2)nn1 1875400165 SKOVTIUBQBVRJE-BMGDILEWSA-N 387.875 1.501 0 50 GDAA Cc1cc(=NC(=O)C(=O)N2C[C@H](C)[C@@H](O)[C@H](C)C2)[nH]n1-c1ccc(Cl)cc1 2325756253 GPCPDPNZDCUNAX-PBKGOJFUSA-N 390.871 1.670 0 50 GDAA Cn1c(CNC(=O)N2CC[C@@](N)(c3ccccc3)C2)nc2ccccc2c1=O 2325766274 OZJLCMDGWVNFQH-NRFANRHFSA-N 377.448 1.703 0 50 GDAA CCn1ncc(C(=O)NC2(CCOC)CCN(C(=O)[C@H](C)C3CCC3)CC2)n1 2325793633 BBRSWIVIDRWLBI-OAHLLOKOSA-N 391.516 1.862 0 50 GDAA CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 821209 JBBSXEWXFABNGK-UHFFFAOYSA-N 378.450 1.954 0 50 GDAA O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1234534 CGXLIZCAKSKYQP-UHFFFAOYSA-N 390.417 1.658 0 50 GDAA CC(C)N(C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1)c1ccccc1 2275543 UPNASVCQTRGWDO-UHFFFAOYSA-N 382.472 1.733 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCC[C@@]34CCCNC4=O)CC2)c1 2356143889 BLWZSOMKAGUFFP-JOCHJYFZSA-N 399.491 1.819 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)CC1 2917254 DGQSZABRKQDNPJ-UHFFFAOYSA-N 397.435 1.409 0 50 GDAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C 55243312 KTVFVRSJOWAAEL-GOSISDBHSA-N 385.512 1.861 0 50 GDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 115388517 MGUFAEKYLNGIEL-UHFFFAOYSA-N 382.468 1.175 0 50 GDAA Cc1nn2cc(CCNC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)nc2s1 55119920 CJPCHNQNBXSWIB-UHFFFAOYSA-N 393.494 1.336 0 50 GDAA O=C(CN1C(=O)c2ccncc2C1=O)N1CCN(C/C=C/c2ccccc2)CC1 20427502 YTXYPTPDQAMING-QPJJXVBHSA-N 390.443 1.535 0 50 GDAA CC1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 67604138 DMBKFZHWYCADBD-UHFFFAOYSA-N 379.526 1.636 0 50 GDAA Cn1nnc(-c2ccc(OCC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)cc2)n1 170613820 VBAYPZWXYRBEHU-AEFFLSMTSA-N 384.484 1.637 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CCN1C 67674312 JAWHQYKZZYYTSY-KRWDZBQOSA-N 387.528 1.159 0 50 GDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)c(C)n1 2807847 RYPGJWMFEMHHIO-CQSZACIVSA-N 380.470 1.522 0 50 GDAA O=C(COC[C@@H]1CCCCO1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 77437691 RSBVQBAVKCAEKL-HNNXBMFYSA-N 384.436 1.302 0 50 GDAA CN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)c2cccc(F)c2)cn1 150895103 QEFOJOOSXHSQME-UHFFFAOYSA-N 375.448 1.616 0 50 GDAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCOC[C@H]1c1ncnn1C 329156750 CWOUSMLOUFBIOW-OLZOCXBDSA-N 377.470 1.688 0 50 GDAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(c2ncccn2)CC1 121892491 LOOLJPMNELMBPE-IBGZPJMESA-N 380.496 1.973 0 50 GDAA Cn1c(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccncc2)cc2ccccc21 72168007 WUPSRJYDOOMPQA-LJQANCHMSA-N 377.448 1.304 0 50 GDAA CCn1c(C)ccc(C(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)c1=O 215844481 DURXDNBXJOLPKF-LBPRGKRZSA-N 381.479 1.343 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1COCCN1C(=O)c1ccc(F)c(F)c1 72474398 LSFILKHJFIIBDR-OAHLLOKOSA-N 392.406 1.620 0 50 GDAA COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O 217969435 XHYQKCBCQHWLJB-GFCCVEGCSA-N 391.376 1.579 0 50 GDAA biogenic O=C(N[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1O)c1ccccn1 426701641 POKPLKMCQSMGHJ-RHSMWYFYSA-N 393.399 1.193 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1 20028702 CXXVUKXKPOFXDB-MRXNPFEDSA-N 383.489 1.142 0 50 GDAA CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 95378171 HXTFGDVPQHIRJW-UHFFFAOYSA-N 376.482 1.913 0 50 GDAA COCCN1CCN(Cc2ccc(OC)c(C)c2C)[C@H]2CS(=O)(=O)C[C@H]21 91651345 RZYMLEDDUZHUAQ-MSOLQXFVSA-N 382.526 1.242 0 50 GDAA CN1CC[C@]2(CCN(c3ncc(C(C)(C)C(=O)O)c(N4CCOCC4)n3)C2)C1 96149762 WXFJBSJYBPQVBO-FQEVSTJZSA-N 389.500 1.207 0 50 GDAA COc1cc(CN2CCCOCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 95516845 ACYZMUZJSDLOIV-IBGZPJMESA-N 394.512 1.114 0 50 GDAA CN1C[C@@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)CC2)OC1=O 95528025 MFHVBMQJZRKHEC-SFHVURJKSA-N 375.450 1.896 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 95357239 DVRCCVAODCRDMZ-QGZVFWFLSA-N 379.468 1.794 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1 95362931 HYYILTFJAWSNMC-MRXNPFEDSA-N 376.457 1.022 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)s1 23366543 HEAQJXZVPUIAET-CYBMUJFWSA-N 383.543 1.943 0 50 GDAA CCn1c(C)nnc1SCCNC(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21 91665188 NSVFWWAVWYKIPF-AWEZNQCLSA-N 389.481 1.949 0 50 GDAA COCc1cccc(C(=O)N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95392433 LWAKCMBQTSWQOL-OAHLLOKOSA-N 395.467 1.621 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2O)C1 240499965 NPRMOLSFGWHWDS-KLPPZKSPSA-N 380.832 1.452 0 50 GDAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cn2)C[C@@H](C)O1 298398881 GOHMUSWNCSFKJX-CHWSQXEVSA-N 390.465 1.595 0 50 GDAA COc1ccccc1CCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299802931 YOLRATRANVZQQK-IAGOWNOFSA-N 375.494 1.836 0 50 GDAA COCCc1noc(CNC(=O)N2CCCOc3c(cccc3OC)C2)n1 584902926 VXODVKCIUYRKSY-UHFFFAOYSA-N 376.413 1.761 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2onc3c2CCCC3)cc1 670465866 LSQOGNLBTFUUAK-UHFFFAOYSA-N 377.466 1.960 0 50 GDAA O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N[C@H]2C[C@]3(CCNC3)Oc3ccccc32)CN1 1345559220 IAEPKZNXMOTJML-COJSNBRMSA-N 397.397 1.673 0 50 GDAA COCCc1noc([C@@H]2CCCN(C(=O)c3nnc(O)c4ccccc34)C2)n1 952973274 NIGJCLVFBKHFEI-GFCCVEGCSA-N 383.408 1.927 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc3c(c2)OCCCO3)C1 276235286 FFWWRTPLQJAZDB-HNNXBMFYSA-N 383.452 1.567 0 50 GDAA CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1c[nH]cn1 170610240 IDEJDLVMGYOMOS-VMPITWQZSA-N 383.452 1.747 0 50 GDAA Cn1c(C(C)(C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nc2ccccc21 186794573 IQPPCIIMCPPDAM-ZDUSSCGKSA-N 378.498 1.596 0 50 GDAA Cc1cc(C(=O)Nc2csc3nc(=O)c(C)nn23)ccc1N1CCOCC1 1529093977 DBKQWUKIVIJURG-UHFFFAOYSA-N 385.449 1.857 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCO[C@H](CN)C2)ccc1F 1704325520 OFAGTHDNPATJFU-GFCCVEGCSA-N 378.404 1.355 0 50 GDAA O=C1CO[C@]2(CCN(C(=O)Cc3ccccc3OCc3ccccc3)C2)CN1 1772812797 PKXQQXYNCBFNMR-JOCHJYFZSA-N 380.444 1.926 0 50 GDAA Cn1cccc1C(=O)C(=O)N1C[C@H]2CN(C(=O)CC3CCCC3)C[C@]2(CO)C1 1772710553 BPPYIWBXOUGXGG-IIBYNOLFSA-N 387.480 1.067 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cnccn2)cc1 14975930 DOMKYVREQJQKGG-IBGZPJMESA-N 397.479 1.224 0 50 GDAA COCCC(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857671740 ZRWGGIXVORKKAB-SFHVURJKSA-N 394.443 1.459 0 50 GDAA CC(=O)N1C[C@H]2[C@@H](NC(=O)CCc3nc4ccccc4[nH]c3=O)CCC[C@H]2C1 1857678983 OXSWZSZWBVNGLM-XHSDSOJGSA-N 382.464 1.619 0 50 GDAA O=C1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)CCCCc2ccccc2)CN1 1857692985 CHMVCDJAHQXGDO-MOXWOTFGSA-N 397.519 1.889 0 50 GDAA Cc1c(F)cccc1C(=O)N1CCC[C@]2(C1)CN(C(=O)C(C)(C)N)CC[C@H]2O 1857695913 DVAOHRVQYJUUJS-UTKZUKDTSA-N 391.487 1.687 0 50 GDAA C[C@@H](C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1)N1CCN(C)CC1 1857700526 VUGJQENFKZVDRZ-KRWDZBQOSA-N 381.524 1.650 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NCCCc2ncc[nH]2)C[C@@H]1O)c1ccc(F)cc1 1875243600 OFDWEKOHROOCTL-XIRDDKMYSA-N 388.443 1.557 0 50 GDAA COc1cccc(CCC(=O)N[C@@H]2CN(Cc3nnc(C)s3)CC[C@H]2O)c1 1875248040 VUBJQQOWXKORBI-IAGOWNOFSA-N 390.509 1.539 0 50 GDAA CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3C)CC2)n1 330080200 OTVBJAVJTQVIFI-JJRVBVJISA-N 388.472 1.349 0 50 GDAA CN[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 150977682 VPUNUVFDEQGKRS-SNVBAGLBSA-N 375.288 1.677 0 50 GDAA Cn1ncc2c(=O)n(CC(=O)Nc3ccnn3Cc3ccccc3Cl)nnc21 154402796 GLYFXCXPHWLNAF-UHFFFAOYSA-N 398.814 1.062 0 50 GDAA COC[C@]1(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)OCCc2ccccc21 263087711 AAFJPPWCPFTPII-KKVAFCGZSA-N 376.453 1.853 0 50 GDAA CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)c1 837187036 BKUZSEFEVIEYFP-UHFFFAOYSA-N 397.432 1.322 0 50 GDAA Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C(=O)O)C[C@@H](c2cnn(C)c2)C1 868455699 RYTFKHBREPIQNA-OLZOCXBDSA-N 395.410 1.888 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCc3c(cnn3C)[C@@H]2C(N)=O)c(C)c1F 1875289130 UGKVMBJSCRUIKQ-OAHLLOKOSA-N 380.445 1.258 0 50 GDAA C[C@@H](C(=O)N=[S@@](C)(=O)C1CCNCC1)N1CCN(c2ccc(F)cc2)CC1 1875276552 ARIBTIUXFRNNEL-QZXCRCNTSA-N 396.532 1.713 0 50 GDAA O=C(N[C@@H]1CNC[C@@H]1n1cccn1)[C@@H]1COc2c(Br)cccc2C1 1875392451 CMUFEVXCZWNRLF-CFVMTHIKSA-N 391.269 1.526 0 50 GDAA CC(C)N1CCC[C@@H](N2CCN(C(=O)c3ccc4c(c3)OCCN4)CC2)C1=O 1875321798 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Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCCO 9060288 XSUGGESCBQUQFT-UHFFFAOYSA-N 381.436 1.083 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=S)N[C@@H]2CCOc3ccccc32)CC1 2325736244 YITRMDAWJVWWBC-SSDMNJCBSA-N 383.539 1.835 0 50 GDAA Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3NCC4(CC4)c4ccccc43)CC2)n1 2325796157 WPYGMHCKUBKRPD-GOSISDBHSA-N 379.464 1.515 0 50 GDAA Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(-c4cnn[nH]4)cc3)C2)no1 2325869263 FOWLJDZAWXRLDJ-CQSZACIVSA-N 394.435 1.589 0 50 GDAA CCCS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 900116 JKWNAHNTSHSALA-UHFFFAOYSA-N 386.470 1.210 0 50 GDAA COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4251080 FLXSUBUNKVBRML-UHFFFAOYSA-N 381.436 1.543 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1 4741010 LFAJTFXAGOALJU-UHFFFAOYSA-N 382.873 1.253 0 50 GDAA COc1ccc([C@H](CNC(=O)c2cc3n(n2)CCCO3)N2CCOCC2)cc1 225457829 GJOAKBPUYQQOPJ-SFHVURJKSA-N 386.452 1.478 0 50 GDAA COC(=O)[C@@H]1N[C@H](c2ccc(Oc3ccccc3)nc2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 65408338 XMKWBALQSAHWQI-YYIAUSFCSA-N 381.388 1.291 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)[C@@H](O)c2ccc(F)cc2)CC1 67472812 CMLYXEFFBRYHKJ-SFHVURJKSA-N 386.427 1.239 0 50 GDAA CCOc1ccc(C)cc1S(=O)(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67588855 RPWSQQVZWLTDDM-UHFFFAOYSA-N 379.438 1.572 0 50 GDAA C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2)c1nncn1C 65371649 WSQGXGQGUYHSDE-OAHLLOKOSA-N 379.468 1.909 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)cc2)n1 219492648 YETXODTWHRETGN-HZPDHXFCSA-N 380.408 1.238 0 50 GDAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCC(=O)NC3=O)c12 152113805 WWNSNQJHBZRGIN-ZDUSSCGKSA-N 383.452 1.907 0 50 GDAA Cn1nnc(-c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)n1 218158897 MAIRIBSLSDPRLR-INIZCTEOSA-N 381.392 1.068 0 50 GDAA O=C(OC[C@@H]1CCCCN1C(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1 376422613 CCEGERZMMNQOIG-SFHVURJKSA-N 399.451 1.731 0 50 GDAA Cc1nc(C)c(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)s1 72437686 JOKPYIFVXALLGE-UHFFFAOYSA-N 388.497 1.349 0 50 GDAA CC[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262369031 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O=C(NCc1cccc(-c2nc[nH]n2)c1)NC1CCN(C[C@@H]2CCCO2)CC1 1875258841 DTMXIKLISHZOIY-SFHVURJKSA-N 384.484 1.914 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCS(=O)(=O)c3ccccc32)CC1 1875371345 XUWFQZNRZVDPIP-INIZCTEOSA-N 376.478 1.836 0 50 GDAA COc1ncc(CNC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)cc1Cl 888093592 JACZGDFPXBOOBB-QGZVFWFLSA-N 384.864 1.258 0 50 GDAA Cc1nsc(N2CCC3(CC2)CN(C(=O)[C@H]2CCCC(=O)N2C)CCO3)n1 1775992190 PXCKODFKAIHJLY-CQSZACIVSA-N 393.513 1.055 0 50 GDAA CN(C)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1 1443796 MYTPOLZXFSCNOV-UHFFFAOYSA-N 395.423 1.112 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)[C@H]4Cc5ccccc54)cc3C2=O)C(=O)N1 2325887972 FBHVFLQLTIVHQZ-ZWKOTPCHSA-N 389.411 1.726 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 2325888445 SVERNMZSNAJZAZ-UHFFFAOYSA-N 379.482 1.608 0 50 GDAA Cn1ccc(CC(=O)N2CC3(C[C@H](NC(=O)[C@@]4(C)C=CCC4)c4nccn43)C2)n1 2332238078 XYZCAFOQLUNIPR-JXFKEZNVSA-N 394.479 1.314 0 50 GDAA Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CN)C2)C1 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COc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(C)C2 91493434 DEVANGJHMIUUDY-GOEBONIOSA-N 376.482 1.596 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)CCc2cc(Cl)no2)CC[C@@H]1N1CCOCC1 95378434 QRFAFAVCOFKGKX-HIFRSBDPSA-N 399.875 1.675 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 299749413 KGBASERNBMOTKJ-JDSLSITLSA-N 382.420 1.618 0 50 GDAA CC(C)(C)c1ccc2oc(CNC(=O)N3CCN4CCNC(=O)[C@@H]4C3)nc2c1 534674535 UQPRFZBUCPIMID-HNNXBMFYSA-N 385.468 1.451 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)C[C@H]2O)no1 299793539 GMBHBBSDAJVFIG-CRAIPNDOSA-N 397.435 1.033 0 50 GDAA COCCn1cnnc1CCNC(=O)C1CCN(C(=O)C2CCCC2)CC1 299755187 AZTIFJWNJOUDAM-UHFFFAOYSA-N 377.489 1.012 0 50 GDAA O=C1NCCN2CCN(C(=O)Nc3ccc(OCc4ccccn4)cc3)C[C@@H]12 299764962 WMUOESUKAMZRSM-SFHVURJKSA-N 381.436 1.309 0 50 GDAA CS(=O)(=O)NC1CCN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CC1 827647432 RDVZXGMWZSBBEG-SFHVURJKSA-N 397.516 1.893 0 50 GDAA CN(CCC(=O)NCc1nc(-c2ccccc2F)no1)[C@@H]1CCS(=O)(=O)C1 952990227 LRVJNPCMBVBXHG-GFCCVEGCSA-N 396.444 1.001 0 50 GDAA CCOC(=O)c1sc2nc(C)nc(N3C[C@H](O)C[C@H]3C(=O)OC)c2c1C 170091000 LXZJOPDLBAGAFJ-MNOVXSKESA-N 379.438 1.597 0 50 GDAA Cc1cc(S(=O)(=O)N(C)Cc2ncnn2CC(F)F)cc(C(=O)O)c1C 278201193 GBLKJARNGNKHSQ-UHFFFAOYSA-N 388.396 1.679 0 50 GDAA NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)ccn1 185826218 LMFBZCVDYREABS-LLVKDONJSA-N 382.392 1.016 0 50 GDAA COC(=O)c1cc(O)cc(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1 1704358377 JBEKHNZFZAKGNF-BEFAXECRSA-N 376.409 1.190 0 50 GDAA CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[nH]nc1C1CCCCC1 1800414105 KXEIOASAWPFSLY-HUUCEWRRSA-N 396.513 1.269 0 50 GDAA O=C(O)CC[C@@]12CN(Cc3cc[nH]n3)C[C@@H]1CN(C1CSCCSC1)C2 1772705239 LSOROFIWXGGHQK-KDOFPFPSSA-N 396.582 1.857 0 50 GDAA O=C(CCC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC1)NC1CC1 11665246 SZAVKKSGEQCCPZ-GOSISDBHSA-N 398.507 1.728 0 50 GDAA O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCc3ccccc3C2)CCC1=O 12076157 QCDQURJCYLFKEA-IBGZPJMESA-N 383.492 1.822 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnccn1 12076632 GJJVMFYUOYZKCB-SFHVURJKSA-N 397.479 1.224 0 50 GDAA CCN(CC)C[C@@H](O)COc1ccc(CNCCc2c[nH]cn2)cc1OC 12306745 OHZGEYATZLGMSB-GOSISDBHSA-N 376.501 1.832 0 50 GDAA Cc1cnc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cn1 12596780 WITOTVAKMAHZML-IBGZPJMESA-N 376.407 1.707 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(CC(C)C)CC2 14742861 DYMZWGZOAGEYOO-QGZVFWFLSA-N 391.560 1.758 0 50 GDAA O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14750472 XOHJUOXRDQXXGE-IHRRRGAJSA-N 396.369 1.801 0 50 GDAA CCc1noc(CNC(=O)Cn2ncc(N3CCc4ccccc4C3)cc2=O)n1 19640075 XIANOENLNPBHOU-UHFFFAOYSA-N 394.435 1.068 0 50 GDAA Cc1cccc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2-c2ccn(C)n2)CO3)n1 1857694209 FBUHDQKXGRKSJW-IBGZPJMESA-N 379.424 1.197 0 50 GDAA COC(=O)c1cc(C)nc(N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)n1 1857696266 UHBHUROLUZRESF-HXUWFJFHSA-N 398.467 1.618 0 50 GDAA COCC1(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)CC1 1857726077 VWGKZXZTCWKUGA-ROUUACIJSA-N 375.469 1.109 0 50 GDAA Cc1cc(CN2CC3(CCN(C(=O)C4CCOCC4)CC3)OCCC2=O)on1 1857735644 IWBGWBZRVWZNNF-UHFFFAOYSA-N 391.468 1.520 0 50 GDAA CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)CN(C)C3CCCC3)[C@H]3CC[C@]2(C1)O3 1857737959 LFPLWXDABXFMRZ-XKGFGPFHSA-N 377.529 1.783 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 363795441 ZAJFKLMHVGTKHJ-ROUUACIJSA-N 389.496 1.575 0 50 GDAA Cn1c(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc2cc(F)ccc21 1704307515 ILZQICXDLSGBDX-WFASDCNBSA-N 375.400 1.175 0 50 GDAA C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 822183828 USKQSCWMGKPRLB-SUMWQHHRSA-N 389.477 1.743 0 50 GDAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CC(=O)N(CC)C2)(c2ccccc2)CC1 848242924 RGMKCKGYTXAYEG-KRWDZBQOSA-N 383.492 1.717 0 50 GDAA CC[C@H]1CCCN(C(C)(C)CNC(=O)C2CC3(C2)C[C@@H](N)CCS3(=O)=O)C1 1875277083 FSSFYANNSSHJLL-HMFCVHIJSA-N 399.601 1.688 0 50 GDAA C[C@@]1(O)CCN(C2CCN(S(=O)(=O)c3cc(F)cc(C(=O)O)c3)CC2)C1 1875269648 YJGDHRHDTREUFA-QGZVFWFLSA-N 386.445 1.134 0 50 GDAA COC(=O)[C@]12COC3(CN(C(=O)NCCc4ccnc5ccccc45)C3)[C@@H]1C2 1875301225 GAWJFBIZSTWHTP-YLJYHZDGSA-N 381.432 1.751 0 50 GDAA COC(=O)[C@H](Cn1cc(Cl)cn1)NC(=O)C[C@H]1OCCc2ccccc21 1875382977 AJOKTRACVLMWMS-JKSUJKDBSA-N 377.828 1.898 0 50 GDAA CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cscc2Cl)c1 1875317477 ZWBGRVJXYZBXTA-UHFFFAOYSA-N 380.900 1.788 0 50 GDAA C[C@H]1COCC[C@@H]1Nc1ncncc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 1875356221 LAJSZPSPLSBRES-YOEHRIQHSA-N 399.499 1.451 0 50 GDAA CNS(=O)(=O)c1cc(Cl)sc1C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2OC 1875313688 WWOICGOEMLVBJW-QCLAVDOMSA-N 378.903 1.853 0 50 GDAA Cc1cnc2c(cnn2CC(=O)N(C)C2CC(NC(=O)C[C@@H]3CCOC3)C2)c1 1875325853 VLJMFQPNTDXGOF-OOHWJJMZSA-N 385.468 1.272 0 50 GDAA Cc1ccc(F)c(S(=O)(=O)NCCNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1 886091653 FELYXPQCYJVTCV-RRCSTGOVSA-N 395.456 1.007 0 50 GDAA Cc1csc(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3c(C)noc3C)C2)n1 2100539278 ARXRCJZFDDJOFQ-BFHYXJOUSA-N 392.481 1.285 0 50 GDAA Cc1cc(C)n(CCC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(=O)n1 2100556494 BVHACTHEWNUBBU-WOJBJXKFSA-N 396.491 1.535 0 50 GDAA CC(=O)Oc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 2533059 FQRSTLIIVJRPEF-LFIBNONCSA-N 391.408 1.651 0 50 GDAA CCc1cnc(CN2C[C@@H](CC(=O)N[C@@H](C)C3(CO)CC3)OCC23CCC3)[nH]1 2325785409 XCJRAHDOPKXQEF-DOTOQJQBSA-N 390.528 1.763 0 50 GDAA C[C@H](N=c1cnc(C(=O)N2CCNCC2)c[nH]1)c1ccn(-c2ccccc2)n1 2325793014 BUKVJYOBLDGHQU-HNNXBMFYSA-N 377.452 1.303 0 50 GDAA CO[C@@H]1CCn2cc(C(=O)NS(=O)(=O)c3ccc(OC(C)C)cc3)nc2C1 870269138 MSQURIPWPWXXAF-CQSZACIVSA-N 393.465 1.750 0 50 GDAA CS(=O)(=O)NCc1ccc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)o1 133149977 VKNATGAWICNRQP-KRWDZBQOSA-N 388.445 1.945 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCc2ccncc2)CC[C@@H]1N=c1[nH]nc(C)o1 2356137017 OMWBHEYBSXJMIV-BZSNNMDCSA-N 387.484 1.930 0 50 GDAA O=C1COC2(CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)CN1 2356141490 DQNBAKVJRYOSHB-UHFFFAOYSA-N 382.420 1.735 0 50 GDAA COC(=O)c1sccc1S(=O)(=O)N(C)[C@H]1C[C@H]2CC(=O)N(C)C[C@H]2C1 2356146342 BUQKECCBIWHERH-TUAOUCFPSA-N 386.495 1.412 0 50 GDAA COC(=O)c1cnc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cn1 2356153618 NZOIQSVGAJMTCY-HXUWFJFHSA-N 382.468 1.599 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2cc(C)on2)C[C@H]1NC(=O)Cc1[nH]cnc1C 2356156345 WUHYVWZAAUIDEO-IAOVAPTHSA-N 389.456 1.173 0 50 GDAA CCOc1ccc(OCCn2c(S(=O)(=O)O)nc3c(N)ncnc32)cc1 2851883 DMRDRPPBASNATF-UHFFFAOYSA-N 379.398 1.133 0 50 GDAA Cc1ccc(=NCCCNC(=O)c2ccc3nnc([C@H](O)C(C)C)n3c2)[nH]c1 2356165889 JJKWHFRLTHPMQF-GOSISDBHSA-N 382.468 1.776 0 50 GDAA COc1cccc(N2C(=O)C[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c1 6702273 JOKFWNZCDSCSDV-INIZCTEOSA-N 389.452 1.880 0 50 GDAA O=C(NC[C@@H]1CCCCO1)c1coc(CN2CCN(c3ncccn3)CC2)n1 55108621 KJLAFVXPUWTVND-HNNXBMFYSA-N 386.456 1.086 0 50 GDAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55107854 IOCCIQLTRDMHKA-HNNXBMFYSA-N 387.402 1.549 0 50 GDAA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1I)[C@@]1(CO)C=C[C@H]2O1 101373647 PLMBSVQKDHROPM-BLTAXRJOSA-N 397.168 1.097 0 50 GDAA C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 248151645 XQQRTSAEGQCVPL-XPKDYRNWSA-N 382.457 1.381 0 50 GDAA CCC[C@@H](C(=O)OCC)S(=O)(=O)NC(=O)c1cccc(C(=O)N(C)C)c1 253425617 VILSLDWKLLANGB-AWEZNQCLSA-N 384.454 1.180 0 50 GDAA COc1cccc([C@@H]2C[C@H](C(=O)N3CCC(C)CC3)N(C)S(=O)(=O)N2)c1 67640726 RITGTMFHIHERFI-DLBZAZTESA-N 381.498 1.533 0 50 GDAA Cc1cc(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)cc(C)n1 72475230 CIZZPMYVZRTTGF-HNNXBMFYSA-N 375.498 1.971 0 50 GDAA FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cnc(N3CCOCC3)nc1)C2 328625147 CULSBIUGMINXDP-ZDUSSCGKSA-N 396.417 1.881 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cnc(C(C)C)[nH]3)C2=O)n(C)n1 328614638 WMDSKZKACDVURW-GFCCVEGCSA-N 380.474 1.049 0 50 GDAA CCc1ccc(-c2cc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)[nH]n2)cc1 77457593 MMIIAZCZTGMNGI-MSOLQXFVSA-N 388.493 1.192 0 50 GDAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 218040035 WTKKSJLRSFIKEK-SNVBAGLBSA-N 377.349 1.276 0 50 GDAA biogenic COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCCN[C@@H]3C)CC2=O)cc1OC 262841457 XMHJGENMXKSCLK-OIISXLGYSA-N 389.496 1.352 0 50 GDAA COCCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77426152 MVZCXVLQNZWIGV-UHFFFAOYSA-N 396.494 1.569 0 50 GDAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)CC1=O 333015281 WOZBFYMXJKXELC-UGUYLWEFSA-N 387.484 1.320 0 50 GDAA O=C([C@H]1CC[C@@H](C(=O)N2CCOC[C@H]2C2CC2)C1)N1CCOC[C@H]1C1CC1 334050744 RQUBUQVUJLFDNM-RDGPPVDQSA-N 376.497 1.678 0 50 GDAA CCN1C[C@]2(CCCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C2)CCC1=O 72463603 BTZRYTNFJYPBTG-FQEVSTJZSA-N 382.468 1.742 0 50 GDAA CC(C)N1CCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 20234925 GZJHOAHHCQNJSS-HXUWFJFHSA-N 381.467 1.844 0 50 GDAA Cc1nonc1CC(=O)N1CCc2c(cc(Cc3ccccc3F)c(=O)n2C)C1 20454020 PSDTUGXHYMYJCM-UHFFFAOYSA-N 396.422 1.934 0 50 GDAA O=C(Cn1ccccc1=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 91908471 NVMUZHDYGZJTGA-UHFFFAOYSA-N 383.496 1.900 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3cccnc3)C2)CCC1=O 95506393 BYUWFHMFOLAXTL-NRFANRHFSA-N 388.512 1.391 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCNC4=O)csc3C2)nc1 426383419 XIUDBSJATVUYRR-KRWDZBQOSA-N 384.505 1.882 0 50 GDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)Cn2ccnc2)CC1 96133631 ITJJMXJVRQCNGN-UHFFFAOYSA-N 382.472 1.454 0 50 GDAA NS(=O)(=O)N1CCC(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 292146627 UVEXRGYGODCVBY-KRWDZBQOSA-N 393.509 1.112 0 50 GDAA Cc1nn(C(C)C)c(C)c1CN1CCn2nc(CNS(C)(=O)=O)cc2C1 426533833 APBODQQDWGUYPK-UHFFFAOYSA-N 380.518 1.342 0 50 GDAA N[C@@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)c1ccccc1 91380842 QKYPGXOBGDPJGV-HXUWFJFHSA-N 395.507 1.883 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c1C 91988484 HFYUKAPUFCIFCB-SJORKVTESA-N 392.500 1.736 0 50 GDAA CN1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91914574 DWCJERRJEBNAFU-IBGZPJMESA-N 384.524 1.950 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3n[nH]c(C)n3)C2)cc1 95528306 XSRFYFUOFDTBMD-AWEZNQCLSA-N 379.486 1.312 0 50 GDAA CCSc1nnc(NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)s1 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COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2cscn2)cc1OC 1529134087 QGMHEKAYSDOZBI-SJORKVTESA-N 391.449 1.375 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(C(=O)c2cccc(O)c2)CC1 1529168859 OLDLZPPYSNZFGU-QGZVFWFLSA-N 389.452 1.688 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529113174 CFCHZWTUWXDTIZ-SJLPKXTDSA-N 380.452 1.131 0 50 GDAA O=C(CN1CCCN(C(=O)c2cccnc2)CC1)NCCc1ccc(F)cc1 1772704864 QFLVHKHHAOITLD-UHFFFAOYSA-N 384.455 1.728 0 50 GDAA COc1cc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc(Cl)c1OCC(=O)O 1772708397 GVIXIAULHMCCFX-XIKOKIGWSA-N 399.827 1.735 0 50 GDAA O=C(NCCc1nccs1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772803980 BRCVBDUIUPJSEN-GFCCVEGCSA-N 378.523 1.900 0 50 GDAA CSCCCNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12590543 CNBMQIITYZGRMY-UHFFFAOYSA-N 386.539 1.972 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2c2nccs2)nn1 12709093 CZHXVIIRDMWWBH-CQSZACIVSA-N 376.486 1.970 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N[C@@H](c1ccccc1)c1ccco1 19227353 URDPKHNRSAREDJ-FQEVSTJZSA-N 396.451 1.394 0 50 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CCS(=O)(=O)N1CCc2c(ncn(CCCc3cccc(F)c3)c2=O)C1 328628830 HPGSCNXVOMCSBB-UHFFFAOYSA-N 379.457 1.723 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnn(-c2ccccc2)c1 12458668 YCPYULRAOIYWTL-LJQANCHMSA-N 383.496 1.378 0 50 GDAA C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1nnc(-c2ccccc2)n1 126470676 QPYLPQNBJSFODD-CQSZACIVSA-N 389.419 1.255 0 50 GDAA O=C(c1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530520 GIGABWGKQQLOBJ-UHFFFAOYSA-N 387.871 1.929 0 50 GDAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cn(C(C)C)cn2)C1 488550536 FTRWDTDIQWZAAY-NEPJUHHUSA-N 382.408 1.684 0 50 GDAA COC(=O)[C@@H](CCSC)NC(=O)CCc1nc2ccccc2n(C)c1=O 212512106 GJNAXFUEDHKHMD-CQSZACIVSA-N 377.466 1.277 0 50 GDAA O=C1CC[C@H](C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CN1 77389487 SZPYRXIZDPPXNN-KRWDZBQOSA-N 385.464 1.569 0 50 GDAA CN(C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)c4ccoc4)CC3)OC2=O)C1 72433912 QEOOBOQUVVYHBK-QGZVFWFLSA-N 390.484 1.343 0 50 GDAA O=C(C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1ccccn1 223234073 DIQTYDMLSSRJGI-QGZVFWFLSA-N 384.411 1.433 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnccc1C)CC2 95525395 DWLCXRPUZWFJGG-UHFFFAOYSA-N 383.452 1.276 0 50 GDAA CN1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)C1 91951295 KJOHHAPASRSEPH-IBGZPJMESA-N 384.524 1.807 0 50 GDAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 95511243 VLUZINXISKTLDY-HXUWFJFHSA-N 375.517 1.795 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 95383857 TYOBNBNRRZWIBP-QGZVFWFLSA-N 385.516 1.642 0 50 GDAA CC(C)(c1ccccc1)c1nnc(NC(=O)[C@@H](N)CCS(C)(=O)=O)s1 236716454 JYKOAFZACXWTEW-LBPRGKRZSA-N 382.511 1.565 0 50 GDAA Cc1nccn1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 23153381 GXNUVCBHLVRQDT-SFHVURJKSA-N 387.459 1.180 0 50 GDAA CN1CCN(C[C@@H]2CN(Cc3cccc(Cn4cccn4)c3)C[C@@H]2CO)CC1 95359704 CWBCPIFHZJFOQB-FGZHOGPDSA-N 383.540 1.219 0 50 GDAA COCc1ccc(C(=O)N2CCC(c3nnc(Cn4cncn4)n3C)CC2)o1 96165267 BYEKQZZMSBPXOZ-UHFFFAOYSA-N 385.428 1.214 0 50 GDAA CCNC(=O)N1[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N[C@@H]2CCCC[C@H]21 245229095 NBRFRIXWIPZVJO-BZUAXINKSA-N 376.432 1.995 0 50 GDAA O=C(Cc1cnccn1)N1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 240971709 UBPQQOYHJWXBAR-IYARVYRRSA-N 386.496 1.554 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 244701199 KCARAJQHJJSDPH-LJQANCHMSA-N 385.508 1.845 0 50 GDAA COc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)ccc1O 244724202 MPSFRMBEJDMQGQ-HDJSIYSDSA-N 382.424 1.450 0 50 GDAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCCn3nc(C)cc3C)N=C2O)cc1 252497693 QNEAGVRSXSAANQ-MRXNPFEDSA-N 385.424 1.344 0 50 GDAA Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 298821447 PBRFVTHVAAGYPV-AWEZNQCLSA-N 389.481 1.276 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)NC[C@H](O)CN3CCCCCC3)cc21 534584130 MTPZSKBDXWPDPF-HNNXBMFYSA-N 376.457 1.400 0 50 GDAA O=C1NCCN2CCN(C(=O)Nc3ccnn3Cc3cccc(Cl)c3)C[C@H]12 299803083 WDFNRTDINLSAFF-OAHLLOKOSA-N 388.859 1.233 0 50 GDAA Cc1c(NC(=O)COc2ccc(-n3cnnn3)cc2)cccc1-c1nncn1C 952868865 IJIHXVKQKTZMQE-UHFFFAOYSA-N 390.407 1.784 0 50 GDAA COCCN1C[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CCC1=O 952978217 XRNCPGHLBZIDAQ-MRXNPFEDSA-N 389.496 1.983 0 50 GDAA COCCN1C[C@@H](C(=O)Nc2ccc(OC)c(C(=O)N(C)C)c2)CCC1=O 952984138 IIEKXDSBKALOTN-ZDUSSCGKSA-N 377.441 1.221 0 50 GDAA COc1cc(C)ccc1CN1CCN(C(=O)C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1565529386 TUEYUTBSSXIGFS-SJORKVTESA-N 380.510 1.469 0 50 GDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952992187 ZVKRQHCZVRVWDP-INIZCTEOSA-N 381.498 1.555 0 50 GDAA COc1cccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1OC 268918611 RDEZUKOJYUXHKT-INIZCTEOSA-N 390.484 1.152 0 50 GDAA CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 170610519 PIVNAMJZRQNBFT-UHFFFAOYSA-N 384.479 1.858 0 50 GDAA CN(C[C@@H]1Cc2ccccc2CN1C)c1cncc(C(=O)N2CCOCC2)n1 1506418382 XGECSSVVMZNIMR-SFHVURJKSA-N 381.480 1.442 0 50 GDAA CN(Cc1cccc2cnccc12)C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 1506424326 JVLLPAWFNUGIQY-KRWDZBQOSA-N 375.494 1.702 0 50 GDAA NC(=O)c1cccnc1N1CCC[C@@H](CNC(=O)Cn2cc3ccccc3n2)C1 1506407866 LPCUCLHERFOGRK-HNNXBMFYSA-N 392.463 1.563 0 50 GDAA Cc1nc[nH]c1CN(CCO)C(=O)[C@@H](C(C)C)n1cnc2ccccc2c1=O 1704313667 MJYFLPXQAVXGRB-GOSISDBHSA-N 383.452 1.646 0 50 GDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)c5onc6ncccc56)(C4)C2)C3)n1 1775980005 RABKLACFEFTYMQ-IJKBLAIYSA-N 379.424 1.996 0 50 GDAA COC(=O)[C@@H](CCSC)NC(=O)c1cc(COc2ccc(C)nc2)on1 11938517 BHOROZZBKKNWOZ-CQSZACIVSA-N 379.438 1.982 0 50 GDAA CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15070336 ACLACEDXHQCGMT-LJQANCHMSA-N 399.491 1.817 0 50 GDAA COc1ncccc1CN1CCC2(CC1)CC(=O)N(Cc1ccnn1C)CCO2 1857681811 OMLAYNPBAOOTIY-UHFFFAOYSA-N 399.495 1.607 0 50 GDAA O=C(c1ccns1)N1CC[C@]2(C1)Cn1c(nnc1Cc1cccnc1)CO2 1857683567 WRDOJPJVRCUOCE-SFHVURJKSA-N 382.449 1.536 0 50 GDAA COc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2nccn2C(C)C)ccn1 1857691035 XWYHKLVKWNDTEE-HOTGVXAUSA-N 383.452 1.883 0 50 GDAA Cc1nnc(N2CCC(C3CCN(C(=O)[C@@H]4COCCN4C)CC3)CC2)o1 1857712822 IHKXYQSYNLGMEB-KRWDZBQOSA-N 377.489 1.164 0 50 GDAA CC(C)NC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnc[nH]3)CC(=O)N2[C@H]1c1ccccc1 1857732603 XWJUTHCPNRBXLB-BXWFABGCSA-N 395.463 1.349 0 50 GDAA O=C(/C=C/c1ccccc1)N[C@H]1CC[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O 1875243218 WTRAYATZUDXMCT-KOQZAGCLSA-N 396.491 1.749 0 50 GDAA CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2OC)[C@@H](O)C1 1875249091 FUVMMIPYJIHFBH-QEJZJMRPSA-N 394.468 1.450 0 50 GDAA O=C(O)[C@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 238071575 SGJCXGUDNGRQOR-GFCCVEGCSA-N 380.198 1.235 0 50 GDAA Cc1cc(-n2cccn2)ccc1CN1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 248155134 LRAJOQOXZWFSEA-PMACEKPBSA-N 384.524 1.943 0 50 GDAA O=C(O)CNC(=O)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1 262482965 KRVJGKRODSAVOQ-OAHLLOKOSA-N 399.403 1.727 0 50 GDAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 828569202 LWUYWEMQRDPFMH-HZSPNIEDSA-N 386.489 1.793 0 50 GDAA CC(C)(CNS(C)(=O)=O)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 830215547 MCIWSHSDSKMPCD-UHFFFAOYSA-N 396.435 1.225 0 50 GDAA C[C@H](N)c1cn(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)nn1 881084825 ITMKAWVMAOVUAM-INIZCTEOSA-N 378.480 1.795 0 50 GDAA O=C(Nc1nnc(CCN2CCOCC2)s1)c1cnc(-c2ccncc2)nc1 2100554852 CNRXANUFSKSQMC-UHFFFAOYSA-N 397.464 1.517 0 50 GDAA O=C1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)C(=O)N1 1857798275 YQYJSNSLOSTYTB-HNNXBMFYSA-N 395.346 1.161 0 50 GDAA Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCO 6665371 HZTDLRLOHGKMQB-JXMROGBWSA-N 393.447 1.472 0 50 GDAA Cc1conc1C(=O)N1CCOC2(CCS(=O)(=NC(=O)C3CCC3)CC2)C1 2325785261 MPNGWVQKLIPBJI-UHFFFAOYSA-N 395.481 1.783 0 50 GDAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCC[C@@H]1Cc1nccn1C 2325809707 AHWCTQMSBOGRFI-MRXNPFEDSA-N 379.468 1.993 0 50 GDAA CCn1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(CN(C)C)o2)n1 2325829197 BSPTYTHGNHFWNO-KBPBESRZSA-N 386.456 1.000 0 50 GDAA Cc1nn(C)cc1C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)C(=O)O 2325877205 MKLRNWDZNMCAPC-INIZCTEOSA-N 386.383 1.877 0 50 GDAA O=C1CN([C@@H]2c3ccccc3C3(CCN(c4ncccn4)CC3)[C@H]2O)CCCN1 20916929 RFUYPASNFVULRT-UXHICEINSA-N 393.491 1.252 0 50 GDAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)C1=O 2356154763 ITMZFWSNOWFIQW-FQEVSTJZSA-N 382.468 1.883 0 50 GDAA O=C(CCc1cc(O)no1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356166657 HSJKOXWOVWFLMQ-AVYPCKFXSA-N 391.468 1.600 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 4755530 ZZOXIWCRFTYLKS-UHFFFAOYSA-N 390.446 1.301 0 50 GDAA COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 55245507 WNAPMUQXLDDNHM-AWEZNQCLSA-N 382.376 1.484 0 50 GDAA Nc1nc(NC2CC2)cc(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 106974308 LWKAWUVEPPAZQT-QGZVFWFLSA-N 386.475 1.845 0 50 GDAA CC/C(NCCN(CC)CC)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 100830518 LQQWRJYGNQPDOP-MSUUIHNZSA-N 388.468 1.874 0 50 GDAA CN(CCc1ccccn1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 20321427 VQVBAWLTNFDUBX-KRWDZBQOSA-N 378.498 1.535 0 50 GDAA c1cc2n(c1)CCN(Cc1cn(CC3CCN(c4cnccn4)CC3)nn1)C2 23429601 GSNDQGUMHNZCHR-UHFFFAOYSA-N 378.484 1.802 0 50 GDAA CCn1ncc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)c1C 67817272 VXDJCFGTIRCNRS-SFHVURJKSA-N 391.560 1.650 0 50 GDAA CCC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 252587643 ZPDJNRAZUMYGQL-IVCQMTBJSA-N 395.506 1.507 0 50 GDAA COC(=O)C[C@H](c1cnn(C)c1)c1oc(CN2CCCCC2)cc(=O)c1O 218127954 QMSFMYVDVOBSBR-OAHLLOKOSA-N 375.425 1.760 0 50 GDAA CCO[C@H]1C[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)C12CCOCC2 368659250 MXENGMNECGXHDI-NEPJUHHUSA-N 382.379 1.755 0 50 GDAA COc1ccnc(Cn2nc([C@H]3CCCNC3)n(-c3ccccc3)c2=O)c1OC 71776226 DLQOEHSNYXEPLL-HNNXBMFYSA-N 395.463 1.962 0 50 GDAA COCCN1C[C@]2(CCCN(CC(=O)NCc3ccccc3F)C2)CCC1=O 77565702 NFSBUWYYAIDAHH-OAQYLSRUSA-N 391.487 1.793 0 50 GDAA C[C@H]1CCCN(S(=O)(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 130780422 CCTPHSQFANNYJU-HNNXBMFYSA-N 383.489 1.950 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1 286418058 HALRFQSXDOKINV-CQSZACIVSA-N 384.484 1.474 0 50 GDAA CC(C)(O)c1cn(C2CCN(C(=O)CCC(=O)N3CCCCCC3)CC2)nn1 48351494 IECWMGFVNOCRQQ-UHFFFAOYSA-N 391.516 1.852 0 50 GDAA COc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1 82107249 OOESEYPFZVPKAP-NRFANRHFSA-N 379.416 1.311 0 50 GDAA Cn1cccc1-c1cc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N2CCCC2)[nH]n1 82114546 MGLHZDNIQXJTQL-KBPBESRZSA-N 388.447 1.773 0 50 GDAA CN1C(=O)[C@@H](CC(=O)N(CCc2ccccc2)Cc2cccnc2)N(C)C1=O 91562997 KKFJEDPIDGKMFQ-GOSISDBHSA-N 380.448 1.935 0 50 GDAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCC(Oc2ncccn2)CC1 91595566 IMSWVXRFWDOUQD-UHFFFAOYSA-N 378.392 1.718 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 95392150 MQEWVCWXVVAOBR-SFHVURJKSA-N 375.469 1.831 0 50 GDAA CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccccc2OC)CC1 239654490 BNZVSHUSEVUTLL-BXWFABGCSA-N 386.496 1.926 0 50 GDAA Cc1cc(=NC(=O)Cc2cc(F)c(F)cc2F)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159141 DKIPQILQKUQSFN-LLVKDONJSA-N 387.383 1.572 0 50 GDAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3cnc[nH]c3=O)C2)cc1 95518286 ZVFOFQBXBODZIL-KRWDZBQOSA-N 384.480 1.805 0 50 GDAA COC(=O)c1ccc2c(=O)[nH]c3c(S(=O)(=O)c4ccccc4)nnn3c2c1 232313925 ISWONQFPKSKJDP-UHFFFAOYSA-N 384.373 1.190 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnn(-c3ccccn3)c2C)C1 252537211 KSLSJVWNFKDTPY-HDJSIYSDSA-N 381.440 1.355 0 50 GDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](CO)c3ccccc3)N=C2O)cc1 252537999 MNICJZFMGKSSRK-QZTJIDSGSA-N 397.431 1.560 0 50 GDAA C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 252695280 XPSGQCLQFPTXGQ-XJFOESAGSA-N 399.488 1.412 0 50 GDAA biogenic CNS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)ccc1OC 299377631 UFNAOPBMLZWKSN-YUTCNCBUSA-N 396.465 1.461 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)NC[C@@H](O)CN3CCCCCC3)cc21 534584131 MTPZSKBDXWPDPF-OAHLLOKOSA-N 376.457 1.400 0 50 GDAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(Cl)cn2)c1 299786114 MVHFOJBULLUNEL-INIZCTEOSA-N 386.839 1.479 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)CC1 823764863 NEYOEQPUMAVLJN-KRWDZBQOSA-N 381.498 1.522 0 50 GDAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 268934707 MNARSVXSEZENAQ-AEFFLSMTSA-N 384.436 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376.497 1.390 0 50 GDAA O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NCCc2ccccn2)c1 95519088 HPHAVGLDGGSPQQ-INIZCTEOSA-N 375.450 1.121 0 50 GDAA O=C1CCCN1CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 95531617 PTABMVMWUOCYHN-JOCHJYFZSA-N 398.507 1.478 0 50 GDAA CCc1nc(C)sc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 230576552 OASJCDJUYBGKHN-MRXNPFEDSA-N 377.514 1.738 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3ccc(Cn4cccn4)cc3)C[C@@H]2C1 95367297 NHEVJYMYKLMYNX-IFMALSPDSA-N 398.507 1.363 0 50 GDAA CC(C)=CCN1CCN(CC(=O)NCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95497841 BDSUFSHTNNFXRM-MOPGFXCFSA-N 391.537 1.052 0 50 GDAA NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95502252 GAXVRZVFXIHDSQ-SFHVURJKSA-N 385.464 1.556 0 50 GDAA CCCCc1nc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)c[nH]1 96139674 NBNKSUIVHBCAKO-YWZLYKJASA-N 376.501 1.750 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CC2Cc3ccccc3C2)C1 244715744 LBGRIKGQXRIHOI-HDICACEKSA-N 384.480 1.584 0 50 GDAA CO[C@H]1CCCN(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)C1 534585968 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COC(=O)[C@@H](Cn1cc(Cl)cn1)NC(=O)C[C@@H]1OCCc2ccccc21 1875382974 AJOKTRACVLMWMS-CVEARBPZSA-N 377.828 1.898 0 50 GDAA Cn1nccc1CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1c(Cl)cnn1C)CC2 1775990325 FVFYLASIFOWBMX-KBXCAEBGSA-N 390.875 1.303 0 50 GDAA Cc1[nH]nc(CCC(=O)N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)c1C 2100548160 WIHPJRNGTUBGLS-WIYYLYMNSA-N 385.464 1.866 0 50 GDAA O=C(NCc1ccc(CNC(=O)C(F)(F)CO)cc1)c1nc[nH]c2nccc1-2 2325861844 ACMFKSZFHCODCM-UHFFFAOYSA-N 389.362 1.083 0 50 GDAA O=C(C[C@H]1CCOC1)N[C@@H]1CC2(CN(C(=O)c3cncc(F)c3)C2)n2ccnc21 2332237709 IGEQBMDDSKAWAJ-CZUORRHYSA-N 399.426 1.256 0 50 GDAA CCc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 1151215 WTUVBSODLHAIOD-UHFFFAOYSA-N 387.465 1.264 0 50 GDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc(N4CCN(C)CC4)nc3C)C[C@H]21 2356151025 NASXCAKHMLFYMB-CDXJDZJCSA-N 387.528 1.550 0 50 GDAA Cn1cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)ccc1=O 2356166496 AEFXFGOVLDIIRJ-CBGDNZLLSA-N 387.480 1.286 0 50 GDAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NCC(C)(C)N)cc2)C1 417154699 KSAGPQUOLPOYJM-CQSZACIVSA-N 382.530 1.644 0 50 GDAA O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20485736 IDQJXHJCUIFGLO-UHFFFAOYSA-N 375.450 1.174 0 50 GDAA CCN1CCN(C[C@H](O)COc2ccc(CNCC(C)C)cc2OC)CC1 20780237 FZOPVXAOFUBGHP-IBGZPJMESA-N 379.545 1.818 0 50 GDAA CC1CCN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1 329076226 PYDXZSFGOAXFQW-IRXDYDNUSA-N 387.525 1.241 0 50 GDAA COCC(=O)N1CCC2(CC1)CN(Cc1ccc(C)cc1OC)CCN2C 67690419 CKVRZXHFJQYQEX-UHFFFAOYSA-N 375.513 1.759 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C)CCN1CCc2ccccc2C1 11843346 PJJIEPMNBQUISO-HXUWFJFHSA-N 386.540 1.350 0 50 GDAA Nc1nc(CC(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc(=O)[nH]1 65490212 APXDBZVEEKBAAN-ZWKOTPCHSA-N 378.432 1.425 0 50 GDAA O=C(NCc1ccccc1CN1CCCC1=O)c1cc(N2CCOCC2)ccn1 129367262 ZVPOJEHCDPQFNS-UHFFFAOYSA-N 394.475 1.971 0 50 GDAA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cccc(OCC(F)(F)F)n1 122720479 AAIUKPYUMQVKBP-UHFFFAOYSA-N 395.341 1.906 0 50 GDAA COc1ccc(C)cc1/C=C/c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1 328634378 MSXIJTHNDMTPTN-KEDPEKRHSA-N 379.438 1.890 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCC(=O)N1CC1CC1 71765546 XRWLSZWYTHAIQO-KRWDZBQOSA-N 393.509 1.443 0 50 GDAA Cc1c[nH]c(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)c1=O 71754434 YFIGRJIOIPODKN-QGZVFWFLSA-N 386.540 1.947 0 50 GDAA CN(C)CCNC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77421242 QTCQFYWBILSSHK-UHFFFAOYSA-N 389.843 1.625 0 50 GDAA CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cnc3n[nH]c(C)c3c2)cc1 156088269 GKMPJEBAROUIBG-HNNXBMFYSA-N 381.436 1.948 0 50 GDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)cc1C 77380548 ZIBPJKPXPXEBRJ-JYLXEMOASA-N 392.459 1.972 0 50 GDAA CO[C@H](CN)CC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 262970141 XLAQHFVPEOBATA-LPHOPBHVSA-N 376.478 1.660 0 50 GDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1CCOc2ccccc2C1 82106448 IQGRQORZYYZLKD-UHFFFAOYSA-N 378.432 1.776 0 50 GDAA O=C(CN1CCN(CCO)CC1)NCC(=O)c1ccc(-c2ccccc2)cc1 45068620 DQMOIQYZZHZCPN-UHFFFAOYSA-N 381.476 1.262 0 50 GDAA Cc1ncc(CN2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)cn1 426669150 REUJHLOEIHDKNK-KRWDZBQOSA-N 385.516 1.250 0 50 GDAA NC(=O)c1ccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1Cl 96179763 WZFVGTZLBANMAN-CQSZACIVSA-N 380.876 1.749 0 50 GDAA Cc1cnccc1N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95392701 IZVZMGSFXRLZLS-GOSISDBHSA-N 379.464 1.482 0 50 GDAA Cc1nc2ccc(C(=O)NCc3cc4n(n3)CCN(C(=O)N(C)C)C4)cc2o1 91350567 WEACRJLSGAGGTD-UHFFFAOYSA-N 382.424 1.760 0 50 GDAA COc1ccccc1-n1cc(C(=O)NCc2nc(-c3ncccn3)no2)cn1 91620448 SIXAOMNXUDUWGS-UHFFFAOYSA-N 377.364 1.651 0 50 GDAA O=C(Nc1cncc(F)c1)c1cccc(S(=O)(=O)NCc2ccno2)c1 97679917 HYYZQSQIRVMNBZ-UHFFFAOYSA-N 376.369 1.940 0 50 GDAA O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 180885839 GFMPMYYTVUFRLM-ZDUSSCGKSA-N 398.373 1.540 0 50 GDAA Cn1c(C(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(=O)n(C)c1=O 95515146 AJVFQAIGJSQMGE-OAHLLOKOSA-N 385.468 1.100 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1F 181403817 OJPYAYVBJXDDBG-UHFFFAOYSA-N 390.444 1.391 0 50 GDAA COC(=O)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(OC)c(OC)c1 245253901 REBRKENGHBZAID-XJKCOSOUSA-N 379.409 1.925 0 50 GDAA NC(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)nn1-c1ccccc1 299747712 DUBJLJRJCPQXAS-NUTKFTJISA-N 382.420 1.829 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1OC 299741862 HIWLKARHKLCRQS-MRVPVSSYSA-N 394.243 1.562 0 50 GDAA O=C(CN1CCCC[C@H]1c1nc[nH]n1)NCc1cccc(C(=O)NC2CC2)c1 182702483 HKDHVMFVKDBVON-KRWDZBQOSA-N 382.468 1.540 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 299749415 KGBASERNBMOTKJ-ZLENFMNRSA-N 382.420 1.618 0 50 GDAA O=C(NCc1cn2ccsc2n1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1940198457 VYNVENCFQIUDDG-SJORKVTESA-N 397.460 1.538 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1 827831117 UDQMFFMTIRHKPJ-MRXNPFEDSA-N 376.420 1.925 0 50 GDAA C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)C2CC(=O)C2)CC1 1456778637 IPFHVIJQFYRCJP-SFHVURJKSA-N 395.297 1.780 0 50 GDAA Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)c2cnc3ccccc3n2)C1 952861898 LOCAGJQONRGHKJ-AWEZNQCLSA-N 394.435 1.532 0 50 GDAA O=C(Cn1ccccc1=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565515747 DPCZJTFOZLDRGX-XLIONFOSSA-N 377.488 1.939 0 50 GDAA O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1ccc(-n2cccn2)cc1 1565525863 KSJGDFNNLFLAPJ-PMACEKPBSA-N 377.448 1.633 0 50 GDAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1cnc(O)nc1O 1565511848 MEKFIFFGBQPNQU-CJNGLKHVSA-N 382.420 1.194 0 50 GDAA NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1465355416 GLRJJDFSFQNKSR-AWEZNQCLSA-N 398.872 1.296 0 50 GDAA CCOc1ccccc1N1CCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 279205993 VNCQHCDWYWZLCK-QFIPXVFZSA-N 399.491 1.655 0 50 GDAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(=O)(=O)[C@H]1CCOC1)CC2 275082047 FAUSUFKNKQYSCA-GXTWGEPZSA-N 385.438 1.196 0 50 GDAA CC(C)[C@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)N1CCCS1(=O)=O 187215899 JBYNERNWHCUDOW-MRXNPFEDSA-N 391.497 1.995 0 50 GDAA COc1cc(S(=O)(=O)N[C@H]2CCCNC2)c(OC)cc1Br 193233990 ICIBDQKEXNUPQT-VIFPVBQESA-N 379.276 1.497 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(CCO)Cc2nccs2)OCC(=O)N1C 1529172326 FFQAQXCKEAOWSX-MSOLQXFVSA-N 389.477 1.371 0 50 GDAA COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1OC 1170452 GQIBQQLWRFNJJK-ONEGZZNKSA-N 399.421 1.287 0 50 GDAA Cn1ncnc1CCNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704311613 NWRJQZIRTZLLLA-UHFFFAOYSA-N 382.424 1.279 0 50 GDAA Nc1nnnn1CC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 11815087 OEJWJSYRAGUNGD-HXUWFJFHSA-N 383.500 1.203 0 50 GDAA COCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2OC)C1 12372961 CBIBWOSQEKHZKX-GOSISDBHSA-N 377.529 1.944 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCC2)c(OC)c1 12703821 FFVCYRLKOUUYSX-QGZVFWFLSA-N 375.469 1.453 0 50 GDAA O=C(c1ccco1)N1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 18266743 VIBTXOKSWZEOQK-AWEZNQCLSA-N 397.387 1.098 0 50 GDAA NS(=O)(=O)N1CCC2(CC1)OCCc1cc(C(=O)NC3CCC3)sc12 1857688449 KDBCIYWONAZSNE-UHFFFAOYSA-N 385.511 1.098 0 50 GDAA Cc1nn(CCNC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)c(C)c1C 1857712502 BUQKUWGRLSBCNP-AWEZNQCLSA-N 390.513 1.953 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccc(O)n3)CC(=O)N2[C@H]1c1ccccc1 1857733226 ALUYKZBMKLURAX-DOXZYTNZSA-N 395.415 1.374 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC2)cn1 1857738939 FSHPJYFGBYAKFL-CYBMUJFWSA-N 387.465 1.248 0 50 GDAA O=C1N[C@@H]2COC[C@H]1CN(S(=O)(=O)c1cccc3cccc(Cl)c13)C2 1875242117 NYJSRYDAFBPYFI-OLZOCXBDSA-N 380.853 1.629 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N3CCN(CC)[C@H](c4ncc[nH]4)C3)cc12 328629828 PFFSQIFPKMFDCM-HNNXBMFYSA-N 390.469 1.576 0 50 GDAA CN[C@@H]1CCCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 133642068 JXOUWODPGWGSQZ-LLVKDONJSA-N 390.303 1.229 0 50 GDAA COCC(=O)N1CC[C@@]2(O)CCN(C(=O)Cc3cccc(Cl)c3)C[C@H]2C1 247822050 IICLFHPATPLEBJ-KXBFYZLASA-N 380.872 1.341 0 50 GDAA COC[C@@H]1CN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)CCO1 266440614 AKLQYZCRCBPXEM-SFHVURJKSA-N 384.436 1.891 0 50 GDAA O=C(NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1ccc2nnc(O)n2c1 801348233 RAZAVKUTHFOHFJ-CQSZACIVSA-N 379.376 1.293 0 50 GDAA CNc1cnc(-c2noc([C@H]3CCc4nnn(C5CCN(C)CC5)c4C3)n2)cn1 952895693 VZEGJWSQRZEDCZ-LBPRGKRZSA-N 395.471 1.699 0 50 GDAA Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)c1cc(=O)n(C)o1 952888373 XLXJVTLBNXZVGF-LLVKDONJSA-N 388.346 1.568 0 50 GDAA COc1ccccc1[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CCCO1 1875286133 GVHNOWFPAKOTQL-SJLPKXTDSA-N 389.496 1.632 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 1875365751 VSATZPVMOIEKCN-QGZVFWFLSA-N 388.443 1.973 0 50 GDAA N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Oc4ccc(F)cc4)s3)C[C@@H]12 1875394053 SURKQQOCCMZIQZ-GUTXKFCHSA-N 396.465 1.876 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CN[C@@H]2CCCc3cc(F)cc(F)c32)ncn1 1875400001 OKSNMSKDIYDYDV-IIAWOOMASA-N 375.423 1.944 0 50 GDAA Cc1cccc(N2CC[C@@H](NC(=O)N3C[C@H](S(C)(=O)=O)CC3(C)C)C2=O)c1 1875405974 TURWWIZVKWNFFN-HZPDHXFCSA-N 393.509 1.707 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)ccc21 1875403469 URRQCNMSBWLCDG-FDQGKXFDSA-N 383.452 1.231 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCC[C@@H](OC2CCC2)C1 888094036 YIIFSUUUNJCISW-GDBMZVCRSA-N 385.530 1.686 0 50 GDAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2CC(C)(C)CN1CCOCC1 1073328639 QMBRKKRGGSJDMS-MOPGFXCFSA-N 375.561 1.973 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCOc2cccnc2)OCC(=O)N1C 2100539284 AYIIRMGXERTWIF-UXHICEINSA-N 383.448 1.874 0 50 GDAA Cc1cccc(-c2nc(N[C@H]3CCC(=O)NC3=O)cc(N3CCOCC3)n2)c1 1857797718 DGLAZEQCEZAVFB-HNNXBMFYSA-N 381.436 1.506 0 50 GDAA CN1CCN(C(=O)Cn2cc(NC(=O)c3ccnc4ccsc34)cn2)CC1 2325769720 CEKAXVIMPJLLPL-UHFFFAOYSA-N 384.465 1.519 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cccc2c1CCOC2 2325785398 WNZFAIKIZMLEKL-RBUKOAKNSA-N 383.496 1.609 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)C1 2325888687 QUZFUXBVVUALBD-OAHLLOKOSA-N 387.455 1.971 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)C1 2325889207 FNOXNDDNSBMCEV-UONOGXRCSA-N 377.514 1.717 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1cccc(Br)c1 1169925 FCGLALCHVYLPST-UHFFFAOYSA-N 398.282 1.927 0 50 GDAA CN1CC(=O)N(CCS(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O 2356142108 DYVVFUDRGNTARM-GOSISDBHSA-N 386.473 1.372 0 50 GDAA C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C(=O)C(=O)N1Cc1ccc2c(c1)OCO2 2463855 OTZGLDYIMYMOAF-CYBMUJFWSA-N 396.399 1.904 0 50 GDAA CCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 55558722 AMGLNJFMMNZYJU-UHFFFAOYSA-N 382.468 1.156 0 50 GDAA Cc1nc(NCCNC(=O)c2c(F)cccc2F)cc(N2CCOCC2)n1 67612710 AQZHEGWGKSXBOD-UHFFFAOYSA-N 377.395 1.742 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNCc3cccnc3)C2=O)c1OC 67675354 WZGGBQILYPCAIA-OAQYLSRUSA-N 385.464 1.742 0 50 GDAA O=C(CC1=CCNCC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67787772 SKKITQPCQLXWRC-UHFFFAOYSA-N 381.480 1.652 0 50 GDAA Cn1c(-c2cc3n(n2)CCN(C(=O)CCN2CCCO2)C3)nc2ccccc21 65393970 YACGZOIWMJSPNL-UHFFFAOYSA-N 380.452 1.806 0 50 GDAA COCCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23375244 FFTPEKAXRUHZLH-GOSISDBHSA-N 389.496 1.560 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(C(=O)CCn1c(=O)[nH]c3ccccc31)C2 67714151 PTHDBBCEUZPJNA-UHFFFAOYSA-N 383.408 1.135 0 50 GDAA CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(c3cnccn3)CC2)n1 328638987 PHVZDBMTTQMRRR-QFBILLFUSA-N 383.500 2.209 0 50 GDAA COCCOc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C)no3)O2)cc1 328608680 AYCLGZQYQOKRFM-ZBFHGGJFSA-N 397.453 1.602 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1N=c1ccnc(N2CCC(N=c3cccn[nH]3)CC2)[nH]1 328631105 KATWLUNZLUTPHW-XLIONFOSSA-N 397.527 1.807 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1cnn(C)c1C 6527554 AFCTVNRHVDNEFN-KAMPRCONSA-N 398.444 1.043 0 50 GDAA Cn1cc([C@@H](O)CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cn1 363340115 JEPFEUVTEAWJJW-SFHVURJKSA-N 375.448 1.556 0 50 GDAA O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)C1 333404587 CCVMPYJCHRNEOW-XDBTUQKASA-N 386.467 1.835 0 50 GDAA O=C(c1cc(Cl)cc2cccnc12)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 333782832 VSSBKIZFKDJCHA-HUUCEWRRSA-N 380.853 1.916 0 50 GDAA CS(=O)(=O)c1ccc(CN2CCCn3nc(CCC(=O)O)cc3C2)cc1 72474596 ZUKDVQQAUISEBA-UHFFFAOYSA-N 377.466 1.710 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 72410973 GRFWRVUERXKACE-SJORKVTESA-N 394.493 1.110 0 50 GDAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)COc3cccnc3)CC2)C1 71759118 WGRVFIJMTUXUQX-MRXNPFEDSA-N 386.496 1.442 0 50 GDAA CCc1nnc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 82139102 LQKHKYMFXRMXHW-MRXNPFEDSA-N 391.516 1.167 0 50 GDAA O=C(CCCn1cnc2ccccc2c1=O)NCc1cc2n(n1)CCCNC2 82120672 XCRCJPPCRKEUGQ-UHFFFAOYSA-N 380.452 1.183 0 50 GDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cnc3ccccc31)C2 220676800 UOFCRCKLFNCJLV-HXUWFJFHSA-N 391.435 1.090 0 50 GDAA Cc1ccc(OCC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1C 426523488 NMDJTYPVYGDMFT-QZTJIDSGSA-N 375.494 1.890 0 50 GDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3ncccc13)C2 220049361 RBPNZSFYFGRDQB-HXUWFJFHSA-N 379.464 1.959 0 50 GDAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc3cccc(C)n3c1=O)C2 221280558 GAFZWADGQWQGSQ-QGZVFWFLSA-N 381.436 1.689 0 50 GDAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@H](C)c2nnn[nH]2)CC1 95528335 OOUIWVHFWDECEO-SNVBAGLBSA-N 392.847 1.734 0 50 GDAA O=C1NC[C@]2(CCCN(C(=O)NCCc3nc(O)c4ccccc4n3)CC2)O1 426401967 PRKXUFBUAQEPMK-LJQANCHMSA-N 385.424 1.552 0 50 GDAA CN1CCN(C[C@@H](O)COc2ccc(CN3CC(c4ccccn4)C3)cc2)CC1 95524527 KLJMRMRMYHXVET-OAQYLSRUSA-N 396.535 1.668 0 50 GDAA CN(C)C(=O)CCC(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95501357 BTMUWTLSXWJMNM-AWEZNQCLSA-N 375.498 1.962 0 50 GDAA Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NC[C@H]4COCCO4)C3)nc2)n1 245039120 OGEGLOMZIXACNH-HOTGVXAUSA-N 387.440 1.188 0 50 GDAA O=C(CN1CCOCC1)N1CCN(C(=O)c2scnc2C2CCCC2)CC1 184256513 KNLBOVJKSNQACU-UHFFFAOYSA-N 392.525 1.417 0 50 GDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCc2cc(C(F)(F)F)ccn2)C1 297872662 VDHDWLXIQLIWLM-ZDUSSCGKSA-N 394.419 1.366 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)O)C3)CC2=O)cc1OC 299743973 QFVVREOWOCRHSQ-STQMWFEESA-N 376.409 1.380 0 50 GDAA Cc1cc(-c2cccc(C(=O)NCc3ncc[nH]3)c2)nc(N2CCOCC2)n1 534578919 RFFOSPPQRSBXGJ-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CN(C)C(=O)CCc1ccc(NC(=O)NCCCN2CCC[C@@H](O)C2)cc1 299774780 IHTLDDJXAWPRBG-GOSISDBHSA-N 376.501 1.676 0 50 GDAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cnn(C)c3C)CC2)cc1 293261560 HAQQYPYOWAZKIX-UHFFFAOYSA-N 376.482 1.620 0 50 GDAA Cc1cccn2c(CC(=O)NC[C@H](c3ccccn3)N3CCOCC3)cnc12 670458666 OLNOMJRMWVMZOY-LJQANCHMSA-N 379.464 1.770 0 50 GDAA COc1ccc(NC(=O)c2cccnc2N2CC[C@H](CO)[C@H](O)C2)c(OC)c1 1529166939 AYOLFEVGZGVAPA-CXAGYDPISA-N 387.436 1.531 0 50 GDAA Cc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C(F)(F)F)o1 274621833 UBKBYVDWARAPLP-UHFFFAOYSA-N 389.374 1.223 0 50 GDAA CC(=O)NC[C@H]1CCn2ncc(C(=O)NCc3ccnc(OC(C)C)c3)c2C1 277238975 OUTPLGYDCXMNKU-INIZCTEOSA-N 385.468 1.694 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CNC(=O)c1ccccc1 1323222005 SMJIEPJSVCILOV-OAHLLOKOSA-N 390.465 1.228 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1506400136 UJBKTLHULKLBDR-HNNXBMFYSA-N 392.419 1.558 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N[C@@H]3C[C@@H](C(=O)O)N(C)C3)c(C)s2)n[nH]1 1506408674 OGNSBMWLYKGMLX-PWSUYJOCSA-N 384.483 1.191 0 50 GDAA Cc1ccccc1N1CCC(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)CC1 1529177673 CPSLZAHDDDRLHF-QFBILLFUSA-N 381.542 1.148 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(C)nn(C)c2C)cc1OC 1529158598 HBLUPVALXMEPCC-WOJBJXKFSA-N 375.469 1.989 0 50 GDAA COc1cccc(-c2noc(CCCC(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)n2)c1 1704298213 HGGZYPANLRSDBJ-LSDHHAIUSA-N 389.408 1.362 0 50 GDAA C[C@]1(O)CCOC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)C1 1704337989 JILVRZICYQMVLK-IBGZPJMESA-N 378.444 1.868 0 50 GDAA CN(CCNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1)S(C)(=O)=O 1772814634 KVKSOABIZSUCKS-CYBMUJFWSA-N 394.522 1.318 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 11880074 PJKUXZIEKAIRDJ-INIZCTEOSA-N 385.468 1.075 0 50 GDAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14748091 OQNSTIBECCHGIV-OAHLLOKOSA-N 392.569 1.751 0 50 GDAA Cc1nn(C)cc1CN(C)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15074138 GFTRFXPPOIHVCN-FQEVSTJZSA-N 392.450 1.992 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 15671223 XRRQREYCJQAVHN-UHFFFAOYSA-N 391.497 1.371 0 50 GDAA CS(=O)(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19901788 KMXDQDHZSNNVBL-UHFFFAOYSA-N 387.461 1.013 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC[C@@H]1O 1857737860 HAQOOLLPRRDSAC-PXNSSMCTSA-N 381.469 1.627 0 50 GDAA COc1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4OC)cc(Cl)c1OCC(N)=O 377166378 ZOOYSYNIKNBHIW-VVDOYKMISA-N 394.855 1.708 0 50 GDAA O=C(CC1(N2CCOCC2)CCCC1)NCCNC(=O)c1c(F)cccc1F 265504052 HRDAXVQAFYCNIE-UHFFFAOYSA-N 395.450 1.846 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(CCCS(=O)(=O)N(C)C)C1)CC2 1704344154 ONMJTYZBFITBNG-GOSISDBHSA-N 381.546 1.104 0 50 GDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 1875386317 MTNBQSCBCNJFNM-MJGOQNOKSA-N 399.491 1.346 0 50 GDAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)o1 1775957226 JNVZNHIXLHTRNE-BRWVUGGUSA-N 398.463 1.358 0 50 GDAA Cn1cccc1C(=O)N[C@@H]1C[C@H](C(=O)N2CCOc3ccccc3C2)C[C@H]1O 2100555110 MEUQNQVFBFYXMH-LZLYRXPVSA-N 383.448 1.316 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NC(C)C)CC[C@@H]1NC(=O)c1ccccc1-n1cnnc1 2100557445 SPTBXHMGIHIFBN-ZVZYQTTQSA-N 385.468 1.705 0 50 GDAA CC(C)N1C(=O)c2ccc(C(=O)N3CCNC[C@H]3C3CCC3)cc2S1(=O)=O 2325774995 PTAQWZGXQYBGND-INIZCTEOSA-N 391.493 1.454 0 50 GDAA CCC(=O)N1CCOC2(CCS(=O)(=NC(=O)c3nc(C)c(C)[nH]3)CC2)C1 2325775977 XAIHBPDNIHEENU-UHFFFAOYSA-N 382.486 1.436 0 50 GDAA O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)OCc1ccccc1 4143787 JKEUYNGIGFIJMH-UHFFFAOYSA-N 393.378 1.919 0 50 GDAA CC(C)[C@@H](CO)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55370525 MJQYSJWMGPPQKT-MRXNPFEDSA-N 390.459 1.883 0 50 GDAA O=C(c1cccs1)N1CCC(n2cc(CN3CCC[C@@H]3CO)nn2)CC1 23159133 QQINPEPKLOSSNJ-MRXNPFEDSA-N 375.498 1.774 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20213995 NUOFOAHLUSLDEQ-QGZVFWFLSA-N 392.887 1.759 0 50 GDAA O=C(NCc1cccnc1-n1cnc2ccccc21)[C@@H]1CCCCn2nnnc21 67690680 DSIWSCOBMNAWRV-OAHLLOKOSA-N 388.435 1.991 0 50 GDAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccc4c(c3)OCO4)ncn2)n1 67629842 DHJAUTRJGZXMNL-UHFFFAOYSA-N 380.408 1.850 0 50 GDAA CC(=O)Nc1ccccc1NC(=O)CN1CCC([C@@H](O)c2nccn2C)CC1 65436075 PXBOXDNLIBRUML-LJQANCHMSA-N 385.468 1.763 0 50 GDAA Cc1nn(C)c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1Br 654173 GRTGKXUWVYHHEI-LLVKDONJSA-N 387.131 1.912 0 50 GDAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)CN3CSCC3=O)CC2)cn1 328638522 PCLBTMMDFROIJH-AWEZNQCLSA-N 377.514 1.474 0 50 GDAA N=C(O)Cn1cc(C[C@@H]2N=C(O)N(Cc3cc4ccccc4s3)C2=O)nn1 328608349 ACXXNULLPRRMKF-ZDUSSCGKSA-N 384.421 1.896 0 50 GDAA COc1cc2c(cc1CN1CCN[C@H](C(=O)N3CCCC3)C1)OCCCO2 72152316 PMTLNGFDZPCMBI-INIZCTEOSA-N 375.469 1.253 0 50 GDAA Cc1ccn(-c2cc(NCCNS(=O)(=O)c3cc(F)ccc3F)ncn2)n1 72115471 SVYZLQINKVCLJE-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA O=C(C1CC1)N1CCN(C(=O)Nc2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72426132 XUTSTGATXJIJFH-CABCVRRESA-N 397.884 1.592 0 50 GDAA C[C@@](O)(C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1)c1ccccc1 71749812 OUSMBCJPSQVDQS-QHCPKHFHSA-N 399.535 1.876 0 50 GDAA Cn1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)cc1=O 77302394 UMSZFEDQDCJZIR-UHFFFAOYSA-N 383.452 1.044 0 50 GDAA CN(C(=O)CN1CCC(=O)NC1=O)[C@@H]1CCOc2ccc(Br)cc21 333492675 VCXDBQCORINNLO-GFCCVEGCSA-N 396.241 1.673 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C(=O)O)c1 237671391 XAPHKFBFDWCOFQ-ZIAGYGMSSA-N 386.370 1.765 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)c3cc[nH]n3)CC2)C1 71746668 LAODPMCQPVPRPM-MRXNPFEDSA-N 396.495 1.438 0 50 GDAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1 71753664 VGYGUTAASKAPQL-SFHVURJKSA-N 389.496 1.891 0 50 GDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2)n[nH]1 221206830 AETNFVYTBWDNDX-KRWDZBQOSA-N 383.452 1.605 0 50 GDAA CN1CCN([C@H]2CN(C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 426485579 JNFDVKFUOBONCB-HOTGVXAUSA-N 386.418 1.208 0 50 GDAA Cc1cc(=NC(=O)c2ccc3nc(C)c(C)nc3c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159297 VSRZQIRCXKYOBT-HNNXBMFYSA-N 399.476 1.785 0 50 GDAA COc1ccc2c(c1)[C@@H](C(=O)N1CCN(c3ccccc3)C(=O)C1)CC(=O)N2 82170552 AKISNZCIJWPJGX-KRWDZBQOSA-N 379.416 1.996 0 50 GDAA CN(C)CCN1C[C@@]2(CCCN(C(=O)c3cnc(C4CC4)nc3)C2)CCC1=O 91914988 YKNFVGDDVYXKBV-OAQYLSRUSA-N 385.512 1.760 0 50 GDAA Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 293103715 ZNKVRSBNLLTSDB-QDXKXIGTSA-N 389.403 1.276 0 50 GDAA Cc1n[nH]c(-c2cccc(NC(=O)NCCS(=O)(=O)N3CCCC3)c2)n1 95502897 UNGQSAIREPBWSO-UHFFFAOYSA-N 378.458 1.327 0 50 GDAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)CC1 97522195 DFYJIROKVOQKII-MRXNPFEDSA-N 375.469 1.455 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)C2CCN(Cc3ccco3)CC2)C1 95374891 NVWNTBUASPWRJY-HNNXBMFYSA-N 383.514 1.279 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cc(=O)n3cc(Cl)ccc3n1)C2 95378066 RAIJZAVMHXHBSL-CZUORRHYSA-N 389.887 1.926 0 50 GDAA O=C1CC[C@@]2(C(=O)NCc3cccnc3)N1c1ccccc1C(=O)N2C1CC1 181828632 GVEHVTFSYHQOIL-NRFANRHFSA-N 376.416 1.839 0 50 GDAA CN1CCc2[nH]nc(C(=O)N[C@@H](c3ccc4c(c3)CCO4)[C@H]3C[C@@H](O)C3)c2C1 243900930 AXQFWEAYDROLQK-KHYOSLBOSA-N 382.464 1.575 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cs1 240499961 NPNXXHUWFSSGSM-PGUXBMHVSA-N 381.479 1.293 0 50 GDAA Cc1ccc2nc(CN3CCN(S(=O)(=O)N4CCCC4)CC3)[nH]c2c1C 244817027 STBBAHPTSWOPKA-UHFFFAOYSA-N 377.514 1.638 0 50 GDAA CC(=O)N[C@H]1CCCN(C(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)C1 298727601 MFSYFFXBUMLEOJ-FQEVSTJZSA-N 390.503 1.461 0 50 GDAA Cc1nonc1N1CCN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)CC1 1940196513 PKXGRGUKHQHHGV-UHFFFAOYSA-N 392.423 1.389 0 50 GDAA O=C1NCCN2CCN(C(=O)Nc3ccnn3Cc3cccc(Cl)c3)C[C@@H]12 299803082 WDFNRTDINLSAFF-HNNXBMFYSA-N 388.859 1.233 0 50 GDAA COC(=O)C[C@@H](c1c(O)cc(C)n(C)c1=O)c1cc2cccc3c2n(c1=O)CC3 824134557 KUFZLDSFVWFWQW-OAHLLOKOSA-N 394.427 1.965 0 50 GDAA biogenic Cc1ccc(S(=O)(=O)NCCCNC(=O)Cc2c(C)nc(C)nc2O)cc1 827847765 LJKCKZZFRDTMBO-UHFFFAOYSA-N 392.481 1.135 0 50 GDAA Cc1cc(N2CCN(C(=O)c3cncn3C)CC2)nc(-c2ccccc2O)n1 952973793 GKIQKHARDWITMY-UHFFFAOYSA-N 378.436 1.854 0 50 GDAA CN1C(=O)[C@@H](CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)N(C)C1=O 952991333 XFRJYHBREAALPB-OAHLLOKOSA-N 381.392 1.555 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2ccc(C(C)=O)cc2)S(=O)(=O)N=C1C 169771883 HNKSUNSDRBWERL-UHFFFAOYSA-N 393.421 1.296 0 50 GDAA CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2nc(C)c(C)s2)C1 408502355 SKLBPDIEEQUCNP-MFKMUULPSA-N 387.527 1.850 0 50 GDAA Oc1cc(F)cc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 185532199 OWJSGNNYGGFCKV-KRWDZBQOSA-N 387.459 1.917 0 50 GDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2ccccc2F)C[C@@H]1C 189634092 NJWQOADEMBOEIY-ZDUSSCGKSA-N 383.427 1.750 0 50 GDAA COc1ccc(S(=O)(=O)NCc2nnc(SCC(=O)O)o2)cc1Cl 1506396355 RXBXZVWISASTKJ-UHFFFAOYSA-N 393.830 1.387 0 50 GDAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1 1506420731 CDLSAGTZILIMQD-MRXNPFEDSA-N 389.452 1.958 0 50 GDAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)Nc1csc2nc(=O)c(C)nn12 1506422851 RRWNNMRJQHKKJO-JTQLQIEISA-N 385.405 1.533 0 50 GDAA Cc1cc(N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc2cc3c(cc12)CCC3 1529186152 ASCVIQIYIJSTBY-LPHOPBHVSA-N 389.521 1.720 0 50 GDAA COC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12049316 VHMRVVSCXWAQJS-LJQANCHMSA-N 387.524 1.695 0 50 GDAA CC(C)NC(=O)c1cn(C2CCN(C(=O)CSc3ccccn3)CC2)nn1 12218090 LBDYPFIKEYOSQG-UHFFFAOYSA-N 388.497 1.767 0 50 GDAA Cc1ccc(C(=O)NCCc2nnc(SCCN3CCOCC3)n2C)s1 15000112 JINRKKVBGITIDI-UHFFFAOYSA-N 395.554 1.582 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2CO)n1CCc1ccccc1 15063629 FQFPKSFQVCODRZ-KRWDZBQOSA-N 377.510 1.876 0 50 GDAA CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1CCc1ccccc1 19913514 NJUCADBQMCHQPX-UHFFFAOYSA-N 384.484 1.832 0 50 GDAA O=C([C@H]1CC[C@H](NC2CCOCC2)[C@@H](O)C1)N1CCN(c2ccccc2)CC1 1857693411 WGJYMIGGXWAOMA-YYWHXJBOSA-N 387.524 1.633 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2=O)s1 1857697772 MAJHVYHNVZEIGD-CQSZACIVSA-N 399.476 1.643 0 50 GDAA CCc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4nonc4C)[C@H]4CC[C@]3(C2)O4)nc1 1857734670 ZKWBOGPLVZLCQE-NRTGNBEESA-N 384.440 1.144 0 50 GDAA O=C(c1cn(CC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c2ccccc12)C1CC1 1857735224 NOIOARKHLORXMY-GCJKJVERSA-N 393.443 1.794 0 50 GDAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)NCCc3cscn3)C[C@@H]2O)no1 1875245000 GBAKWDKGUXSNOV-WHOFXGATSA-N 378.454 1.058 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(C(=O)C3CC3)C[C@]23CC[C@H]1O3)c1cncc(Cl)c1 1875246398 FOOXKXHCHZKIGV-WFXMFSGNSA-N 375.856 1.881 0 50 GDAA Cc1c(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cnc2cc(=O)[nH]n12 210068415 HHSLSSXQCBEBSO-HIFRSBDPSA-N 396.403 1.050 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCCOCc1ccccc1)C2 247559047 YGXFQUWOZWTKSZ-MSOLQXFVSA-N 380.510 1.866 0 50 GDAA Cc1ccc(CNC(=O)c2cn(CCNC(=O)[C@@H]3CCOC(C)(C)C3)nn2)cc1 14997832 RCYWSMPMADMCAU-QGZVFWFLSA-N 399.495 1.838 0 50 GDAA Cn1c(C(F)F)nc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 466929175 OOCMVVYMJNYNOB-HNNXBMFYSA-N 392.406 1.974 0 50 GDAA Cc1cc(Oc2ccccc2)nc(N2CCN(c3cncc4nnnn34)CC2)n1 1875273583 MKQLSUOKKHTKNK-UHFFFAOYSA-N 389.423 1.737 0 50 GDAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C12COC(C1)C2 1875293724 AJCTVVKQCSMFCK-LWOUBBNUSA-N 389.857 1.738 0 50 GDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CC(COC(F)(F)F)C1 1875294374 GKZGGKOJPZVRTE-NSHDSACASA-N 390.362 1.247 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNCc2cnc3n2CCOC3)N1Cc1ccccc1 1875392631 LEFQDCXJQYRKBW-UTKZUKDTSA-N 386.496 1.155 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cccnc3N(C)C)C2)c1C 1875396836 FJQKSOVDVOIEEG-QGZVFWFLSA-N 397.527 1.625 0 50 GDAA Cc1noc([C@]23CCN(C)C[C@H]2CN(C(=O)c2ccc(-n4ccnc4)cn2)C3)n1 1875392151 PBFCQSDEEMNSRG-YWZLYKJASA-N 393.451 1.304 0 50 GDAA COc1cc(C)cnc1C(=O)N[C@H](C)[C@@H]1CCN(c2cc(C)nc(CO)n2)C1 1875333806 MDBIJVSQDYNKPN-HUUCEWRRSA-N 385.468 1.634 0 50 GDAA CCOC(=O)c1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 13815450 SWDYQTPIJDISTG-UHFFFAOYSA-N 383.408 1.152 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccn(-c4ccccc4)n3)C2)cc[nH]1 2325785368 SJOXUQWIDWTGKD-MSOLQXFVSA-N 379.468 1.119 0 50 GDAA O=C1CSC[C@@H](C(=O)NC[C@H]2CCC[C@H]2NC(=O)C2CCC3(CC2)CC3)N1 2325826627 HLLRFKJFDRMRFA-OAGGEKHMSA-N 393.553 1.590 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4C4CC4)ccc3C2=O)C(=O)N1 2325890735 BZOOOSXNHJBAJX-QZTJIDSGSA-N 395.459 1.852 0 50 GDAA NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 783811 NZELRDWZKMZQIQ-QFIPXVFZSA-N 378.428 1.858 0 50 GDAA COCCN1CCC[C@@]2(CCCN2Cc2ccccc2OCC(=O)O)C1=O 2356163267 VOUXHSSZNPYQBW-HXUWFJFHSA-N 376.453 1.753 0 50 GDAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 4136393 FIHVVMLMYOBMJO-UHFFFAOYSA-N 390.875 1.109 0 50 GDAA biogenic CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOC)CC2)cc1C 4502484 FMJDPFGWMWWYND-UHFFFAOYSA-N 384.498 1.557 0 50 GDAA CCc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OC 4511340 DDORQZFOBXAWNU-UHFFFAOYSA-N 378.450 1.997 0 50 GDAA COC(=O)CN(C)C(=O)[C@H]1C[C@@](C)(C(=O)OC)N(C)[C@H]1c1ccccc1Cl 55183207 MMEKOAPJEKMALM-AXHNFQJDSA-N 396.871 1.896 0 50 GDAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCCN3CCOCC3)C2=O)cc1 67713540 GIFYHXUFBDNESG-JOCHJYFZSA-N 389.540 1.585 0 50 GDAA CNS(=O)(=O)N1CCC(c2nc(-c3ccc(OC(F)F)cn3)no2)CC1 350278092 SHHUKBHCHNKFMG-UHFFFAOYSA-N 389.384 1.377 0 50 GDAA O=C(c1cc2n(n1)CCN(Cc1ccc(-n3cccn3)cc1)C2)N1CCOCC1 65381934 DPYRFEMUOJOWNC-UHFFFAOYSA-N 392.463 1.557 0 50 GDAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 35898062 WYIWGJCINGTUJS-OAHLLOKOSA-N 396.285 1.711 0 50 GDAA COC[C@@H](C)n1c(CCCC(=O)N2CCN(C(C)=O)CC2)nc2cccnc21 77343785 FFPMAEYDAJZXBI-OAHLLOKOSA-N 387.484 1.652 0 50 GDAA COc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c(OC)c1 4983176 CVJKIOQAHBTFOZ-UHFFFAOYSA-N 392.477 1.829 0 50 GDAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 328607929 XOCCEZRDHBVQPL-LBPRGKRZSA-N 397.526 1.753 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)n1 328612567 PFBIOYHBCFUOQL-AWEZNQCLSA-N 387.849 1.106 0 50 GDAA Cn1nccc1N1CCC[C@H](N(C/C=C/c2ccccc2)S(C)(=O)=O)C1=O 328609530 DTCNMLKNWHXBBD-BHMZLHOFSA-N 388.493 1.891 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3Cc4[nH]cnc4C[C@@H]3C(=O)O)cc2)n1 218639642 UVBWSHHHEAAEDY-GOSISDBHSA-N 379.420 1.923 0 50 GDAA COc1cc2c(cc1CN1CCN[C@@H](C(=O)N3CCCC3)C1)OCCCO2 72152317 PMTLNGFDZPCMBI-MRXNPFEDSA-N 375.469 1.253 0 50 GDAA Nc1c(C(=O)CN2CCC[C@@H](Nc3ccccc3)C2)c(=O)[nH]c(=O)n1C1CC1 154978756 UCANRLLZTHLZIK-CQSZACIVSA-N 383.452 1.213 0 50 GDAA CN1C(=O)C[C@@H](NC(=O)c2cn(CC3(C)COC3)nn2)[C@H]1c1ccc(F)cc1 366673855 FKBQEHAATPBZGF-RHSMWYFYSA-N 387.415 1.156 0 50 GDAA CCc1cc(CNC(=O)C[C@H]2COCCN2C(=O)c2oc(CC)nc2C)on1 72477019 UBOXYTIYARJLNV-AWEZNQCLSA-N 390.440 1.643 0 50 GDAA O=C1CCCCN1[C@H]1CCCN(CCN2CCC[C@H](N3CCCCC3=O)C2)C1 369382034 VEANFJFAEIYLPA-PMACEKPBSA-N 390.572 1.940 0 50 GDAA COc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)nc1 376448814 KHSMNLCNANZTPN-MRXNPFEDSA-N 399.495 1.594 0 50 GDAA O=C(CCc1nc(-c2ccoc2)no1)N1CCN(C(=O)c2ccccc2O)CC1 172401911 HIBSELMFLRGLPA-UHFFFAOYSA-N 396.403 1.952 0 50 GDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31603412 HLAXHSZNAYGZCG-QGZVFWFLSA-N 392.459 1.873 0 50 GDAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(CCc2c[nH]c(=O)n(C)c2=O)C1 71419399 FFBFLGBEJRIAEU-CQSZACIVSA-N 389.427 1.359 0 50 GDAA CN(Cc1nnc[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 172620238 QSAJHHNIGFRDED-GFCCVEGCSA-N 381.358 1.831 0 50 GDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1nc(C)n(Cc2ccccc2)c1=O 77343474 NHWVXFWDMCVHBB-CYBMUJFWSA-N 382.468 1.629 0 50 GDAA NCCCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72157134 QDWOWDWFQXANCX-GOSISDBHSA-N 388.512 1.263 0 50 GDAA CC(C)C(=O)N[C@@H](CO)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 291617501 GNPUTJBIUAUQSW-SFHVURJKSA-N 384.480 1.144 0 50 GDAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2cnccn2)C1 95525705 PDSLXNCOQMVMON-HNNXBMFYSA-N 384.436 1.533 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)Cc2c(C)[nH]c3c(F)cccc23)C[C@@H]1CO 95373890 GAXZHPBICJWSQG-HZPDHXFCSA-N 391.487 1.803 0 50 GDAA CC(C)CNC(=O)c1cccc(NC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 97635051 MAHYAGPGYQSQFN-MVJTYMMSSA-N 375.469 1.668 0 50 GDAA CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 92022280 SNCIIFLALPGDPJ-INIZCTEOSA-N 386.496 1.829 0 50 GDAA Nc1n[nH]c(C(=O)N2CCC3(CC2)[C@@H](OCCO)C[C@H]3O)c1-c1ccccc1 92046841 ABUVEMJETOTZBP-CABCVRRESA-N 386.452 1.023 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H]2CNCCO2)cc1 95526116 OATCJAKDMNVJSM-HXUWFJFHSA-N 375.513 1.397 0 50 GDAA CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 91475589 AUFXSLWGEABVDP-AWEZNQCLSA-N 387.392 1.723 0 50 GDAA CN1CCC(CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1 96163392 NHIPUEBFZCCVCS-UHFFFAOYSA-N 377.489 1.429 0 50 GDAA COc1cc(CN2CC(O)C2)ccc1OC[C@@H](O)CN1CCCCCCC1 95510451 GXVDESHDFJXLKG-IBGZPJMESA-N 378.513 1.878 0 50 GDAA CCCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)n(C)n1 95354979 AEKXJZMMGQZTFM-UHFFFAOYSA-N 376.501 1.864 0 50 GDAA Cc1nc(CC(=O)N2CCC(c3nnc(Cn4cncn4)n3C)CC2)cs1 96160390 QSRVASVMNAVXMP-UHFFFAOYSA-N 386.485 1.169 0 50 GDAA COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 252536379 IISSJRAOPHPUDF-MRXNPFEDSA-N 375.400 1.753 0 50 GDAA CN(C)CCN(CC(=O)O)C(=O)c1cc(Br)c2c(c1)OCCO2 299753044 WQNZLZAUVBVUJU-UHFFFAOYSA-N 387.230 1.309 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)NCC2(O)CCN(C)CC2)cc1Cl 269803673 SUFAGMUVKOJSIY-UHFFFAOYSA-N 383.297 1.737 0 50 GDAA O=C(c1cccn2c(O)nnc12)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 1342758565 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CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506401534 JAKXENTUOLTQDO-LLVKDONJSA-N 384.454 1.358 0 50 GDAA CN(C)S(=O)(=O)CCCN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704338744 YMAXXJAHYNZREV-VQIMIIECSA-N 377.510 1.352 0 50 GDAA COCCNc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc(C)cc1C)C2 1848443197 YVRAZGFPLRRAPC-CYBMUJFWSA-N 399.451 1.997 0 50 GDAA CC(C)n1cnnc1CN1C[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@]2(CO)C1 1772812198 ILCYRMJZICLDHZ-IIBYNOLFSA-N 395.511 1.662 0 50 GDAA COc1cc(CNCC(C)(C)CO)ccc1OC[C@H](O)CN1CCSCC1 11838675 NRAHQGVILNQZPX-QGZVFWFLSA-N 398.569 1.592 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)NCC1(c2ccccc2)CCOCC1 12432487 OBZLWSCYOBESDE-UHFFFAOYSA-N 386.500 1.378 0 50 GDAA CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 13445764 HJPAGOZVVSAGKR-UHFFFAOYSA-N 379.416 1.784 0 50 GDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@H]1CCSC1)CC2 14537913 XTHBAJKNIVLFOG-AWEZNQCLSA-N 382.530 1.122 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCc4[nH]nc(C5CC5)c4CC3)cc2)C(=O)N1 1857667411 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COc1ccccc1C(=O)N1[C@H](C(=O)NS(C)(=O)=O)C[C@@H]2CCCC[C@H]21 1875390769 JAHDQONZZNHDCO-CFVMTHIKSA-N 380.466 1.544 0 50 GDAA CCN(C(=O)CNC(=O)N1CC2(C1)SCC[C@H]2C(=O)OC)c1ccccc1 1875301734 RKOBZQSLBHGHTC-HNNXBMFYSA-N 391.493 1.730 0 50 GDAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NC(=O)c3cnc4c(F)cccc4c3)C2)c1 2325786192 PHHWXPIELAQQCX-SSKCKEOISA-N 398.394 1.838 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cnc3c(c2)COCC3)cn1 2325788533 MYKYXRMEQPITCJ-GOSISDBHSA-N 376.482 1.342 0 50 GDAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 1142043 GKSOWXMOABQHKL-UHFFFAOYSA-N 379.390 1.826 0 50 GDAA COc1ccc2cc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)c(C)nc2c1 117832080 AQPVFVCCZTXUBV-QGZVFWFLSA-N 379.420 1.821 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccc2)C(C)(C)CO)cn1C 225546067 LRLFGYXGOUBAHP-MRXNPFEDSA-N 380.466 1.850 0 50 GDAA O=c1[nH]c(=S)[nH]c(O)c1C(c1ccncc1)c1c(O)[nH]c(=S)[nH]c1=O 9310387 XTZCJEJLPDVJNS-UHFFFAOYSA-N 377.407 1.165 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1 55053931 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Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc4c3OCC4)C[C@H]2CO)cn1 328640912 XOYAKXDGZAFNAL-ZFWWWQNUSA-N 397.884 1.405 0 50 GDAA Nc1c(C(=O)CN2CCC[C@H](Nc3ccccc3)C2)c(=O)[nH]c(=O)n1C1CC1 154978848 UCANRLLZTHLZIK-AWEZNQCLSA-N 383.452 1.213 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cccnc1)CO2 71759017 JCCNILDFMVDWCT-MRXNPFEDSA-N 384.436 1.684 0 50 GDAA CN(C)C[C@@]1(O)CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1 72120954 KSKBNFXNOHLFPD-LJQANCHMSA-N 378.448 1.524 0 50 GDAA COCCOCCc1ncc(C(=O)Nc2c[nH]cc(Br)c2=O)[nH]1 492206001 FWBXHEURIYFLGZ-UHFFFAOYSA-N 385.218 1.318 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(=O)NC(C)(C)C)CO2 71730488 QPLZIWDCFBDWLL-CQSZACIVSA-N 390.484 1.007 0 50 GDAA CN1CCCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)CC1 77300296 QPKHYPUOMMUKCI-OZIGNCPNSA-N 399.466 1.272 0 50 GDAA CCn1nnnc1-c1cccc(NC(=O)NCc2nnc3n2CCCCC3)c1 173447977 OCLYISWWGIVPDV-UHFFFAOYSA-N 381.444 2.000 0 50 GDAA CN(Cc1ccc2c(c1)OCO2)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 223505126 LURHZLOFOWKNSZ-LJQANCHMSA-N 376.409 1.668 0 50 GDAA CC(C)CN1CCCC[C@H]1CCNC(=O)N1CCN(Cc2nc[nH]n2)CC1 426370667 UZPJNZKVHPHJAM-KRWDZBQOSA-N 377.537 1.533 0 50 GDAA Cc1ccc2nc(CNC(=O)N3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)[nH]c2c1 426403452 DPNDFMAWTGPOFW-NRFANRHFSA-N 399.495 1.778 0 50 GDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1ccc(-c2cnc(N)cn2)cc1 426551120 MGPKSYZGYXQECD-CYBMUJFWSA-N 381.440 1.845 0 50 GDAA COc1cc(C(=O)NCCSc2cn[nH]n2)ccc1OC1CCN(C)CC1 95513236 JNOCWFCGHQFCGD-UHFFFAOYSA-N 391.497 1.808 0 50 GDAA O=C1CN(c2ccc(C(=O)NCc3nnc(-c4ccccc4)o3)cc2)C(=O)N1 95387460 XJNFFNQPZCNQLS-UHFFFAOYSA-N 377.360 1.723 0 50 GDAA CCN1C(=O)NC(=O)C12CCN(C(=O)[C@H](c1cccc(F)c1)N(C)C)CC2 95379961 BJHPKWSVRNHGLM-HNNXBMFYSA-N 376.432 1.361 0 50 GDAA O=C1CCC2(CCN(C(=O)c3ncccc3O)CC2)CN1CCc1c[nH]cn1 92080902 TURROMCDHRAQGY-UHFFFAOYSA-N 383.452 1.598 0 50 GDAA Cc1cc(=O)oc2cc(NC(=O)N3CCN(CCOCCO)CC3)ccc12 95529355 GIFXDHRHVZFJGT-UHFFFAOYSA-N 375.425 1.260 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)CCc1c(C)nn(C)c1C)CC2 534651183 VGSAQOSIMCKGTD-IMFGXOCKSA-N 376.501 1.644 0 50 GDAA C[C@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)c1cnn(C)c1 274999094 NHFMWBLOPNQZEZ-VIFPVBQESA-N 389.407 1.883 0 50 GDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCOC2(CCN(CC3CC3)CC2)C1 828157798 URKXNBKAHOUORN-UHFFFAOYSA-N 396.495 1.438 0 50 GDAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC[C@](O)(CO)CC1 584898880 AQUDWHWMWZBXKD-OAQYLSRUSA-N 375.513 1.612 0 50 GDAA CN1C[C@H](NC(=O)N2CC(c3ccccn3)C2)c2sccc2S1(=O)=O 584885088 YCPCVURMVBPTHZ-ZDUSSCGKSA-N 378.479 1.627 0 50 GDAA Cc1ncnc(N2CCN(C(=O)c3cn(CC[C@H]4CCCCN4)nn3)CC2)c1C 952979561 OKIIHEZTJIPEJI-QGZVFWFLSA-N 398.515 1.180 0 50 GDAA COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 170084831 HRULCQPWAWPCJX-GLXFQSAKSA-N 375.252 1.779 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772811788 ZBTHMFXPINUATL-YCRPNKLZSA-N 396.447 1.769 0 50 GDAA O=C(c1cnccn1)N1C[C@H]2CN(c3ncnc4ccsc34)C[C@]2(CO)C1 1772815549 OEFFIIBHRHTQIA-KZULUSFZSA-N 382.449 1.052 0 50 GDAA O=C1CO[C@]2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)CN1 1772808152 HCDHACCPEKJQIX-OAHLLOKOSA-N 376.306 1.654 0 50 GDAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CF 11686663 LYBWGROBJJXCJJ-BBRMVZONSA-N 382.388 1.436 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccccc3F)C[C@@H]12 14744605 JENOQCTWUDDCFF-SNRMKQJTSA-N 383.423 1.332 0 50 GDAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1 14979929 GLHJNLBYPRCLHK-UHFFFAOYSA-N 397.497 1.504 0 50 GDAA Cn1ccnc1CN1CCO[C@@]2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1 1857679747 SXPAOYBRESIYLP-SFHVURJKSA-N 393.875 1.498 0 50 GDAA O=C(N[C@@H]1CCC[C@@H](NC(=O)C2CCOCC2)C1)c1ccc(-n2cnnn2)cc1 1857683463 UTIFPMULHJVUJC-IAGOWNOFSA-N 398.467 1.246 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@H]2CCc4ncnn4C2)C3)cc1 1857723787 WUOYPWUFDZLECY-HNNXBMFYSA-N 390.447 1.772 0 50 GDAA CCC[C@]1(CO)CCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)C[C@H]1O 1875246541 QVSMBVWVMWJHGL-WIYYLYMNSA-N 389.496 1.306 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NCc2cc3ccccc3o2)C[C@@H]1O)c1ccno1 1875246736 AAJPWCLEIHLGMX-BPUTZDHNSA-N 383.404 1.997 0 50 GDAA CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 864096729 DECYTLUZVICZNN-UHFFFAOYSA-N 396.441 1.087 0 50 GDAA O=C(Nc1ccc(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)cn1)[C@@H]1CCOC1 952852431 UPZODOAOGJWPKQ-QZTJIDSGSA-N 387.480 1.874 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N=c3ccnc(C4CCC4)[nH]3)C2)n1 1875397542 DGOFRHCEWYMFDC-OAHLLOKOSA-N 381.484 1.623 0 50 GDAA CC(C)(C)Cc1cn(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)nn1 1875324420 XRYHSVMLUHQIQB-INIZCTEOSA-N 381.436 1.617 0 50 GDAA CC(C)c1ccccc1CNC(=O)[C@@H]1c2cnn(C)c2CCN1S(C)(=O)=O 1875395895 OWEOGMUUXONHJG-SFHVURJKSA-N 390.509 1.719 0 50 GDAA C[C@H](Cn1ccnc1)C(=O)NC[C@H]1C[C@@H](C)N(C(=O)c2cc3nc[nH]c3cn2)C1 1875352887 DXWKSBKDCHDGOC-RBSFLKMASA-N 395.467 1.458 0 50 GDAA O=C(Cc1cnc(O)nc1O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 2100545231 KPDZLEZIPRATKL-RHSMWYFYSA-N 380.404 1.041 0 50 GDAA Cn1cc(CN[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)c(-c2ccnn2C)n1 2325785756 MGQSSGFFKYMUJV-SRCQZFHVSA-N 389.891 1.600 0 50 GDAA O=C(NC1CCC(CO)(CO)CC1)[C@H](c1ccccc1F)N1CCOCC1 2325806327 GYBSNRJAJMGIOI-SFHVURJKSA-N 380.460 1.229 0 50 GDAA O=C(CCc1nc2ccccc2n1-c1ccccc1)N1C[C@@H](CO)O[C@@H](CO)C1 2325808383 WDJRDVUTQJFDPN-HDICACEKSA-N 395.459 1.539 0 50 GDAA Cc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1C 1149285 CTSNKXNQMYMVAE-UHFFFAOYSA-N 375.450 1.807 0 50 GDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356140735 PBHMPGRULFAACE-OALUTQOASA-N 391.445 1.101 0 50 GDAA O=C(CCCn1cccn1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356152796 AVSWGHNZVAKWIJ-WFXMLNOXSA-N 388.512 1.950 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356167058 GXMZLCNRXMZGFQ-NRFANRHFSA-N 394.479 1.659 0 50 GDAA COc1ccc(CCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 6680729 UBCWITHGUXITND-UHFFFAOYSA-N 392.477 1.829 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCN1CCCC1=O 55227732 JWEQPQAGLUDLES-QFXLTXBMSA-N 398.507 1.019 0 50 GDAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1coc(COc2cccc3cnccc23)n1 67805690 IUVYXYJZJQMDLE-ZDUSSCGKSA-N 385.401 1.842 0 50 GDAA CC(C)(C)c1oc(C(N)=O)cc1CN1C(=O)N[C@](C)(C2CCNCC2)C1=O 67713080 KRRQKVBIBKGBLU-LJQANCHMSA-N 376.457 1.486 0 50 GDAA O=C(c1cc2n(n1)CCN(Cc1ccc(Sc3ncn[nH]3)o1)C2)N1CCCC1 67758635 CRKWARDCQQFZMW-UHFFFAOYSA-N 399.480 1.997 0 50 GDAA CC[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@H]1O 252512274 OQODGMMBLCEVRP-SWLSCSKDSA-N 398.301 1.515 0 50 GDAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCO[C@H](C(F)(F)F)C1 71551739 JHYHIYRSKWGOPL-NSHDSACASA-N 398.428 1.936 0 50 GDAA CC1(C)S[C@@H]2[C@H](N3C(=O)[C@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O 3830909 DXVUYOAEDJXBPY-RSUWNVLCSA-N 389.477 1.411 0 50 GDAA biogenic COc1ccc2c(c1)N(C(=O)NCCCN1CCC[C@@H](C(N)=O)C1)C[C@@H](C)O2 253394518 GHXAGXHHCFJTMM-HUUCEWRRSA-N 390.484 1.580 0 50 GDAA CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(Cc3ccc4c(c3)CCO4)C2)n1 328631341 KJQAVACXMBPKCU-GOSISDBHSA-N 383.496 1.889 0 50 GDAA O=C(C1CC1)N1CCN(Cc2ccc3ccccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 72439230 VILYUTQBTWACGI-RBUKOAKNSA-N 385.489 1.455 0 50 GDAA C[C@@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2c(c1)OCO2 332844122 XAYJZOXDQBRWBZ-OCCSQVGLSA-N 385.424 1.705 0 50 GDAA Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)C(C)C)CC2)c(F)c1 240534557 GONYVNHFKCMUIS-UHFFFAOYSA-N 384.473 1.975 0 50 GDAA CCN(C(=O)NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 127628483 CJHCCYPCTIYZJN-AWEZNQCLSA-N 380.445 1.730 0 50 GDAA CC(C)C[C@H]1NC(=O)N(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O 242183945 XDDKJCXCVMYOHK-DZGCQCFKSA-N 399.538 1.661 0 50 GDAA O=C(O)CC[C@@]1(CCC(=O)N2CCN(Cc3cccs3)CC2)CCC(=O)N1 222993946 WBOOBMOMNXNJGW-IBGZPJMESA-N 393.509 1.686 0 50 GDAA COc1cc(CNC(=O)N2CCN(C3CCN(C)CC3)CC2)cc(OC)c1 426439099 XQOLLVOXMXTEAE-UHFFFAOYSA-N 376.501 1.625 0 50 GDAA O=C(Nc1cncc(F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 97088392 PLFQZHUFIIZXBJ-LBPRGKRZSA-N 379.413 1.788 0 50 GDAA O=C1CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CN1C/C=C/c1ccccc1 95372678 BFBFJCRGJYHBSU-QPJJXVBHSA-N 394.475 1.591 0 50 GDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCCn3nnnc31)CC2 96141271 OELDFNUQKWYIHE-OAHLLOKOSA-N 398.515 1.450 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCc2ccccn2)c1)N1CCSCC1 95372799 DVNIQNYXVCRTLF-UHFFFAOYSA-N 377.491 1.749 0 50 GDAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cc(S(N)(=O)=O)ccc1F 91445059 HFDNFSFRWYINAA-UHFFFAOYSA-N 390.396 1.795 0 50 GDAA Cc1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cc(S(N)(=O)=O)c1C 299753715 ZBENLZWHSXCIAK-CQSZACIVSA-N 384.454 1.047 0 50 GDAA CCOc1ncccc1C(=O)NCCCNS(=O)(=O)c1ccc(C)cc1 823405656 ZVCHEKLVHATNFR-UHFFFAOYSA-N 377.466 1.887 0 50 GDAA COCCc1noc([C@@H]2CCCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 952982686 ZXLHSYBSIBEKRX-AWEZNQCLSA-N 386.408 1.920 0 50 GDAA COCC(=O)N1CC[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](O)C1 1565507470 DFNWHUZUWSNOGN-KBPBESRZSA-N 375.252 1.260 0 50 GDAA CC(C)OCC[C@@H]1NC(=O)N(C[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1=O 170614048 PNFRDWRGARZVQV-MSOLQXFVSA-N 387.480 1.813 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 273638654 DPYJVWRZFSXJGT-UHFFFAOYSA-N 398.456 1.937 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 190591875 MOJMNTCNWIKUOM-OAHLLOKOSA-N 380.445 1.255 0 50 GDAA O=C(CCN1CCCS1(=O)=O)Nc1ccc(-n2cnc3ccccc32)nc1 195016128 AZGOZGBPBXVRGQ-UHFFFAOYSA-N 385.449 1.785 0 50 GDAA CN(C(=O)c1ccccc1OCCc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1616063445 WELCONOGBCYICX-ROUUACIJSA-N 389.473 1.538 0 50 GDAA Cc1nn(C)cc1NC(=O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 1506400659 WFLJCJQXRNJRCA-UHFFFAOYSA-N 389.407 1.360 0 50 GDAA CSc1nn2c(=O)cc(CN3CCN(C(=O)c4ccco4)CC3)nc2s1 1506421303 OFEIRPLIQYCVST-UHFFFAOYSA-N 391.478 1.424 0 50 GDAA Nc1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 1506398314 YOSUOANPQXYXOE-UHFFFAOYSA-N 395.463 1.437 0 50 GDAA Cc1ccccc1N1CCC(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)CC1 1704331088 KJSWUTPJAKNZBV-WMZOPIPTSA-N 381.542 1.460 0 50 GDAA O=C(O)CCN1C[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@]2(CCC(=O)O)C1 1772809481 XHISAVWVALXKQE-DYESRHJHSA-N 388.464 1.695 0 50 GDAA CN(CCO)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11813603 UFHHMGKKPZNBLU-UHFFFAOYSA-N 390.889 1.207 0 50 GDAA COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC[C@H](O)CN(C)C(C)C 14963530 IVXUOXGPPCTPNH-LJQANCHMSA-N 393.528 1.439 0 50 GDAA O=C(Cn1ncc(N2CCCCC2)cc1=O)NCc1ccccc1-n1cncn1 19228555 IFEJOYIQHIJMLZ-UHFFFAOYSA-N 393.451 1.131 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(C)n(C)n3)CC(=O)N2[C@H]1c1ccccc1 1857720407 SPEJRFHJKVNCDI-BXWFABGCSA-N 396.447 1.316 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccc(O)c3)CC(=O)N2[C@H]1c1ccccc1 1857727343 QIXKRHCVSKJHCG-QRFRQXIXSA-N 394.427 1.979 0 50 GDAA N=c1[nH]nc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)s1 1857735858 COYHWXXUPOACMQ-UHFFFAOYSA-N 381.465 1.993 0 50 GDAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c2c(C)noc2n1 1857736014 LWNULOXXOBBGDT-UHFFFAOYSA-N 394.435 1.868 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)CCO2)n1 1857736140 MQPGJCSNTWCIND-GOSISDBHSA-N 398.467 1.724 0 50 GDAA CN(C)C(=O)c1cccc(CN2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)c1 328602734 CPDAKVFGJJXXQL-LJQANCHMSA-N 395.507 1.992 0 50 GDAA Cc1cccc(C)c1OCCCN(CC(=O)O)C1CCN(S(C)(=O)=O)CC1 328602379 BNXRLGCAJJMOBO-UHFFFAOYSA-N 398.525 1.883 0 50 GDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1 12029405 XACJBSDPUNHHJS-UHFFFAOYSA-N 377.470 1.225 0 50 GDAA C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)N(C)C 264916002 OLLKYFGVICZWIA-AAEUAGOBSA-N 383.395 1.486 0 50 GDAA CC1(C)Cc2c(cnn2-c2ccccn2)CN(C(=O)C2=NN3CCCN=C3N2)C1 952895451 WIVTWADKNGWGAD-UHFFFAOYSA-N 392.467 1.157 0 50 GDAA O=C(O)[C@H](c1ccc(F)cc1)N1CCOC[C@]2(COC[C@H]3CCCCN32)C1 1875291457 ZUZGQWZPXSIDHQ-HBFSDRIKSA-N 378.444 1.907 0 50 GDAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC[C@@H](CN2C(=O)CNC2=O)C1 1875311319 UPOTUJPIEIKABQ-SECBINFHSA-N 385.346 1.251 0 50 GDAA CCc1nocc1C(=O)N1CCCCC12CC(NC(=O)[C@@H]1CC(=O)N(C)C1)C2 1775997863 SWZXEWUURINSNW-WCGZIJFHSA-N 388.468 1.359 0 50 GDAA COc1cc(OC(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1 1776002867 IYRFUOPULDFDRO-UHFFFAOYSA-N 384.364 1.962 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)C4CC(F)(F)C4)cc3C2=O)C(=O)N1 2325886976 PKWMANBEWXUKLS-AWEZNQCLSA-N 391.374 1.109 0 50 GDAA CC1(C)CCN(C(=O)CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325893128 XLKWTMSAQFBLLB-INIZCTEOSA-N 398.463 1.118 0 50 GDAA CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(I)cc1 1147510 TYWMJMFJTBYNBO-UHFFFAOYSA-N 394.234 1.336 0 50 GDAA O=C(O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1 1279410 OQIDETUZZNAAHN-UHFFFAOYSA-N 395.375 1.625 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1N=c1[nH]nc(CC)o1 2356168060 NVYPBFLNEKPJMX-NUEKZKHPSA-N 380.489 1.725 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCO)CC[C@H]1NC(=O)NCCc1ccccc1 2356168723 CPTJKRYGGGHSMJ-IPMKNSEASA-N 391.512 1.601 0 50 GDAA COc1cccc(CN2CCC[C@H](C(N)=O)C2)c1OCCN1CCOCC1 55404385 AIFBLGCDOMLJNZ-KRWDZBQOSA-N 377.485 1.104 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(n2cc(C3CCCCC3)nn2)CC1 23399474 MJNSZOVVVUFZPO-HNNXBMFYSA-N 395.529 1.859 0 50 GDAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67641710 PLASOSVZTXIXSM-UHFFFAOYSA-N 384.440 1.406 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)COc2ccc(OC)cc2)CC1 67629673 ZTBWGERIFDLZFO-CQSZACIVSA-N 384.498 1.640 0 50 GDAA CN1CCCN(c2ncccc2CNC(=O)c2cnc3c(c2)ncn3C)CC1 67973675 QFMCQJVIVRKBGL-UHFFFAOYSA-N 379.468 1.435 0 50 GDAA CN(CCc1cn[nH]c1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67713588 ZWVPVJKREAVIER-LJQANCHMSA-N 378.423 1.716 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(N)=O 20668445 ASONYFTZPRFPFX-UHFFFAOYSA-N 389.477 1.301 0 50 GDAA O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 253433162 STDZSIGPZFTPMK-IBGZPJMESA-N 392.477 1.505 0 50 GDAA C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(-n2cncn2)cc1 177303997 JLWIBUPVLBMPEK-MRXNPFEDSA-N 384.484 1.835 0 50 GDAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)OC1=O 72431292 AZVPKBWJGYRXPT-CQSZACIVSA-N 376.457 1.705 0 50 GDAA Cc1cc(N2CCC[C@H](NS(=O)(=O)C[C@@H](C)c3ccccc3)C2=O)n(C)n1 328609563 DZIYGYBZNBTRDZ-PBHICJAKSA-N 390.509 1.947 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(C)c4ncccc34)C2)n1 328608904 BPAYIQFNQYTDHI-GOSISDBHSA-N 388.449 1.771 0 50 GDAA Cc1cc(C)nc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71770947 NWMSLCVADRSRJU-GOSISDBHSA-N 387.528 1.633 0 50 GDAA O=C(c1ccccc1OCC1CC1)N1CCn2c(nn(CC(F)F)c2=O)C1 364301368 GRBVFKSUPIDZJQ-UHFFFAOYSA-N 378.379 1.755 0 50 GDAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 172742842 QEIWOYDXLHFHGW-LJQANCHMSA-N 377.448 1.785 0 50 GDAA CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 377058509 WRYXAWSVLSXVSG-DLBZAZTESA-N 387.546 1.313 0 50 GDAA O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)C1 333404585 CCVMPYJCHRNEOW-AKLANTLKSA-N 386.467 1.835 0 50 GDAA Cc1cccc(F)c1-n1nc(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)c2c1CCC2 333527908 XMLJCQCPMOLBTE-CQSZACIVSA-N 384.411 1.686 0 50 GDAA CC(C)c1ccc(S(=O)(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 373101454 IDGYSQGPROIQIQ-SFHVURJKSA-N 379.482 1.809 0 50 GDAA COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 377503459 SBHNQNPLTWWQIT-CQSZACIVSA-N 389.433 1.151 0 50 GDAA CSCC[C@H](NC(=O)CCc1ccc2c(c1)nc(C)c(=O)n2C)C(=O)O 218203883 IYRQWSMZTMJYIJ-ZDUSSCGKSA-N 377.466 1.497 0 50 GDAA Cc1ccc(OCCCCNC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)cc1 262919396 FLSVHTSDBISYSQ-SFHVURJKSA-N 393.484 1.581 0 50 GDAA Cc1ccc2oc(=O)n(CCC(=O)N[C@@H]3CCCN(c4ncccn4)C3)c2c1 72158331 NRYHYOOQFHAENU-OAHLLOKOSA-N 381.436 1.868 0 50 GDAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CC(=O)N(Cc2ccco2)C1 238218888 WLIUYHIHYFKJSY-RDTXWAMCSA-N 395.415 1.922 0 50 GDAA Cn1cc([C@H](NC(=O)c2cnc(CN3CCCC3)s2)[C@H]2C[C@H](O)C2)cn1 223786142 AGRSKAQZWYOXSB-HACGYAERSA-N 375.498 1.714 0 50 GDAA CC(=O)N1CCCn2nc(CNC3CCN(Cc4ccccn4)CC3)cc2C1 82115989 UMOKNOQBELGBFI-UHFFFAOYSA-N 382.512 1.785 0 50 GDAA O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(Br)o1 82230454 ODGQFDSRBDHXCI-UHFFFAOYSA-N 396.245 1.511 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)NC(C)(C)CN2CCOCC2)CC1 426547538 DNFTWZLCBQDXDE-UHFFFAOYSA-N 375.517 1.328 0 50 GDAA CC(=O)c1cc(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cs1 426684371 HKPOCKLFOMVQBU-HUUCEWRRSA-N 379.507 1.701 0 50 GDAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H]1CN(Cc2ccccc2)CCO1 178145975 PPPHSNUQQPOWRO-SFHVURJKSA-N 386.473 1.856 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cc1 91779964 HVMNUISZCINZJO-IBGZPJMESA-N 379.526 1.566 0 50 GDAA CN(C)C(=O)Cc1ccc(-c2cccc(C(=O)N[C@@H]3CCCNC3=O)c2)cc1 426658156 BCGBARDYMFTDPD-LJQANCHMSA-N 379.460 1.993 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2 95498520 FDSAULKHQZMXQI-HNNXBMFYSA-N 384.484 1.555 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CCc3nc(=O)c4ccccc4[nH]3)ccc21 148473570 PXRHEPWKTNVMRD-UHFFFAOYSA-N 377.404 1.685 0 50 GDAA CSCC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 248026186 LXNBVGNNHRSPEL-NTNQKNOYSA-N 387.505 1.593 0 50 GDAA CN1C(=O)NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCSC[C@H]32)C1=O 248020930 HRXKWCDDSJBALH-BLLLJJGKSA-N 399.394 1.878 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)CC2)c1 252572176 YWUMHFOAGODJEH-WEYGHZABSA-N 397.523 1.479 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3C(=O)O)CC2=O)cc1OC 299751488 QQQVFWZYSCAOLM-OCCSQVGLSA-N 376.409 1.522 0 50 GDAA Cc1cc(C)c(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c(O)n1 253623884 RYRWIQPVPRSKFH-UHFFFAOYSA-N 396.513 1.283 0 50 GDAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc(C(=O)N[C@H]2CCN(C)C2=O)cc1 534581813 MEZLFPMSSWYZGP-INIZCTEOSA-N 383.452 1.003 0 50 GDAA Cn1c(C(=O)Nc2nc3c(c(C(F)(F)F)n2)CCCC3)cc(=O)n(C)c1=O 1940197240 BROUGIZZVKXIML-UHFFFAOYSA-N 383.330 1.024 0 50 GDAA COCC(=O)N1CC[C@@H](NC2CCN(c3cc(C)cc(C)c3)CC2)[C@H](O)C1 299776991 MXQJYHKFDDBCAK-WOJBJXKFSA-N 375.513 1.470 0 50 GDAA Cc1ccc2c(C)nc(N3CCC(C(=O)NC[C@H]4COCCO4)CC3)nc2c1 299759225 CLBMZXOUDHMGMV-KRWDZBQOSA-N 384.480 1.995 0 50 GDAA CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2c(F)cccc2F)CC1 823795742 GJWAMORBAMBQHY-JTQLQIEISA-N 375.379 1.686 0 50 GDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCN(C(=O)C2CC2)C1 827928460 YVCVURVIFWFOIL-CYBMUJFWSA-N 380.466 1.620 0 50 GDAA Cc1ccccc1SC1CCN(C(=O)NCc2noc(C(N)=O)n2)CC1 584891409 RETJLMKAUOHMJH-UHFFFAOYSA-N 375.454 1.943 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(CC(=O)NC2CC2)cc1 952991835 WGCIKZBOEDLXPW-UHFFFAOYSA-N 394.479 1.058 0 50 GDAA Nc1n[nH]c(CCC(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)n1 1565511078 AWELERZMKYNXMV-MSOLQXFVSA-N 382.512 1.875 0 50 GDAA Cc1nccc(N2CCN(C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)n1 273583766 FBLACJRZPJHCLI-UHFFFAOYSA-N 389.481 1.684 0 50 GDAA C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 225510475 MIVIZLKCWVPOCT-CYBMUJFWSA-N 387.546 1.788 0 50 GDAA COC(=O)[C@@]1(C(C)C)N[C@@H](c2nc(C(C)C)cs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210084394 XAAIAIYTDVYPJL-JWXAPSBJSA-N 379.482 1.710 0 50 GDAA CC(C)C(=O)N1CCN(C(=O)CCc2ccsc2)[C@@H]2CS(=O)(=O)C[C@@H]21 219559086 KBFCYFBKPDLODW-CABCVRRESA-N 384.523 1.173 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2cc(O)nnc2O)CC1 1704298166 GNJWXNKGOWFJOQ-UHFFFAOYSA-N 385.420 1.530 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)[C@H]1CCc3sc(N4CCOCC4)nc3C1)C2 1775979529 WTNIWYCDIOUMQO-AWEZNQCLSA-N 387.509 1.632 0 50 GDAA Cc1cnc(C(=O)N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@]3(CN(C)C)C2)cn1 1772710412 QZIXCCMTCQVONM-OXJNMPFZSA-N 399.520 1.623 0 50 GDAA Cc1cccc(CN2C[C@H]3CN(C(=O)CCc4ccc(O)cc4)C[C@@]3(CO)C2)n1 1772806136 UNHKXZFPRLQZHE-WMZHIEFXSA-N 395.503 1.981 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnc(C)cn2)cc1 12430662 GUTNTLKRPRRIGU-LJQANCHMSA-N 397.479 1.191 0 50 GDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)n1 13009351 RYNLBNPXSBIWOK-UHFFFAOYSA-N 398.492 1.623 0 50 GDAA CCS(=O)(=O)c1ncc(CN(CCO)Cc2ccccc2)n1CCOC 15078532 KDHMRCYVWWKWJV-UHFFFAOYSA-N 381.498 1.318 0 50 GDAA COc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)o1 15080064 AHOSBLJWJJLRRX-CQSZACIVSA-N 375.469 1.883 0 50 GDAA CN(c1ncccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 19146703 XMNCPJKEJXUJPY-OAHLLOKOSA-N 380.514 1.837 0 50 GDAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1ccncc1Cl 1857668708 LXTQNGKSOAKZKX-RYUDHWBXSA-N 393.852 1.689 0 50 GDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)CC1CC1 1857706240 LUYMZXOJVSRZCY-ZWKOTPCHSA-N 399.491 1.783 0 50 GDAA CS(=O)(=O)c1ccc(C2(C(=O)N3CC[C@H](CO)[C@H](O)C3)CCCCC2)cc1 1857721694 BNMKARGJMHUARL-CRAIPNDOSA-N 395.521 1.494 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N(C)CCn3cnc4ccccc43)CC2=O)s1 1857722530 KQYSQPVXHFRRJJ-ZDUSSCGKSA-N 398.492 1.962 0 50 GDAA O=C(NCCc1noc(-c2ccccc2)n1)[C@@H]1CC(=O)N(c2nccs2)C1 1857723238 WYXUDSCIXIUAGD-CYBMUJFWSA-N 383.433 1.905 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H]3CCn4nccc4C3)CC2)n1 1857729003 JDXHJJQARFMDJL-ZDUSSCGKSA-N 394.401 1.912 0 50 GDAA Cc1ccc(S(=O)(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1F 1857741111 CUIDBGCKQPOESP-JZXOWHBKSA-N 382.457 1.881 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CNC(=O)c3ccccc3)C1)CC2 1704338374 SSODQLRRIOAUMJ-JOCHJYFZSA-N 393.491 1.779 0 50 GDAA O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1cn([C@@H]2CC[C@H]2O)nn1 913756553 CEDUZXHCYLABQD-CHWSQXEVSA-N 384.362 1.456 0 50 GDAA COc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)nc(C(F)(F)F)n1 1875275436 UDMYJBYIXNKTGC-UHFFFAOYSA-N 394.361 1.507 0 50 GDAA O=S(=O)(c1ccccc1I)N1C[C@H]2CC[C@H]1CN2 1875298517 DCZUTSKNVSJRQF-ZJUUUORDSA-N 378.235 1.416 0 50 GDAA Cn1c(=O)n(CCC(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)c2ccccc21 1875395906 PDSIXRGDXVHOCZ-XHCCPWGMSA-N 390.509 1.932 0 50 GDAA Cc1cnc(N2CCC(N3C(=O)N[C@H]4CN(C(=O)C5CC5)CC[C@H]43)CC2)nc1 888103316 CLYLEBUVWKUCDN-DLBZAZTESA-N 384.484 1.159 0 50 GDAA CN1CCN(c2ncc(C(=O)N3CC[C@@H]4CC[C@@]43c3cnn(C)c3)s2)CC1 2325783811 CONJXYFZLCSLCV-LIRRHRJNSA-N 386.525 1.780 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1nc(N2CCCC2)ncc1Cl 2325785660 HYYTWVHNHUXLNF-BPLDGKMQSA-N 390.875 1.496 0 50 GDAA COC(=O)c1nc(N2CCN(c3ccnc(N(C)C)n3)CC2)c2sccc2n1 2325802150 LLZRHKCXRRFTRP-UHFFFAOYSA-N 399.480 1.661 0 50 GDAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)Cc1cc(-c2nn[nH]n2)ccn1 2325807925 JLHOOKCNGPTRSO-KRWDZBQOSA-N 377.452 1.932 0 50 GDAA CC[C@@H](NC(C)=O)C(=O)N1CC(C2CN(C(=O)c3csnc3Cl)C2)C1 2325823244 LHWNKAVKQSTLAH-CYBMUJFWSA-N 384.889 1.242 0 50 GDAA CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C 850893 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CC(C)C1=NO[C@@H](C(=O)N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)C1 65420542 NEAACASUHAQJBV-GOSISDBHSA-N 396.451 1.351 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1 67612771 KUCSEDLDAFCEHS-GOEBONIOSA-N 395.525 1.923 0 50 GDAA O=C(CN1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)NC[C@@H]1CCCO1 67679126 BSEMOQZZTAYMPI-AWEZNQCLSA-N 385.420 1.724 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C1 2808041 MTQHHMOASGODFR-CQSZACIVSA-N 380.445 1.681 0 50 GDAA CN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@H]1c1ncc[nH]1 328619531 FZPXSZSYMMVGRJ-KRWDZBQOSA-N 386.481 1.332 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4N3)CC2)C1=O 215988563 NTFIKMGMFJHUOQ-CQSZACIVSA-N 376.844 1.562 0 50 GDAA COc1cccc(OC)c1C(=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72423795 QKYYBAVAAKTZJA-CABCVRRESA-N 394.493 1.037 0 50 GDAA CCS(=O)(=O)c1ncc(CN(C)CC(=O)OC)n1CCc1ccccc1 39460944 VXFZSOVNOIRSPF-UHFFFAOYSA-N 379.482 1.524 0 50 GDAA CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@H](C2CCC2)C1 366212371 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534581872 HADPVJABPXJFLF-UHFFFAOYSA-N 385.468 1.601 0 50 GDAA CCN(C(=O)NCc1nc(-c2ccccc2C)no1)[C@H]1CCS(=O)(=O)C1 534579855 FLEDVONKYVXDDR-ZDUSSCGKSA-N 378.454 1.764 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCc2cscn2)C[C@@H]1O)c1ccc2[nH]ccc2c1 1940195599 QPTKHUASNLBSPN-WBAXXEDZSA-N 398.488 1.853 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2cncc(=O)[nH]2)CC1 1940195766 LBSGCJMGOKDIRF-UHFFFAOYSA-N 383.452 1.683 0 50 GDAA CC(C)=CCN1CCOC2(CCN(S(=O)(=O)c3cnn(C)c3C)CC2)C1 820542311 DLCKFGMZYQINON-UHFFFAOYSA-N 382.530 1.550 0 50 GDAA COc1cccc2c1OCCCN(C(=O)NC[C@H]1CN(C(C)=O)CCO1)C2 584902423 QRZXEZYEHLAOPP-INIZCTEOSA-N 377.441 1.237 0 50 GDAA COc1ccccc1N1CC[C@H](NC(=O)Nc2cccc(OCC(N)=O)c2)C1 268368604 LRKSZRYSSIFPSA-HNNXBMFYSA-N 384.436 1.960 0 50 GDAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 268934720 MNARSVXSEZENAQ-FUHWJXTLSA-N 384.436 1.686 0 50 GDAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cn(CC(C)C)cn2)C1=O 189161728 WMVDEHKLUHZASK-CQSZACIVSA-N 394.501 1.229 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCS(=O)(=O)C1 191645953 LYWMIYRWWXQFBF-MRVPVSSYSA-N 388.330 1.566 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)cc1 1775980221 UYWWJYDXYKSXJE-GOSISDBHSA-N 393.553 1.948 0 50 GDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@]2(CN(C)C)C1 1772711086 WHHXJKQRSLJICV-IFXJQAMLSA-N 397.491 1.790 0 50 GDAA CCc1cc(C(=O)N2CCCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n(C)n1 1772707785 YSPVCTYDNTWQQY-LJQANCHMSA-N 398.463 1.497 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(F)(F)F)c1OC 11772438 RWVOZZCEFOKLLT-GFCCVEGCSA-N 389.374 1.073 0 50 GDAA O=C(c1ccco1)N1CCCN(c2nc3nonc3nc2N2CCCCC2)CC1 11878271 HQDBFEZOMRAVAK-UHFFFAOYSA-N 397.439 1.949 0 50 GDAA O[C@H](COc1ccccc1CNCC1CCOCC1)CN1CCSCC1 12072353 AKASKWSBBSEPAR-IBGZPJMESA-N 380.554 1.991 0 50 GDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN2CCSCC2)c1 12074297 VXFVZGLTUXBAGD-SFHVURJKSA-N 396.553 1.440 0 50 GDAA CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC2)cc1 12305993 WFLSYKBIJVCEFV-LJQANCHMSA-N 386.496 1.137 0 50 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C[C@]1(O)CC2(CCN(C(=O)c3c[nH]c4ccc(F)cc4c3=O)CC2)OC[C@@H]1O 2356145684 HOIULIGQUMNJQE-LPHOPBHVSA-N 390.411 1.174 0 50 GDAA O=C(CCn1cnnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)NCc1cccc(F)c1 2356162544 MSHYGLKBBAXYQV-IRXDYDNUSA-N 386.431 1.392 0 50 GDAA COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 4806386 RKOAALFGDVZZTD-UHFFFAOYSA-N 391.493 1.667 0 50 GDAA biogenic Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1cnn(-c2ccncc2)c1C 1326575781 PCIYLFMAOWXBNB-UHFFFAOYSA-N 385.449 1.462 0 50 GDAA CC(C)N1CCC(N2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)CC1 104545775 OIWDMQGIPRXMTJ-LJQANCHMSA-N 387.528 1.964 0 50 GDAA CC(C)Cn1c(CN2CCN(c3ccccc3)C(=O)C2)cnc1S(C)(=O)=O 55042193 VUJWVGSDIUUNTE-UHFFFAOYSA-N 390.509 1.791 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 20220096 MSGWSMVSGHZHNR-LJQANCHMSA-N 387.505 1.767 0 50 GDAA O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@@H]1CN1CCC[C@H]1CO 252667998 DQWIWFJGQYBFDA-MSOLQXFVSA-N 389.500 1.371 0 50 GDAA CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC(N)=O)cc1 6659413 UNEOJQXCJUMYBC-LJQANCHMSA-N 391.431 1.935 0 50 GDAA CN(C(=O)Cc1cnc2ncnn2c1)[C@@H]1CCCN(CCc2ccccc2)C1 39519038 AKEIRIGVMVYUQQ-LJQANCHMSA-N 378.480 1.832 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)NCCc1csc(-c2cnccn2)n1 72458832 ARQSNDYOEVDTCD-UHFFFAOYSA-N 397.508 1.581 0 50 GDAA Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc21 218295342 JZGOKJFCDMPREV-KRWDZBQOSA-N 381.388 1.102 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 72125277 OOGRNTVYWDPWAJ-LJQANCHMSA-N 383.496 1.882 0 50 GDAA Cc1cc(C[C@@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1 215312275 NOZXGBWOPDTERC-CQSZACIVSA-N 376.482 1.864 0 50 GDAA CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 363294973 UZIGZQFQBWIJCE-QGZVFWFLSA-N 395.525 1.486 0 50 GDAA CNC(=O)[C@@H]1CCCCN1C(=O)c1nnn(Cc2ccc(F)cc2F)c1C 241139453 JRASOSZIWHDKNI-HNNXBMFYSA-N 377.395 1.654 0 50 GDAA COc1cccnc1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71747822 RWQFNYNOVKQDCK-HNNXBMFYSA-N 386.496 1.685 0 50 GDAA COCCN1C[C@@H](CNC(=O)N2CC(Oc3c(C)cccc3C)C2)CC1=O 426589704 CDYSWHFESJHQLR-MRXNPFEDSA-N 375.469 1.571 0 50 GDAA O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CCCN(c2cnccn2)C1 426615445 KISKMULVVDDCIA-OAHLLOKOSA-N 379.424 1.639 0 50 GDAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 20608420 MHRUEJPZSHMWES-GOSISDBHSA-N 379.526 1.311 0 50 GDAA CCN(C(=O)c1cnc(-c2csc(C)n2)nc1O)[C@H]1CCS(=O)(=O)C1 91973934 UGZDJKKPZBTBDD-JTQLQIEISA-N 382.467 1.263 0 50 GDAA CC(C)[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1NS(=O)(=O)N(C)C 95504418 OTJQJNRFNFRIHL-LSDHHAIUSA-N 379.486 1.593 0 50 GDAA Cc1c(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)sc2ncn(C)c(=O)c12 244852556 UUNVXUBEFHRNRH-ZOWXZIJZSA-N 384.461 1.940 0 50 GDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(OC(F)F)c(F)c2)C1 296949081 QEBIKBWFBABAKM-NSHDSACASA-N 395.403 1.650 0 50 GDAA O=C(Cc1cc(F)cc(Cl)c1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O 1940197505 VORMMYMOZXCUTE-APHBMKBZSA-N 384.835 1.136 0 50 GDAA Cc1ocnc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299798296 REGUDMZCEHMIBQ-KRWDZBQOSA-N 390.484 1.062 0 50 GDAA CN1C[C@]2(CCCN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C2)OC1=O 299774559 HFEWPLQNACDLKL-INIZCTEOSA-N 375.364 1.250 0 50 GDAA CN1[C@H](c2cccc(F)c2F)[C@H](C(=O)N2CCC(CO)CC2)C[C@@H]1C(=O)O 1565506376 QAAAIQWMIQOBQP-FRFSOERESA-N 382.407 1.642 0 50 GDAA COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 170604009 SJJCXVXUERJDQT-VXGBXAGGSA-N 388.511 1.911 0 50 GDAA COc1ccc(C(=O)N2CCCN(Cc3cccc4nonc34)CC2)c(OC)n1 1529187674 XQLOTXRESUJNIT-UHFFFAOYSA-N 397.435 1.983 0 50 GDAA CN1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC12CCOCC2 1775980436 XNUZOUKGUFSXJB-UHFFFAOYSA-N 379.404 1.586 0 50 GDAA O=C(Cc1ccccc1F)NCCn1cc(C(=O)NCc2cccs2)nn1 12040664 NUSKEWIHHPUUGB-UHFFFAOYSA-N 387.440 1.768 0 50 GDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2cccc(F)c2)[nH]n1 12304961 BWKNCEJLZBRWAE-OAHLLOKOSA-N 391.399 1.922 0 50 GDAA CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2cccnc2)N[C@@H]1c1cccnc1 19316915 USISSUPZZPBSRF-FZDBZEDMSA-N 397.431 1.790 0 50 GDAA O=C(CCCn1ccccc1=O)N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531436 UKMXDARTUNGGHC-KBMXLJTQSA-N 378.860 1.434 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCn3ccc4ccccc43)CC2=O)s1 1857706485 VNMAMUFTZGHGMV-AWEZNQCLSA-N 399.476 1.809 0 50 GDAA Cc1n[nH]cc1-c1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(-c2ccc3c(c2)OCCO3)n1 1857736339 PMWUCQNHFZZORI-APHBMKBZSA-N 396.451 1.693 0 50 GDAA C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCN(c3nccn3C)CC2)C1=O 365459110 LNOIUTMMCOWJRW-AWEZNQCLSA-N 383.452 1.319 0 50 GDAA COc1ccccc1CC1CCN(c2nc3c(c(=O)nc(O)n3C)n2C)CC1 263938310 XOJYJQIDJMMWQX-UHFFFAOYSA-N 383.452 1.840 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCN(C[C@H]2CCOC2)CC1 267424407 XNLFVJVXMGRBTI-IAGOWNOFSA-N 391.537 1.924 0 50 GDAA COc1ccc2c(c1)cc(C(=O)N1C[C@H]3COC[C@@H]1CN(CC(=O)O)C3)n2C 1704309188 KDGNMWSSAFQDTA-ZFWWWQNUSA-N 387.436 1.044 0 50 GDAA NS(=O)(=O)c1ccc(NC(=S)N2CC[C@@H](Oc3ccccn3)C2)cc1 1875266671 YLKMEYIPUDFGQE-CYBMUJFWSA-N 378.479 1.579 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CC[C@H](C)[S@](=O)CC3)CC2=O)cc1OC 1875263862 XHBVESRHAVAIPD-JDBVMXIESA-N 394.493 1.426 0 50 GDAA C=CC(=O)NCC(=O)N1CC[C@]2(C1)C(=O)Nc1cc(Br)ccc12 1875380984 GPQGAWCDWMEAGY-MRXNPFEDSA-N 378.226 1.174 0 50 GDAA COc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cn1 1875397420 ZEUYXJLOHCLWBR-MRXNPFEDSA-N 384.484 1.567 0 50 GDAA CNC(=O)CN1CCc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc21 1875390982 MKGVCBPTJCCLEU-UHFFFAOYSA-N 398.488 1.625 0 50 GDAA COc1ccccc1N1CCN(C(=O)CSc2nc3c(N)ncnc3[nH]2)CC1 1062228 DEVICDXASPGEDX-UHFFFAOYSA-N 399.480 1.385 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2[nH]nc3ncccc23)[C@H]1c1ccccc1 2100547681 MYCUJLIPSWPCFX-MOPGFXCFSA-N 393.447 1.951 0 50 GDAA Cc1ccc(N2CCCC2=O)c(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c1 2325785916 UHGQTOQRUVKTHW-SZVBFZGTSA-N 382.464 1.888 0 50 GDAA CCc1nc(CN2CCC[C@H](N(C)C(=O)[C@@H](N)C3(OC)CCCC3)C2)no1 2325800766 FAOGQUSAAVCJIP-WMLDXEAASA-N 379.505 1.341 0 50 GDAA Cc1nc(C)n(CCCNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)n1 2356142665 BQQUBFHEPOLTEU-UHFFFAOYSA-N 389.525 1.928 0 50 GDAA CCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)cn23)n(C)c1=O 4250629 MZMONPSOMRXSFJ-UHFFFAOYSA-N 383.408 1.484 0 50 GDAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(N)=O 4762633 NESGRVWZLWGXDT-LSDHHAIUSA-N 381.498 1.805 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)nn(C)c1=O 67605171 SFSTXOYLPHPJGP-CQSZACIVSA-N 383.456 1.143 0 50 GDAA COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)c(Cl)c1Cl 20726237 AYYLNTNIRJQCOH-UHFFFAOYSA-N 396.340 1.918 0 50 GDAA C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 248804086 QYEDGHTYUANCHS-FRRDWIJNSA-N 384.464 1.931 0 50 GDAA NC(=O)NCc1cn(C2CCN([C@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 20598144 AEQMBZZJMVTFBY-SFHVURJKSA-N 387.463 1.501 0 50 GDAA O=C1CC[C@H](CC(=O)N2CCCn3nc(-c4nc5ccccc5[nH]4)cc3C2)N1 67804460 BFRNEHPZUOQBAK-CYBMUJFWSA-N 378.436 1.827 0 50 GDAA CCN1CCN(C(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 65364108 JWWPKJAIEOUNKC-HNNXBMFYSA-N 383.514 1.322 0 50 GDAA O=C1N2CN(C(c3ccccc3)c3ccccc3)CN=C2SC1(CO)CO 20123731 UHRLBTXASDLBRY-UHFFFAOYSA-N 383.473 1.661 0 50 GDAA Cn1cccc1[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 229982301 GWZOOJPXJCEYJZ-LAUBAEHRSA-N 395.463 1.660 0 50 GDAA Cc1nc([C@H](C)N(C)C(=O)c2cn(CCN3CCNCC3)nn2)c(C)s1 77488867 HIFYIFIWZBIALI-LBPRGKRZSA-N 377.518 1.090 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 328614841 XARYJWMJHFOAFQ-INIZCTEOSA-N 377.426 1.352 0 50 GDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1ccc(OC)cc1 34065341 LXVYMTZBKWBTOS-SJORKVTESA-N 388.468 1.039 0 50 GDAA CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 77358422 OZCIARAHZVOKSR-HNNXBMFYSA-N 376.482 1.722 0 50 GDAA O=C1NC(=O)[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)N1 241897118 TVRFLINEYLQORN-AKCHCHLHSA-N 388.443 1.285 0 50 GDAA CCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3CN3CCOCC3)C2)cn1 286680196 ZJVJIECLMAVPKU-INIZCTEOSA-N 386.500 1.868 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNc2cc(C3CC(O)C3)ncn2)cc1 222370728 LYOHTJKCYAVOSL-UHFFFAOYSA-N 376.482 1.804 0 50 GDAA O=C(NCCN1CCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82156674 QUGRCJWDSLCCAQ-NRFANRHFSA-N 399.583 1.970 0 50 GDAA COCCn1c(C)cc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1=O 225416910 FLWSTSSLAUUOMA-SJORKVTESA-N 397.475 1.533 0 50 GDAA biogenic O=C(NCCO)c1ccc([C@@H]2CCCN2C(=O)c2nnc3n2CCCC3)s1 20639346 UBYDSTDQCPAXQH-LBPRGKRZSA-N 389.481 1.375 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@H](c3ccn(CCO)n3)C2)c2c(C)nn(C)c2n1 426562831 FUFCMZWGLZSNBQ-OAHLLOKOSA-N 382.468 1.794 0 50 GDAA CNC(=O)Cc1ccc(NC(=O)N(C)C[C@@H]2CCCN(CCOC)C2)cc1 426383781 JASLHASFPIVDHD-KRWDZBQOSA-N 376.501 1.797 0 50 GDAA CNc1nc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cs1 91915316 OJRADFGXLWNIGY-WDEREUQCSA-N 375.406 1.854 0 50 GDAA COc1cccc(-c2cc(C(=O)NCc3nnnn3-c3ccccc3)[nH]n2)c1 91906977 VCHAKIOHSRGWLR-UHFFFAOYSA-N 375.392 1.991 0 50 GDAA Cc1ncsc1CCC(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 92099083 JJNKLVHJQZIOKP-YALNPMBYSA-N 381.542 1.560 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1 95362003 YUOLUTFROCZACL-JKSUJKDBSA-N 391.493 1.197 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(=O)N(c2ccccc2)C[C@@H]1C 91586109 GAGJLZMQRKTLBP-NSHDSACASA-N 382.873 1.808 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1scc2c1OCCO2 244748803 OOQBUYDFBLOYQN-ZIAGYGMSSA-N 375.450 1.280 0 50 GDAA Cc1cc(C)nc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299772817 AWPVKAKNELHJAH-LJQANCHMSA-N 387.528 1.855 0 50 GDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)CN1CCN(c3ncccn3)CC1)C2 299772939 BIWUPCUGEFTMOB-UHFFFAOYSA-N 381.484 1.229 0 50 GDAA COc1cc(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc(-n2cnnn2)c1 952983196 IVJLRBBYIGSQMN-INIZCTEOSA-N 378.392 1.760 0 50 GDAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 952970037 BNUCGOQWHWFYPX-INIZCTEOSA-N 377.404 1.797 0 50 GDAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CCN1CC(C)(C)O 188618739 NGDQCRMHTFRDQX-AWEZNQCLSA-N 377.460 1.870 0 50 GDAA O=C(Cc1cccnc1)NCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1506407799 RYMLBHMJNLNANJ-UHFFFAOYSA-N 391.468 1.980 0 50 GDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 1506408167 VRYUSRFYXPZMLV-MRXNPFEDSA-N 376.416 1.913 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCCN(C(=O)c3cc(C4CC4)no3)CC2)c(O)n1 1529199242 ZWGIKWNHUBFYMN-UHFFFAOYSA-N 399.451 1.582 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cccc(F)c2C(F)(F)F)C[C@H]1O 1529144168 PLRBMXCXQSCOPG-WCQYABFASA-N 384.395 1.529 0 50 GDAA O=C(COc1cccc(Cl)c1)N1CCCN(CC(=O)N2CCOCC2)CC1 1529189565 RRLDOEIMQOCGTI-UHFFFAOYSA-N 395.887 1.112 0 50 GDAA O=C1CO[C@H](C(=O)NCCN2CCc3ccccc3C2)[C@@H](c2ccccc2)N1 1704352362 DXBLDFYTNVMHSR-RTWAWAEBSA-N 379.460 1.417 0 50 GDAA CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O 1772492677 KFFKFURIFBILHY-DJIMGWMZSA-N 375.469 1.453 0 50 GDAA CSCC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@]2(CCc2ccccc2)C1 1772706884 PTBJQQUJDOENSY-WIYYLYMNSA-N 389.565 1.831 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@@H]3CN(Cc4ncc[nH]4)C[C@@]3(CO)C2)cc1C 1772819583 PKAICHABPPZMLH-UWJYYQICSA-N 384.480 1.358 0 50 GDAA Cc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3CC(C)C)CC2)c(C)c1 12433222 UKGYVTDWTBJSMZ-HXUWFJFHSA-N 386.540 1.799 0 50 GDAA CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(=O)C(C)(C)C)c(=O)n2C 12516039 GIXXUKVVRCLXJM-UHFFFAOYSA-N 386.456 1.334 0 50 GDAA COc1ccc(CNCc2cc(C)n(C)n2)c(OC[C@H](O)CN2CCCC2)c1 12581545 YGOSBUNFBVIZBJ-LJQANCHMSA-N 388.512 1.862 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C(=O)N1CCCC1 13668595 MCZZKWCVOYVRGZ-IAGOWNOFSA-N 396.509 1.855 0 50 GDAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCN(CCOc2ccccc2)CC1 19228488 VHHCUBZYPKNPAM-GOSISDBHSA-N 385.468 1.294 0 50 GDAA CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1Cc1ccccc1C 19526425 HYFVCVJEVQGJMZ-UHFFFAOYSA-N 384.484 1.946 0 50 GDAA O=C(NCC(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1)c1ccccc1 1857675286 QZBRNGREAVCKKZ-QFIPXVFZSA-N 393.443 1.692 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCS(=O)(=O)CC1 1857697497 BFLOAYQWQYXERL-CYBMUJFWSA-N 378.454 1.086 0 50 GDAA C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 129982217 XSGQIKBRUKIRFA-BEAOVULUSA-N 397.519 1.920 0 50 GDAA CCCn1cnc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 1875264093 CCBOUIBNCONETF-UHFFFAOYSA-N 397.888 1.684 0 50 GDAA Cn1c(O)nc(N2CC[C@H](N=c3ccc(-c4ccccc4Cl)n[nH]3)C2)cc1=O 1875399036 MFDUHAUOSLDZIL-LBPRGKRZSA-N 398.854 1.709 0 50 GDAA CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@@H]1Cn1cc(Cn2cccc2C(=O)O)nn1 1875355112 AISZZSDRCBVNMH-YSVLISHTSA-N 389.456 1.224 0 50 GDAA CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCC1(C(N)=O)CCCC1 1875344066 CWIHFVOWKXUNOR-HNNXBMFYSA-N 399.488 1.291 0 50 GDAA CN(CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)N(C)C)C2)Cc1ccccc1F 1073282709 XMLLIUWKYYLZQZ-WBVHZDCISA-N 376.476 1.862 0 50 GDAA COc1cc([C@H](CC(=O)O)NC(=O)Cc2ccccc2)ccc1OCC(N)=O 4574445 ONCSCNFRKMUZJO-HNNXBMFYSA-N 386.404 1.434 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCc2nncn2C(C)C)CC[C@H]1NC1CCOCC1 2100483827 QCZVIIUBQRJLBW-USXIJHARSA-N 379.505 1.428 0 50 GDAA Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1C 12374053 OOKQLUNKKKYODJ-CYBMUJFWSA-N 397.479 1.684 0 50 GDAA CCOC(=O)C1=C(CN[C@@H](CO)c2cccc(Cl)c2F)NC(=O)N[C@H]1C 2325699971 HHGMBWSCXNWLMJ-ZANVPECISA-N 385.823 1.621 0 50 GDAA O=C(c1cc2n(n1)CCO2)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2c(Cl)cccc21 2325794906 WGPGZAOAULTFNE-SLEUVZQESA-N 398.850 1.694 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@]2(COc3ccccc32)C1 2325796679 CWJHNJZTIVQRRO-ICSRJNTNSA-N 399.472 1.669 0 50 GDAA CCn1ncc2c(C(=O)NCCNS(C)(=O)=O)cc(-c3ccccc3)nc21 119529823 JIJNNSFURJSTOD-UHFFFAOYSA-N 387.465 1.397 0 50 GDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2ccc(OC)cc2)C1=O 2356166621 GDMNWNVWZOJNNC-SFHVURJKSA-N 382.482 1.487 0 50 GDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 4488406 IAJUWAROECXAKK-AWEZNQCLSA-N 384.498 1.555 0 50 GDAA O=C(NCCc1cn[nH]c1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55281627 IXHFXXHKINTJQV-UHFFFAOYSA-N 398.442 1.832 0 50 GDAA CN1CCC(N2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1 104334644 HFGCLNUPSJXXHJ-LJQANCHMSA-N 375.513 1.421 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 67602080 WLTKZJCZEKAYJK-MRXNPFEDSA-N 395.525 1.923 0 50 GDAA CC(=O)N1CCn2nc(C(=O)N(C)Cc3cn[nH]c3-c3ccccc3)cc2C1 67818119 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COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccncc3F)CC2)C1 71479551 CTSGDDKWIHZZEG-HNNXBMFYSA-N 392.475 1.300 0 50 GDAA O=S(=O)(c1ccc2c(c1)CCCO2)N1CCC([C@H](O)c2ncc[nH]2)CC1 374614836 WNILGNLCAPNGFF-KRWDZBQOSA-N 377.466 1.869 0 50 GDAA Cc1nc(C(=O)N[C@@H](C)CCc2cccn2C)nn1-c1nnc(C(F)(F)F)[nH]1 176453902 IWFJGJXUMAGDTG-VIFPVBQESA-N 396.377 1.802 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)nc(C)n1)CC2 95522461 WQOZSRZQUAOLAU-UHFFFAOYSA-N 382.468 1.743 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)ccc1O)CC2 95497702 ONQFVQSMHVXEGO-UHFFFAOYSA-N 398.463 1.586 0 50 GDAA O=C(CCC1CCN(c2nnnn2-c2ccccc2)CC1)NC[C@@H]1CCCO1 95521612 OJSWKZLLLVSBOE-SFHVURJKSA-N 384.484 1.954 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@H](Cc2cccc(CO)c2)C1 95376836 VYGFVKIMDAHGPB-GOSISDBHSA-N 377.448 1.788 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)Cn1cnc3ccccc3c1=O)C2 95510378 RJIYAWXCAFLLMU-CQSZACIVSA-N 379.416 1.773 0 50 GDAA Cc1oc2c(c1C(=O)N1C[C@H](CO)[C@H](CN3CCN(C)CC3)C1)C(=O)CCC2 95371037 FLSQQPGVZRCDIU-HZPDHXFCSA-N 389.496 1.035 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(F)cc1)CC2 95497092 JAZJPQPJWGOGKX-UHFFFAOYSA-N 386.427 1.711 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(F)c(Cl)c1 1940195024 JDLNRWITHMUMCV-ZANVPECISA-N 379.841 1.507 0 50 GDAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-n2cccn2)ccc1OC 952970900 UCTRSHVRAYAAAP-AWEZNQCLSA-N 399.494 1.079 0 50 GDAA Cc1cc(CC(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 952861500 HJIQTLNMOLOTAH-ZDUSSCGKSA-N 383.495 1.804 0 50 GDAA O=S1(=O)C[C@@H](O)[C@H](N2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 408294501 NDWIBNPIDPXIMI-NEXFUWMNSA-N 384.464 1.131 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 269177224 JYENNXDAOIPORW-NSHDSACASA-N 390.255 1.297 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 269178818 KSJDVNFPXAEGAJ-NSHDSACASA-N 390.255 1.297 0 50 GDAA CCc1ccc(CN2C[C@H](C(=O)Nc3cnn(CC(=O)NC)c3)CC2=O)cc1 1529120420 ZNAKJRUFQQJEJY-MRXNPFEDSA-N 383.452 1.179 0 50 GDAA COCCNc1nc2cc(C(=O)N3C[C@H]4CCN(C)C(=O)[C@H]4C3)ccc2n1C 1775979738 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Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C 888093002 WGNDKXPCXXTBHD-LDYMZIIASA-N 382.408 1.337 0 50 GDAA CCn1ccc(NC(=O)N2CCN(C(=O)COC)C3(CCOCC3)CC2)n1 1775961173 FBXAQABZQSWZET-UHFFFAOYSA-N 379.461 1.165 0 50 GDAA CCOC(=O)c1nnn(-c2nc(OC)nc(N3CCCC3)n2)c1-c1ccccc1 1079379 WCLHDCDASBVDOI-UHFFFAOYSA-N 395.423 1.905 0 50 GDAA O=C1CO[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)[C@@H](c2cccnc2)N1 2100483209 ALQVZEQSHFJQNW-MOPGFXCFSA-N 383.404 1.115 0 50 GDAA Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)o2)n1 1857799825 FWKUIRJRGVLHFY-LBPRGKRZSA-N 380.426 1.396 0 50 GDAA Cc1nc(N[C@@H]2C[C@@H](Cn3cc(C(=O)O)cn3)C[C@H]2O)cc(-c2ccccn2)n1 2325786231 WCXWAPCXUMTLGN-FSPWUOQZSA-N 394.435 1.993 0 50 GDAA O=C(Cc1c[nH]c2nccc(Cl)c12)NC[C@H]1CC2(CCNCC2)C(=O)O1 2325795086 CRVKMZORODEMPA-GFCCVEGCSA-N 376.844 1.560 0 50 GDAA O=C(N1CCC2(C=Cc3ccccc3O2)CC1)C12C3C4C1C1C2C3C41c1nn[nH]n1 2325808316 QCMCPJSQPLLAIP-UHFFFAOYSA-N 399.454 1.656 0 50 GDAA O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cnn(C2CCNCC2)n1 2325820793 AZPNDPIKSRFIDR-UHFFFAOYSA-N 378.436 1.665 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N=S2(=O)CCC3(CC2)OCCO3)cc1 2325889994 OIEJNGMDJBLXLR-UHFFFAOYSA-N 378.450 1.981 0 50 GDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)nc2c(C)cccn2c1=O 623055 BLCOMUQWJFTCCN-GFCCVEGCSA-N 376.800 1.847 0 50 GDAA COC(=O)c1cc(OC)cc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c1 2356154178 LHRVCDCIJTUQFH-NRFANRHFSA-N 396.447 1.805 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)NCc3cccnc3-n3cncn3)cn12 2356164077 DEUFYJVFNSFKMX-UHFFFAOYSA-N 399.418 1.641 0 50 GDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(Cl)c(OC)c(OC)c1OC)C2 2356167491 QJLDRSFHOSOWKT-YPMLDQLKSA-N 399.827 1.627 0 50 GDAA CCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)OCC)CC2)cc1 2875442 ZXVIXNSKXDXILO-UHFFFAOYSA-N 396.509 1.719 0 50 GDAA COCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 4996106 RKSUIPZVKKZXLE-UHFFFAOYSA-N 378.450 1.653 0 50 GDAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NC[C@@H]2CCCOC2)c1 56130016 HAVKAVUTVWIPRK-NSHDSACASA-N 380.388 1.684 0 50 GDAA Cc1ccc(C(=O)NCCCN2CCCC2)cc1S(=O)(=O)N1CCOCC1 10450166 PSFNQIMIZQBECA-UHFFFAOYSA-N 395.525 1.232 0 50 GDAA Nc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ccn1 67885131 IBEDTTZIHKIUPY-QGZVFWFLSA-N 385.512 1.603 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3nccs3)C2=O)c1 67886049 XXIUUIKYCMMVJQ-IBGZPJMESA-N 393.484 1.977 0 50 GDAA O=C(NCCNS(=O)(=O)c1ccccc1)c1c(O)c2ccccc2oc1=O 2495530 INAFULZBNYWWHL-UHFFFAOYSA-N 388.401 1.207 0 50 GDAA C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 229882321 MPCSHMFMEALZLT-IPELMVKDSA-N 383.448 1.510 0 50 GDAA CCO[C@@H]1C[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)C12CCOCC2 368659253 MXENGMNECGXHDI-VXGBXAGGSA-N 382.379 1.755 0 50 GDAA O=C(c1cc2n(n1)CCO2)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 377893159 GZQQXDMRNAXTQN-UHFFFAOYSA-N 388.449 1.263 0 50 GDAA COCCn1c(CNC(=O)c2nn(C)c(=O)c3ccccc23)nc2ccccc21 218461957 FSKSLVGVJYQRCV-UHFFFAOYSA-N 391.431 1.860 0 50 GDAA CO[C@@H](C)c1noc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)n1 175040901 AFBNICBWIZZZHP-NSHDSACASA-N 386.499 1.781 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc([C@H]4CCOC4)ncn3)CC2)cc1 426667426 JAAWWLUFCKOICE-INIZCTEOSA-N 388.493 1.800 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 91643548 RKFTYYZTHWVJMJ-JKSUJKDBSA-N 377.489 1.446 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CN(C(=O)N(C)C)C[C@@H]2C2CC2)c1C 95368983 ADKWKXDONGBMEC-CVEARBPZSA-N 375.473 1.211 0 50 GDAA Cc1nn(C)cc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 95497138 BVUQKVWRRYYXKS-UHFFFAOYSA-N 396.495 1.768 0 50 GDAA O=C(CCn1cncn1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91664644 FAQJAXZUIYRPHX-UHFFFAOYSA-N 396.495 1.537 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2 91475555 BPPAKQFQAXNTPR-DOTOQJQBSA-N 375.444 1.296 0 50 GDAA O=C(O)[C@@]12CN(Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]1CN(c1ncccn1)C2 96149816 OPKKXPOFCLIEKN-BFUOFWGJSA-N 396.476 1.951 0 50 GDAA Cc1cccc(-n2nc(COc3ccccc3)nc2CN2CC(=O)NC2=O)n1 97546525 SQBIXBFMFJJIIW-UHFFFAOYSA-N 378.392 1.602 0 50 GDAA O=C(CCn1cncn1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91679639 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COc1cc(CNCC(C)(C)CO)ccc1OC[C@@H](O)CN1CCSCC1 11838672 NRAHQGVILNQZPX-KRWDZBQOSA-N 398.569 1.592 0 50 GDAA Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1C 14742085 IXUIWGBIEWXPPS-TYPHKJRUSA-N 393.487 1.809 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccccc2)C1)C1CCOCC1 1857684284 GYSJPDXCMPLROG-UGKGYDQZSA-N 385.508 1.843 0 50 GDAA COc1ccccc1CCC(=O)N[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=N)s2)C1 1857685327 IBCWTBWIFRWMGP-KGLIPLIRSA-N 388.493 1.964 0 50 GDAA Cn1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)ccc1=O 1857695583 PTYCPNQGSNJHRZ-NRFANRHFSA-N 380.448 1.879 0 50 GDAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 1857701767 VMQUYESKQZINEP-KYNGSXCRSA-N 394.493 1.746 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cccnc3)CC(=O)N2[C@H]1c1ccccc1 1857715666 CDPADWHGDMZEDD-WFXMLNOXSA-N 393.443 1.598 0 50 GDAA CCCN(C)C[C@@H](O)C1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 1857740172 BODFESNRKFQJBX-LJQANCHMSA-N 386.500 1.276 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2 248023565 RWVRZMCIDOKPNL-CJNGLKHVSA-N 379.407 1.045 0 50 GDAA N[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 158251826 USMROWJKXZZNOK-ZDUSSCGKSA-N 389.315 1.953 0 50 GDAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](C(=O)O)C1 262943609 IAONQSLXYJKSOK-PELKAZGASA-N 376.178 1.668 0 50 GDAA C[C@]1(C2CCN(C(=O)c3cc(C(F)(F)F)nn3C3CC3)CC2)NC(=O)NC1=O 1875307466 ZQBDXOZDAGVRTF-MRXNPFEDSA-N 399.373 1.687 0 50 GDAA COc1cc(C(=O)N2CCC(CNc3ncnc4c3ncn4C)CC2)ccn1 1875326933 LWBYRUOWKRPKKM-UHFFFAOYSA-N 381.440 1.731 0 50 GDAA COc1ccc(-c2cc(=NC(=O)[C@@H]3Cc4ccccc4C(=O)N3)[nH][nH]2)c(OC)c1 2100482283 NTWDWHXXGQDTHE-KRWDZBQOSA-N 392.415 1.809 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cc[nH]n3)OCC(=O)N2C2CC2)cc1 2100555217 NBJOBMJFTHIKPC-MOPGFXCFSA-N 384.436 1.208 0 50 GDAA O=C(NCc1cnn2c1CNCC2)c1cn2c(Br)cccc2n1 2325792400 YJEJYBDNQQEXDH-UHFFFAOYSA-N 375.230 1.327 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ncccn1)n2CCc1ccccc1 1266870 JEEFWIHPRQTXGY-UHFFFAOYSA-N 380.433 1.607 0 50 GDAA CC(C)N1CCC[C@]2(CCCN2S(=O)(=O)c2ccc(C(=O)O)cc2)C1=O 2356154729 HQIUVDMNOSKSTD-SFHVURJKSA-N 380.466 1.939 0 50 GDAA COC(=O)N1CCN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)CC1 2356155277 ACTMWKMAHUTQPE-NVAPDCRFSA-N 398.463 1.229 0 50 GDAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)Cn2ccnc2)CCCN1 2356161739 HQGVXDCGFZRARW-LJQANCHMSA-N 383.496 1.733 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 8994513 ZFKCOTJIIPVAKN-UHFFFAOYSA-N 398.850 1.692 0 50 GDAA CCOC(=O)CN(C)c1ncc(CN2CCN(C(=O)C(C)(C)C)CC2)cn1 55384488 PEKWSTHITUFEFH-UHFFFAOYSA-N 377.489 1.166 0 50 GDAA COc1ccc(CN2C[C@H](C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)CC2=O)cc1 225622687 XWXQJWDWBOPBEK-INMHGKMJSA-N 387.436 1.001 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCC(F)(F)F)C2 20819388 ROBWUPLDJQGDSU-CYBMUJFWSA-N 387.450 1.690 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2 65534064 RSSVUZPNNIYWEG-UHFFFAOYSA-N 392.393 1.512 0 50 GDAA CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)C1CCOCC1 55370954 GIUNGCVOUGHIRG-INIZCTEOSA-N 381.423 1.293 0 50 GDAA CC[C@@H](COC)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67673967 UTPFCDGBTHXELI-KRWDZBQOSA-N 376.501 1.855 0 50 GDAA CC[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccn[nH]3)o1)C2 218817595 XHTFHNKIJXBBRX-CQSZACIVSA-N 377.426 1.514 0 50 GDAA C[C@@H](Oc1cccnc1)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 117766885 YHVYASPLUGEPAG-CQSZACIVSA-N 379.420 1.710 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c1 467927319 PTIKIGMSMHKKJM-LPWJVIDDSA-N 378.372 1.889 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nnc(-c2ccccc2)o1 12432766 WLSSLJRKIFMJEX-KRWDZBQOSA-N 399.495 1.932 0 50 GDAA CC(C)CN1CCN(C(=O)c2cccc3ncccc23)[C@H]2CS(=O)(=O)C[C@H]21 77423085 RZQVBMDYJCYQLR-MOPGFXCFSA-N 387.505 1.814 0 50 GDAA Cc1cnn(CCC(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)c1 72436698 QWTWHXYTVUWMKW-HXUWFJFHSA-N 375.517 1.374 0 50 GDAA O=C(c1ccccc1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71721603 WTDLJWLVMBYKTG-IBGZPJMESA-N 385.508 1.862 0 50 GDAA CN1C(=O)C[C@@H](C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@@H]1c1ccnn1C 367819956 AOCVMINUEFWMFT-ADLMAVQZSA-N 385.399 1.602 0 50 GDAA O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCc3ncsc3C2)cc1 445557578 MTCVYHAOASACCI-UHFFFAOYSA-N 380.447 1.938 0 50 GDAA O=C(c1nc2sccn2c1CN1CCCC(CO)(CO)C1)N1CCCC1 71757090 GZMANXBTLGUBBF-UHFFFAOYSA-N 378.498 1.199 0 50 GDAA O=C(NCCNc1ccccn1)C(=O)N1CCc2ccc(Br)cc21 491309912 ZVQIYWQFEMWUOT-UHFFFAOYSA-N 389.253 1.962 0 50 GDAA O=C1C[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CN1Cc1ccco1 371630521 ZKBDPKQMGZAJQX-IAGOWNOFSA-N 375.469 1.341 0 50 GDAA C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C 241132921 JNEFGVXAOCDZKM-QWRGUYRKSA-N 381.395 1.769 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)nc2ccccn12 129446501 KPABBQHEXWGNRQ-JTQLQIEISA-N 396.860 1.539 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCCC[C@@H]3CO)c12 72425333 QSYIBUSBASMZAJ-MRXNPFEDSA-N 381.484 1.992 0 50 GDAA CCOc1ccccc1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 220268554 OIOGUKDUACVNKL-KRWDZBQOSA-N 379.482 1.376 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1 426420539 HGTRKRLAWZHFQT-MRXNPFEDSA-N 375.469 1.979 0 50 GDAA CCOC(=O)N1CCC(N2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)CC1 20776468 VESSEQXYVDDQSG-FQEVSTJZSA-N 390.528 1.880 0 50 GDAA Cc1c([C@@H](C)NC(=O)CN2CCCS2(=O)=O)cnn1-c1ccc(F)cc1 193399700 DOUWLOSFNLQSEV-GFCCVEGCSA-N 380.445 1.533 0 50 GDAA COCCc1noc([C@@H]2CCCN(C(=O)NCCSc3nccn3C)C2)n1 426555878 JBSSDVPZHIWBKZ-CYBMUJFWSA-N 394.501 1.673 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C(C)C)CN1C1CCOCC1 96166706 BRTYKXKKKNNUMS-YJBOKZPZSA-N 376.501 1.557 0 50 GDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCSCC2)CC1 95517155 KJMJBODKWQFCRU-UHFFFAOYSA-N 384.523 1.678 0 50 GDAA CN(C)C(=O)NCC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91476766 QFCSEIJNXBRSIF-UHFFFAOYSA-N 387.484 1.084 0 50 GDAA COCc1noc(C[C@H]2CN(C(=O)Nc3cc(C(C)C)nn3C)CCO2)n1 96148810 PIBVKQGADVWZQP-LBPRGKRZSA-N 378.433 1.548 0 50 GDAA O=C(NCCCn1ccnc1)Nc1cccc(OCC(=O)N2CCOCC2)c1 95498197 ABPURUXTDCAGDV-UHFFFAOYSA-N 387.440 1.333 0 50 GDAA C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCC(=O)O)C[C@H]2CCCO2)C1=O 299749532 KPVSOKDOYKIIES-LSDHHAIUSA-N 390.436 1.673 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)c3ccccc3)C[C@@H]1N(CCS(C)(=O)=O)CC2 534640011 SUDXMPJHMPEZRW-ZIFCJYIRSA-N 380.510 1.473 0 50 GDAA COc1ccc(CNC(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)cc1F 584904158 UEVHYWRYALDZGR-SFHVURJKSA-N 376.476 1.756 0 50 GDAA O=C(CCCn1cncn1)NCC1CCN(C(=O)Cc2cccs2)CC1 952972338 GMAAXKMDHIYCCY-UHFFFAOYSA-N 375.498 1.717 0 50 GDAA Cc1csc(C(C)(C)NC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 170646856 QGWSHGGVFIWBOC-LBPRGKRZSA-N 376.486 1.915 0 50 GDAA Cc1ccn(C[C@@](C)(O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(=O)c1 279597460 QUDYDGFNBSHJFO-SIKLNZKXSA-N 383.492 1.689 0 50 GDAA CCN(Cc1nc(C(C)C)no1)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1506397130 NPMRNAOGTXNAGJ-HNNXBMFYSA-N 398.529 1.441 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CC(=O)N1 1506396532 IAXYXIMTHNGHIY-ZETCQYMHSA-N 378.332 1.198 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529151926 HMWLFOVWZRGDQH-SJLPKXTDSA-N 378.494 1.172 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCN=c2cc[nH]cc2C)OCC(=O)N1C 1529195068 FDWIAINBCGFQNU-UXHICEINSA-N 382.464 1.247 0 50 GDAA Cc1nc[nH]c1CN1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@]2(CO)C1 1772810320 GBRUBKZUWRXEEF-RXVVDRJESA-N 383.496 1.397 0 50 GDAA O=C(c1ccccc1)N1C[C@@H]2CN(c3ncc4c(n3)CCCC4)C[C@@]2(CO)C1 1772812203 INOHTCJJJRVUSN-XMSQKQJNSA-N 378.476 1.926 0 50 GDAA Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)CC4=CCCC4)C[C@@]3(CO)C2)cs1 1772706422 RUNCSJLCJDQYEF-KXBFYZLASA-N 375.494 1.845 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1 206247168 YMMSOPCVJWSFRQ-IMBTUZDBSA-N 397.475 1.877 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)Cn3cccnc3=O)C1)CC2 1857687046 IYMSQSBLEKUZAJ-NRFANRHFSA-N 397.479 1.543 0 50 GDAA CCCNC(=O)[C@@]12CCCN(C(=O)Cc3n[nH]c4ccccc34)[C@H]1CN(C)CC2 1857692127 PUQCPNVFEUAZHO-SIKLNZKXSA-N 397.523 1.945 0 50 GDAA O=C(O)CN1CC[C@]2(C1)CN(CC1=Cc3cc(Cl)ccc3OC1)CCO2 1857705615 OALBECFHJNOETM-IBGZPJMESA-N 378.856 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1.256 0 50 GDAA NC(=O)N1CCC[C@H](C(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)C1 23312377 IYLLHPRZBUXWEV-INIZCTEOSA-N 382.468 1.899 0 50 GDAA CC[C@@H]1C[C@@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)CCO1 420892564 JCAJSYOYEROOJO-LSDHHAIUSA-N 381.498 1.620 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)c3nnn(Cc4ccccc4)c3C)C2)n[nH]c1=O 67774605 WICHWYXTTZVKTI-MRXNPFEDSA-N 395.467 1.559 0 50 GDAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)C1 65371088 WUKHGHACLFPITR-KDOFPFPSSA-N 383.448 1.850 0 50 GDAA Cc1nc(NCCNC(=O)c2sc(C)nc2C)cc(N2CCOCC2)n1 67604347 ADRMAOZLAJYFDZ-UHFFFAOYSA-N 376.486 1.537 0 50 GDAA CC(C)n1cc(C[C@H]2N=C(O)N(CC(=O)N(C3CCCC3)C3CC3)C2=O)nn1 328610127 GNRGAIHKOUAOQD-MRXNPFEDSA-N 388.472 1.460 0 50 GDAA CCc1noc([C@@H](C)N2CCC[C@@H](n3ncc(N(C)CCOC)cc3=O)C2)n1 328605206 MKQIOUREAZZRKE-HUUCEWRRSA-N 390.488 1.669 0 50 GDAA O=C(c1csc(C(F)(F)F)n1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 329026022 VLJZVNJLJWGUCP-UHFFFAOYSA-N 395.388 1.032 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cnccc1C)CO2 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CC(C)c1nc(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)cs1 95376395 PIQCGYJGQVGWFO-HUUCEWRRSA-N 378.542 1.773 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92081137 KLUPDHZEAPSOSB-KRWDZBQOSA-N 396.495 1.741 0 50 GDAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCS(=O)(=O)N1CCCC1 97307201 ZIGJTILEWSIHFA-UHFFFAOYSA-N 382.486 1.244 0 50 GDAA COc1cc(NC(=O)c2cc(N)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1 299780602 AMMRERFOOHMTJJ-UHFFFAOYSA-N 379.438 1.789 0 50 GDAA O=C(O)CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299769667 RDGYQOPKUHUPBY-KRWDZBQOSA-N 380.416 1.371 0 50 GDAA COC(=O)c1ccc(OC)c(NC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 299774186 BYLWUYOTJGWYBH-HOTGVXAUSA-N 377.441 1.545 0 50 GDAA CCCn1cc(C(=O)NCC2CCN(c3nc(N)nc4[nH]cnc34)CC2)c(C)n1 952986333 ZLJSPODQZAXLHJ-UHFFFAOYSA-N 397.487 1.496 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3CN2C)cs1 952981070 ULGOFZZTMJGKIV-OAHLLOKOSA-N 393.534 1.785 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 170086699 NCOMPCNPROKYOK-LRDDRELGSA-N 390.406 1.371 0 50 GDAA O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCOC[C@@]12CCOC2 194425408 VBRGNOQSAAAJPH-INIZCTEOSA-N 382.342 1.918 0 50 GDAA COc1cccc(C2=NO[C@H](C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)c1 791706404 UMKLITHPJXAECR-KRWDZBQOSA-N 385.399 1.466 0 50 GDAA O=C(NCC(=O)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1)c1ccccc1 1529173692 OHQYJJNZSBAKLY-SIKLNZKXSA-N 382.460 1.231 0 50 GDAA COc1ccccc1-c1ccc(N2CCN(c3ncccc3C(N)=O)CC2)nn1 1529167971 UQCUSYAPKHHGEA-UHFFFAOYSA-N 390.447 1.973 0 50 GDAA CNC(=O)CN1CCN(C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772815725 USIGJAFJDLCYTE-HNNXBMFYSA-N 399.520 1.200 0 50 GDAA O=C(CCC1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1)NC1CC1 11813672 TYPZOZHVICMRBX-UHFFFAOYSA-N 382.468 1.632 0 50 GDAA O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12391718 QUWSVXOOBZIYNT-UHFFFAOYSA-N 394.503 1.900 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(F)(F)F)c(OC)c1 12443545 JNSWRMACDWGYCD-CYBMUJFWSA-N 389.374 1.073 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 13540635 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O=C(CCNC(=O)c1ccccc1F)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857725842 PKKLWZOCAUSXQG-MPGHIAIKSA-N 375.444 1.314 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@H]1N 1857728167 QEBGOJNAVFJBFS-CGTJXYLNSA-N 397.541 1.476 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CC[C@]21CCCN(Cc2cccnc2)C1 1857741033 ZAORXFNCEFGVBK-NRFANRHFSA-N 381.480 1.894 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccc3ncnn3c2)cc1OC 1875243663 RASQJFGNLZHILP-HKUYNNGSSA-N 398.419 1.321 0 50 GDAA CN1N=C(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)CCC1=O 262857221 WAXUWDQFXPLMFX-HNNXBMFYSA-N 386.408 1.313 0 50 GDAA Cc1cc(CN=c2ccc3nnc(-c4ccccn4)n3[nH]2)ccc1S(N)(=O)=O 1875324267 PHAJMFZIHMVPBA-UHFFFAOYSA-N 395.448 1.176 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnn1C1CCOCC1 1875403651 XJRNVYNTDKCZCG-SRCQZFHVSA-N 393.875 1.654 0 50 GDAA Cn1ccnc1[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)NC(=O)NC1=O 1775985526 IQUWITCTUKAETK-VEVIJQCQSA-N 387.827 1.028 0 50 GDAA CCCCSc1nnc(NC(=O)CSc2nnc3n(N)cnn23)s1 2855177 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CCCc1nn(-c2ccc(Cl)cc2)c(=O)n1CC(=O)NC1CCOCC1 77517444 DITZVJWFYUVIBD-UHFFFAOYSA-N 378.860 1.935 0 50 GDAA O=C(c1nc2ccccn2c1CN1CC(O)C1)N1CCN(C2CCCCC2)CC1 71747943 GZCZVSARXCTPOP-UHFFFAOYSA-N 397.523 1.601 0 50 GDAA COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3nnc(C)n3n2)C1 32104102 LXEMXTAHFOLBQK-INIZCTEOSA-N 380.452 1.974 0 50 GDAA CCCCC(=O)N1CCN(Cc2cnn(CC)c2C)[C@H]2CS(=O)(=O)C[C@H]21 77503643 VWLVXWVLBMPGSQ-DLBZAZTESA-N 382.530 1.211 0 50 GDAA CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCN1C[C@H](C)O 378567363 BQMWLNBMTJARCY-JZXOWHBKSA-N 389.496 1.300 0 50 GDAA CCCc1cc(C(=O)N2CCN(C(=O)CC)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 72436268 FSCKGWMFSVUQON-CABCVRRESA-N 384.523 1.561 0 50 GDAA CN(CCOc1cccc(CNC(=O)[C@@H]2CCC(=O)N2C)c1)C1CCOCC1 497097448 MLMWXXDHARFGGJ-IBGZPJMESA-N 389.496 1.413 0 50 GDAA Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccccc3F)ncn2)n1 82230676 NKLWGLAQMBDODB-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2CCCO)CC1 91829676 WACFYMLLZIFSJD-APWZRJJASA-N 389.544 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CC[C@@H](C)[C@H](O)Cc1nc(Cn2cncn2)nn1-c1ccnc2cccnc12 1875336096 RWTVQHUUHNYJMW-CZUORRHYSA-N 378.440 1.800 0 50 GDAA CC(=O)c1ccc(C(=O)N2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)s1 1073286292 CWKZNXHAKNTEAC-UGSOOPFHSA-N 379.482 1.531 0 50 GDAA Cc1cc(N)n(CC(=O)N[C@@H]2C[C@@H](C(=O)NCC3=CCCCC3)CC[C@H]2O)n1 2100545298 NOOIAIJTZSPBER-GVDBMIGSSA-N 389.500 1.036 0 50 GDAA C[C@H](NC(=O)COc1cccc(C(N)=O)c1)C(=O)N1c2ccccc2C[C@H]1C 2325751307 JVFNFNUXOPUAFL-KGLIPLIRSA-N 381.432 1.647 0 50 GDAA COc1cc(C)c2cc(C(=O)N3CC[C@@H](CNC(=O)c4cnn[nH]4)C3)[nH]c2c1 2325869580 UWIHVIPNWDHORY-LBPRGKRZSA-N 382.424 1.495 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4ccccn4)cc3C2=O)C(=O)N1 2325887096 UMJNYANYSVTXTL-HNNXBMFYSA-N 393.403 1.164 0 50 GDAA Cc1cccnc1C(=O)Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325895539 CPNSEXLNXDTHME-OAHLLOKOSA-N 378.388 1.403 0 50 GDAA Cc1cc(CC(=O)N[C@@H]2CC3(CN(C(=O)C4(C)CC=CC4)C3)n3ccnc32)no1 2332237668 GUVPQXNWCSVFFT-MRXNPFEDSA-N 395.463 1.877 0 50 GDAA 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NC(=O)CN1CC2(CCC1=O)CCN(C(=O)CCc1ccccc1F)CC2 91725151 AWWWOKSZIRYJFY-UHFFFAOYSA-N 375.444 1.475 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3nc(C)no3)C2)cc1 95504231 DJIMWEZEHIABRD-AWEZNQCLSA-N 380.470 1.577 0 50 GDAA CSc1ncccc1C(=O)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 244852992 VDDMYGSKWMAATP-MJBXVCDLSA-N 385.493 1.841 0 50 GDAA COc1ccc(CN2C[C@@H](C(=O)NCc3cc(C(=O)O)c(C)o3)CC2=O)cc1 299741661 ABYCMWGQUVUISN-AWEZNQCLSA-N 386.404 1.960 0 50 GDAA CSc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 299778240 ORGGYZJBUXLJPO-TZMCWYRMSA-N 376.438 1.105 0 50 GDAA COCCCn1cnnc1CNS(=O)(=O)c1ccc(OC)c2c1CCCC2 824396866 KEPOGHCQNZTSQR-UHFFFAOYSA-N 394.497 1.681 0 50 GDAA Cc1cccc(CN(Cc2ccccc2)C(=O)NC[C@H]2CN(C)C(=O)CO2)n1 584884601 IRRZSYQFDSINNQ-IBGZPJMESA-N 382.464 1.959 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)C2 670449164 CMERUNQMBCIFAK-GOSISDBHSA-N 385.443 1.064 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2-n2cccn2)C1 670457144 CNPQMCITWUGERN-MRXNPFEDSA-N 378.498 1.907 0 50 GDAA Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](Nc4ncccn4)[C@@H](O)C3)c12 1565510967 IXBBZEAUURHTTL-HOCLYGCPSA-N 394.435 1.886 0 50 GDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cnc3ccccn3c2=O)n1 952968213 KPZUUFQXTDWUHK-AWEZNQCLSA-N 383.408 1.634 0 50 GDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(CC(C)C)[C@H](CCO)C1 952985918 IQIZFBXIHKSPCX-QGZVFWFLSA-N 386.562 1.794 0 50 GDAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN(CCO)Cc2nccn2C)c1 952975023 WEJHWNUIUNONSW-UHFFFAOYSA-N 385.556 1.779 0 50 GDAA O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN(c3ncncc3Cl)CC2)C1 170597695 GJBVORPWIFBHNR-AWEZNQCLSA-N 377.876 1.427 0 50 GDAA COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)CN(C(C)C)CC3)c[nH]1 272952360 NFDCLYPQYYLRIL-UHFFFAOYSA-N 384.483 1.825 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Oc3cccnc3)cc2)CCO1 275867698 ZRUWMSSFHMNHEW-GOSISDBHSA-N 385.420 1.731 0 50 GDAA COc1nc(C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)cc2ccccc12 276424690 LNVNBQMUPJIILX-OAHLLOKOSA-N 392.463 1.962 0 50 GDAA O=C1NCCN1C1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 194388326 NFFWGAQEOLXDQM-OAHLLOKOSA-N 387.402 1.935 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@@]2(CO)C1 1772703368 MTFKQXXJKBLCLB-UGKGYDQZSA-N 392.507 1.532 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(c4cnccn4)C[C@@]3(CN(C)C)C2)nc(C)n1 1772816638 XUTFNHACPBHPEK-UZLBHIALSA-N 381.484 1.024 0 50 GDAA CN(C)C[C@@]12CN(C(=O)c3cccc(O)c3)C[C@H]1CN(C(=O)C1CC=CC1)C2 1772700882 FOERJTKQBCEXEQ-XMSQKQJNSA-N 383.492 1.821 0 50 GDAA O=C(NCCCn1nnc2ccccc21)[C@H]1CCC(=O)N(Cc2ccccn2)C1 12308971 ITAFZMGCQDVVFA-INIZCTEOSA-N 392.463 1.771 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 12374014 UPHBRYYDIOFJCQ-UHFFFAOYSA-N 383.452 1.783 0 50 GDAA CCn1cc(C(=O)N2CC(=O)N(Cc3ccc(OC)cc3)C[C@@H](OC)C2)cn1 14747400 IEVQCSHXXZBHTC-GOSISDBHSA-N 386.452 1.411 0 50 GDAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)C(C)C 14957936 QUSAWVSLSNRHNA-KRWDZBQOSA-N 383.439 1.539 0 50 GDAA Cc1sc2ncnc(N3CC[C@@H](O)[C@H](NC(=O)c4cnccn4)C3)c2c1C 1857671120 NQTFBXXPZQKIRQ-ZIAGYGMSSA-N 384.465 1.468 0 50 GDAA N=c1ccnc(N2CC[C@@]3(CN(C(=O)c4cnc5ccccc5c4)CCO3)C2)[nH]1 1857685460 JZBNFBDQVPMWJX-OAQYLSRUSA-N 390.447 1.559 0 50 GDAA CNc1ncccc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1875249498 XEVMTPBHBBAOOT-OALUTQOASA-N 397.479 1.433 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc2C[C@@H]1C 328634203 SZZZIYDHRFOFDY-DZGCQCFKSA-N 388.493 1.722 0 50 GDAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccccc1OCC(=O)N1CCCC1 365654550 RIRVEPZLGUQBAI-UYAOXDASSA-N 387.524 1.983 0 50 GDAA O=C(C1=NN2CCCN=C2N1)N1CCc2nnc(-c3cccc(F)c3)cc2C1 952895630 YVGNBMITCVTHOH-UHFFFAOYSA-N 379.399 1.146 0 50 GDAA CCOC(=O)c1ccc(N2CCCN(C(=O)c3ccn4nncc4c3)CC2)nc1 1875295228 UKVZZALIABOQAO-UHFFFAOYSA-N 394.435 1.654 0 50 GDAA CN(CCn1cccn1)C(=O)[C@]1(O)CC(=O)Nc2ccc(Br)cc21 1875323387 GSAKMMAAHUZAFQ-INIZCTEOSA-N 393.241 1.334 0 50 GDAA Cc1ccnc(N2CCC(N3C(=O)N[C@@H]4CN(C(=O)C5CC5)CC[C@H]43)CC2)n1 888103648 RFDUAOMECQQUDN-IAGOWNOFSA-N 384.484 1.159 0 50 GDAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)[C@]12C(=O)Nc1ccccc12 706097 OZVVZIZKULOTEE-HXUWFJFHSA-N 386.404 1.866 0 50 GDAA COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 2325760355 YSPCKYJNMDCLIB-PSGMQZRDSA-N 387.436 1.400 0 50 GDAA C[C@H]1CC(=O)NC[C@H]1C(=O)NC1(C(=O)NCc2cccs2)CCCCC1 2325784755 HSTDTZYNRUSACB-DZGCQCFKSA-N 377.510 1.956 0 50 GDAA CCS(=O)(=O)N1CCN(C(=O)Nc2cnc(Br)nc2)[C@H](C)C1 2325794598 JNKBWQAJWRFXTO-SECBINFHSA-N 392.279 1.127 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cccc3c2C(=O)NC3)c1 2325899111 OORFVSBDIHSJIQ-UHFFFAOYSA-N 381.392 1.179 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc4c[nH]nc4cc3C)C2)n(C)n1 867195886 MNBUEVRWSVYDGY-OAHLLOKOSA-N 388.497 1.861 0 50 GDAA COc1ccc(CC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc1 225719725 UXPBVLIWALHVEC-UHFFFAOYSA-N 382.464 1.093 0 50 GDAA CN1CCN(Cc2ccc(Cl)cc2)C[C@]12CCC(=O)N(CC(=O)O)CC2 107409277 KEAIXXQTBUGYFX-LJQANCHMSA-N 379.888 1.923 0 50 GDAA O=C1NCCN(Cc2ccccc2C(F)(F)F)[C@@H]1CC(=O)N1CCCCO1 55131201 HLZPLQZKQIQZKC-OAHLLOKOSA-N 385.386 1.950 0 50 GDAA CCOC(=O)[C@@H]1CCCN(c2c(NCCN3CCCC[C@@H]3C)c(=O)c2=O)C1 101529922 PUAYUEJQPPNIQO-LSDHHAIUSA-N 377.485 1.348 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 67602108 QRTPFGOPYFPAHG-UHFFFAOYSA-N 397.451 1.640 0 50 GDAA Cc1ccc(OC[C@H](O)CNC(=O)C2CCN(C(=O)N(C)C)CC2)c(C)c1 20208781 KJBVZASWDADSPY-QGZVFWFLSA-N 377.485 1.553 0 50 GDAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(OC)cc1 20455342 AJMLRLAOOSDPON-QGZVFWFLSA-N 383.514 1.781 0 50 GDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ncn1 67602065 YZFARLCBEVNRBW-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72412277 CUJLTMMGOZLTRK-RBUKOAKNSA-N 385.489 1.514 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 77298758 YJOMNBWONBIANL-ZDUSSCGKSA-N 377.466 1.262 0 50 GDAA CCC(CC)CN1CC2(CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)OC1=O 77553807 QYVIFZNMPCXWDJ-INIZCTEOSA-N 377.489 1.529 0 50 GDAA CN(C)C(=O)COc1ccccc1C(=O)N1CCC(N2CCCCC2=O)CC1 363801962 IJMPTPMPQZLDRO-UHFFFAOYSA-N 387.480 1.771 0 50 GDAA Cc1cnc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 72148821 QWDRMOIEFDNACM-UHFFFAOYSA-N 378.436 1.738 0 50 GDAA C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCN1CCNCC1 237518207 JJPLUGYQMZACRJ-AWEZNQCLSA-N 382.505 1.297 0 50 GDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCC(F)(F)F)cc(OC)c1 15065037 YYOWZRVQVIFQPM-CQSZACIVSA-N 389.374 1.073 0 50 GDAA CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 262180516 FHZJEWGLWQLUSL-UHFFFAOYSA-N 378.450 1.735 0 50 GDAA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 283064525 UHFOHEDIIFNHHQ-WDEREUQCSA-N 395.355 1.810 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)CC1 72139202 HEWVTGHPCSLHNZ-UHFFFAOYSA-N 394.884 1.923 0 50 GDAA O=C(O)c1cccc(CC2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)c1 72162267 QSOSIICRLMTBOB-MRXNPFEDSA-N 379.478 1.991 0 50 GDAA CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@]1(C)CCCO1)C2 375218462 MBLRDYVPDYIIBZ-GOSISDBHSA-N 381.498 1.574 0 50 GDAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71422437 SZJRMLQCFIDULP-LJQANCHMSA-N 396.539 1.840 0 50 GDAA CC[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1ccccc1 77135995 XBADQRLKDCLWOL-FUHWJXTLSA-N 381.542 1.890 0 50 GDAA Cc1ccc2ncc(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)c(O)c2c1 287910315 PPMJIEIOZPCYRB-YJYMSZOUSA-N 390.461 1.715 0 50 GDAA COc1ccccc1-c1ncc(CNC(=O)NC[C@@H]2CCNC[C@H]2O)s1 426429859 UCVPEUIRDKNSFO-SWLSCSKDSA-N 376.482 1.588 0 50 GDAA O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO 220271893 LYCKEBTWJDFXGC-DAWZGUTISA-N 380.448 1.536 0 50 GDAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 95516566 MIOPVODPTXBXPD-AWEZNQCLSA-N 376.482 1.483 0 50 GDAA O=C(NCc1ccc2c(c1)CCO2)N1CCN(c2ccc3nccn3n2)CC1 426389702 PDSGPIJVJGXPPS-UHFFFAOYSA-N 378.436 1.696 0 50 GDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 426530647 XLDFMKYWGZLXHA-LLVKDONJSA-N 376.438 1.365 0 50 GDAA CC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95520738 CQIISUOBEOZBGN-DLBZAZTESA-N 382.530 1.291 0 50 GDAA NC(=O)C1(C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)CC1 91817569 NDBJJNXKLQKJAU-UHFFFAOYSA-N 383.492 1.726 0 50 GDAA CC(=O)N1CC[C@@H](NC(=O)Cc2ccccc2OCc2ccccc2)[C@H](O)C1 426399338 CZSAWIZJADRMPB-WOJBJXKFSA-N 382.460 1.906 0 50 GDAA O=C(C1CCC1)N1CC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C[C@@H]2C1 95375619 DIJILEWZTFIYRX-DENIHFKCSA-N 388.508 1.643 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc(OC)c(O)c(OC)c2)c1O 253623968 WSSGNEVICOSWBG-SECBINFHSA-N 392.364 1.010 0 50 GDAA biogenic CSCC[C@@H](CO)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 252501303 UDRBNXZUGGKMIE-AWEZNQCLSA-N 381.885 1.794 0 50 GDAA COCC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)[C@H](O)C1 299802728 WGSCWVNDHANHRT-RTBURBONSA-N 386.423 1.831 0 50 GDAA O=C(CN1CCCCCC1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670449223 GSJODVYSRMZADB-RUDSSYLZSA-N 382.552 1.546 0 50 GDAA NC(=O)[C@@H](CC(=O)O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 958528037 NYCIDMRASSOCQA-GOSISDBHSA-N 397.431 1.443 0 50 GDAA COc1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 886024559 CATMOJRCQOMORH-UHFFFAOYSA-N 399.451 1.569 0 50 GDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 1565528909 XBGBFSRZSMZNMK-HIFRSBDPSA-N 386.901 1.910 0 50 GDAA Cn1c(/C=C(\CC(=O)O)c2nc3ccccc3o2)nc2c1c(=O)[nH]c(=O)n2C 222219471 PHZXMQVYVDZZDE-VQHVLOKHSA-N 381.348 1.117 0 50 GDAA Cc1cc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)c(Cl)cc1F 186125194 DKXOISIBEOFNDN-LBPRGKRZSA-N 389.880 1.372 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 1191635917 UXXYMCWLBHNGDC-UHFFFAOYSA-N 394.497 1.005 0 50 GDAA Cc1noc(C)c1CCC(=O)NC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 1506397841 DKWCNEPODOBCIR-CQSZACIVSA-N 383.456 1.923 0 50 GDAA Cc1cn(CC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c(=O)nc1O 1506415347 MUIUVHIHMBUEDK-KRWDZBQOSA-N 387.436 1.344 0 50 GDAA CCOc1ccc2nc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)ccc2c1 1529147007 SRDUNXNEGCJCCX-HNAYVOBHSA-N 393.509 1.318 0 50 GDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@@]4(CCC[C@H]4O)C3)cc21 1704315332 SIVQLYMJBNRRBR-MOPGFXCFSA-N 394.493 1.748 0 50 GDAA 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COc1ncccc1CCNC(=O)[C@]12CCCCN1C[C@@H](N=c1cncc[nH]1)C2 1857695907 DNQPFXIVEBPYBV-LAUBAEHRSA-N 396.495 1.070 0 50 GDAA O=C(NC[C@@]1(O)CCNC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857708751 LWXCGARJVWOZNG-GOSISDBHSA-N 378.860 1.538 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1857719174 GAYSQSAOUUSTJX-UHFFFAOYSA-N 394.884 1.917 0 50 GDAA Cc1ccc(N2CCC[C@H](OC(=O)Cn3nc4n(c3=O)CCCC4)C2=O)cc1 845233950 VZQDONTZVSMPRK-INIZCTEOSA-N 384.436 1.428 0 50 GDAA CCC1(C(=O)N2C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H](C(F)(F)F)C2)CC1 1875280797 BRJVEHQCMXUSLG-BXKDBHETSA-N 386.374 1.423 0 50 GDAA COC(=O)/C=C/C(=O)N1CCC(OC)(c2nc(Cc3ccccc3)no2)CC1 1875378993 JZMUTCZCVWONFM-CMDGGOBGSA-N 385.420 1.854 0 50 GDAA Cn1cc(CC(=O)N[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)cn1 1875402379 DZGWFFFMVDFTCK-ATZDWAIDSA-N 379.464 1.782 0 50 GDAA Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCc1noc(-c2ccccc2F)n1 888100948 GAYJPWSKBSVJBR-UKRRQHHQSA-N 386.387 1.939 0 50 GDAA CCc1ccccc1OCCN1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 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Cc1ncccc1Oc1ncnc(N2CC[C@@]3(CN(CC(=O)O)CCO3)C2)c1C 1857675841 GESMGDPGFALWBF-HXUWFJFHSA-N 399.451 1.646 0 50 GDAA CCCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)O)cc1Br 313825716 BYCGRUQNLZSGGG-UHFFFAOYSA-N 379.232 1.033 0 50 GDAA Cc1cc(S(=O)(=O)NC[C@H]2CCN(CC(F)(F)F)C2)sc1C(=O)O 237789668 SXFFOLONYXVQNH-SECBINFHSA-N 386.417 1.917 0 50 GDAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(Cn4cccn4)cc3)C[C@H]2C1 247839242 NHEVJYMYKLMYNX-UNMCSNQZSA-N 398.507 1.363 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1 1875369240 COYGRNCVSWTSDF-UHFFFAOYSA-N 397.401 1.569 0 50 GDAA Cn1cccc1C(=O)N1CC[C@](C)(NC(=O)CNC(=O)c2cccc(F)c2)C1 1875326314 PNTRYCVIZJEPQL-FQEVSTJZSA-N 386.427 1.315 0 50 GDAA Cn1nccc1[C@@H]1CN(S(=O)(=O)c2scc(Cl)c2Cl)C[C@H]1N 1875404255 BNRVXRHEQVAIPQ-VXNVDRBHSA-N 381.310 1.904 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)c2ccc(=O)n(-c3cccc(Cl)c3)c2)C[C@H]1O 1875403775 BKXJUOTWMQWROW-CZUORRHYSA-N 389.839 1.060 0 50 GDAA CCOCCC(=O)N1CCC(O)(CNC(=O)c2cnc3ccc(C)cn23)CC1 1775990665 HABJLLGUAZBMLW-UHFFFAOYSA-N 388.468 1.153 0 50 GDAA COc1c(C)[nH]ccc1=NC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100477242 VSAWJLMIZRFIKA-MJGOQNOKSA-N 382.420 1.285 0 50 GDAA CCN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 2325781232 ZIONBVGTFDIGNX-UONOGXRCSA-N 394.269 1.830 0 50 GDAA O=C(C[C@H]1CCc2ccccc2N1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 2325850609 CPLXQRDACNKWRZ-CABCVRRESA-N 390.465 1.466 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)C1 2325889176 CXTAOHIMSCVYBF-XCLFUZPHSA-N 384.436 1.447 0 50 GDAA C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325893483 PLWDXWFHVMOORZ-LRDDRELGSA-N 384.436 1.854 0 50 GDAA CC[C@H](OC)C(=O)N1CC2(C[C@@H](NC(=O)c3ccc(C)nc3C)c3nccn32)C1 2332238052 WVQGAOYLOWLCLS-SJORKVTESA-N 397.479 1.732 0 50 GDAA Cn1cnc2nc(N3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)ncc21 2356166766 MRLNWKMYMHUCLQ-IRXDYDNUSA-N 378.436 1.370 0 50 GDAA O=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccncc1 4867169 DENXBCAESKWIFA-UHFFFAOYSA-N 378.226 1.769 0 50 GDAA 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CNALUVSVXNBKKL-QGZVFWFLSA-N 398.511 1.766 0 50 GDAA NS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 176800176 CATWOUJSKJRUKG-AWEZNQCLSA-N 394.884 1.532 0 50 GDAA CCN1CCN(CC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 220583047 URDWNURONHOVCW-RKOYOZNISA-N 382.508 1.801 0 50 GDAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(O)cc2F)c1 426387363 YCOHSAXQXBXLQP-QGZVFWFLSA-N 385.395 1.275 0 50 GDAA CCOc1ccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1CO 95351996 BFIFXPSIYZAVDB-INIZCTEOSA-N 376.453 1.475 0 50 GDAA CCc1nnc(-c2ccc(OC)c(NC(=O)N[C@@H]3C=CS(=O)(=O)C3)c2)o1 96149982 CRNDTOLMVLYNFS-LLVKDONJSA-N 378.410 1.740 0 50 GDAA CC[C@H](C)CNC(=O)c1cccc(S(=O)(=O)N(C)CCc2ncon2)c1 95362327 ZWENHKFVVSDYAD-ZDUSSCGKSA-N 380.470 1.709 0 50 GDAA Cn1cc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 95381053 XDSLTLSJSVFXOT-PWIZWCRZSA-N 380.448 1.851 0 50 GDAA CNc1cc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccn1 97076565 ZXEXOSQNXRJXTQ-LVKMRUPZSA-N 377.492 1.421 0 50 GDAA CSc1cccc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1 91547978 HEWADLIZXPUWEX-CVEARBPZSA-N 377.510 1.109 0 50 GDAA CN(C)CCNC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccccc2)CC1 245255466 IOAVZAQTSPFAFO-SAABIXHNSA-N 388.512 1.017 0 50 GDAA O=C(C1CC1)N1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263618574 UKKKNLKDPBAHEG-IBGZPJMESA-N 385.443 1.743 0 50 GDAA Cc1cc(C(=O)N2CCOC3(CCN(C(=O)CC(C)C)CC3)C2)cc(O)n1 820906093 QCVLUIIOKVGTMM-UHFFFAOYSA-N 375.469 1.975 0 50 GDAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 268891396 KWQHNPQWRGECPP-BXUZGUMPSA-N 397.353 1.691 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCc2ccsc2)cn1 275471167 XZMXPHINHDWFRW-OAHLLOKOSA-N 382.511 1.688 0 50 GDAA O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccn2c(=O)[nH]nc12 277404673 SNHPQPOLJUIDDR-INIZCTEOSA-N 381.436 1.044 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@]2(CCOC2)O1 408326702 OVWKSYXZPUUXRZ-SJCJKPOMSA-N 386.470 1.376 0 50 GDAA COc1ccc(CCN2C(=O)O[C@H]3CN(S(=O)(=O)N4CCCC4)C[C@H]32)cc1 208255370 PLYYIBDVZHOCFA-SJORKVTESA-N 395.481 1.083 0 50 GDAA O=C(N[C@H]1CCCCNC1=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704329638 XHDGKFUSTVCBAL-HNNXBMFYSA-N 384.436 1.577 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704299203 NRQGUZICBPILES-QAPCUYQASA-N 377.448 1.838 0 50 GDAA CCCN1C[C@H]2CN(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)C[C@@]2(CO)C1 1772812252 JWNAJJSOFSAEHY-KSFYIVLOSA-N 398.507 1.501 0 50 GDAA Cc1noc(CNC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)n1 1776111936 YDOPKIQMAAOFMM-UHFFFAOYSA-N 379.438 1.817 0 50 GDAA NCC(=O)N1C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@@]2(CCc2ccccc2)C1 1772706507 SGHDVXKAHSYAGP-XMSQKQJNSA-N 394.475 1.279 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](N(C)CCc2ccccn2)C1 12319130 VMTGNQNIZAYRQX-SFHVURJKSA-N 391.541 1.760 0 50 GDAA CO[C@@H]1CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C1 14531642 LSTZAGNXQQIAOO-QGZVFWFLSA-N 382.416 1.915 0 50 GDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCCc1ccccc1)C2 14537017 IAFUWBCOBULNPZ-IBGZPJMESA-N 395.551 1.980 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc(C)c[nH]1 15073728 NJGZCEGYWDPYKK-KRWDZBQOSA-N 399.495 1.466 0 50 GDAA COc1ccccc1N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 18324013 LQIPFLKVWHEKPM-HOTGVXAUSA-N 385.464 1.519 0 50 GDAA COc1cc(CNCCN2CCOCC2)ccc1OCC(=O)NC(C)(C)C 19366905 HGIZNQNQWAUWBZ-UHFFFAOYSA-N 379.501 1.411 0 50 GDAA O=C(c1nnc2n1CCCC2)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857671444 SCRWCZOGDMAAED-FQEVSTJZSA-N 381.436 1.504 0 50 GDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnc4ccnn4c3C)C1)CC2 1857685606 ZLYQVFWGGCQAIF-HXUWFJFHSA-N 378.436 1.962 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc4c(c3)CCCO4)C[C@H]2CO1 1857687176 PRTNMEQKWDAULK-SQNIBIBYSA-N 387.480 1.061 0 50 GDAA Cn1nc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1Cl 1857690869 PSWWROBHUCDWGC-UHFFFAOYSA-N 383.861 1.052 0 50 GDAA COCc1noc(CNC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)n1 1857736355 QFMLNSFOCOVWLS-JTQLQIEISA-N 387.421 1.495 0 50 GDAA Cc1ccc(N2C[C@@H]3[C@H](CNC(=O)CN4CCCCC4)[C@H]4CC[C@]3(C2)O4)nc1 1875244405 ITPVJNZPFNKLDH-JZJXAQOMSA-N 384.524 1.976 0 50 GDAA Cn1cnc(C(=O)N2CCO[C@@H]3CC[C@H](C(=O)NCc4cccnc4)C[C@H]32)c1 1875246828 BFSIMRWTCKDXHM-CGTJXYLNSA-N 383.452 1.141 0 50 GDAA Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 1875250199 FQBPBFOPEGPNTG-KVSKMBFKSA-N 384.480 1.613 0 50 GDAA O=C(C1CCC1)N1CCN(CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247959248 WOGNYYQOAWQXBX-MOPGFXCFSA-N 376.522 1.729 0 50 GDAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC2(CCOCC2)C1 784751169 UKDGNYSHAPPWTG-HNNXBMFYSA-N 376.428 1.834 0 50 GDAA COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CCc2ccccc21 1875297595 XSMDZYCYOUQWTJ-DKSSEZFCSA-N 396.447 1.161 0 50 GDAA CN(C)CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cnn(C)c1)N2 1875331563 NQCACJKEYYAZIE-WCQYABFASA-N 385.394 1.568 0 50 GDAA CO[C@@H]1C[C@@H](N(C)c2ncnc3c2ncn3C2CC(CO)(CO)C2)C12CCC2 888097992 WTOJCYNKDIKOTD-HUUCEWRRSA-N 387.484 1.526 0 50 GDAA COc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 13815080 FJTVOFIJJBXTME-UHFFFAOYSA-N 397.435 1.146 0 50 GDAA CN1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(F)cc3ccoc23)NC1=O 2325793680 DDSIYXIQBWDMBZ-OAHLLOKOSA-N 390.415 1.516 0 50 GDAA Cc1ccc2c(c1)N[C@@H](C(=O)N1CC[C@@H](c3ccc(F)cn3)C1)NS2(=O)=O 2325804957 DZYQIYQLWNLQSE-SJKOYZFVSA-N 390.440 1.575 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4[C@H]5CC[C@H]54)cc3C2=O)C(=O)N1 2325900623 CFGMZRUXQHVKAM-ABFRBSLYSA-N 397.431 1.330 0 50 GDAA O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCC(N2CC(O)C2)CC1 2356165505 BSOVDRDUMIJEEM-OAHLLOKOSA-N 398.532 1.978 0 50 GDAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)c1 55132798 FVLNBBSQJJAXFN-IBGZPJMESA-N 382.464 1.140 0 50 GDAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@H](O)CO)co3)ccc2s1 67909504 LDSHHKUXGQIQME-NSHDSACASA-N 377.422 1.597 0 50 GDAA O=S(=O)(c1cccc(F)c1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67613034 JTONLLAVYVZYKQ-UHFFFAOYSA-N 388.428 1.312 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cn1 2800757 LELYEXJTKOUKKP-LLVKDONJSA-N 384.408 1.738 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3noc(C(C)C)n3)CC2)C1 71759910 HJUXXPZONLXTKG-MRXNPFEDSA-N 393.532 1.632 0 50 GDAA O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1F 333819711 IRQBXVRNNQWUAQ-KBPBESRZSA-N 376.837 1.306 0 50 GDAA CN1C(=O)N[C@]2(CCN(C(=O)NCC3(c4c(F)cccc4F)CCC3)C2)C1=O 334115826 HAZAANCDUBLPFK-IBGZPJMESA-N 392.406 1.722 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@H](C)n1cncn1)C(=O)N(C1CCCC1)C2 71479600 WWHXNYJGCMNLGG-LBPRGKRZSA-N 384.440 1.458 0 50 GDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC(F)(F)F)CC2 77408007 UHDYPFZDLSVHOH-LLVKDONJSA-N 394.415 1.573 0 50 GDAA CCN(CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)C1 285203521 VTAMRPSKOKTHLY-INIZCTEOSA-N 378.542 1.165 0 50 GDAA O=S(=O)(c1cccs1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 42379601 GEHCYHLVLZYGRZ-UHFFFAOYSA-N 376.467 1.235 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cn(C)nc1C)C2 91807178 VEEZWQNGSHNFPW-OPYAIIAOSA-N 390.528 1.708 0 50 GDAA COc1ccc(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)c(F)c1F 95354258 QKTDEPMMHIEQHN-ZIAGYGMSSA-N 381.423 1.438 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)C(=O)Nc3ccccc3)cc2C1 91677922 YHNIMBQCLVEDPR-UHFFFAOYSA-N 384.440 1.025 0 50 GDAA O=C(Nc1ccc(-n2ccnc2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 95528522 BRFIOROJLCQSAC-UHFFFAOYSA-N 383.452 1.975 0 50 GDAA CCc1oc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1CN1CCCC1 426495591 JNWKMIXRDFLZHK-UHFFFAOYSA-N 381.440 1.943 0 50 GDAA O=C(O)[C@@]12CN(Cc3cncn3C3CCCC3)C[C@@H]1CN(c1ncccn1)C2 96179896 KKMHYVUCTNEPQP-FOIQADDNSA-N 382.468 1.811 0 50 GDAA CCc1nn(C)c(Cl)c1CN1C[C@@H](CN2C[C@H](C)O[C@H](C)C2)[C@@H](CO)C1 91997140 GBQDNWQIVRYXPX-QKPAOTATSA-N 384.952 1.785 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)COCC(F)(F)C(F)F)CCN2C 95352577 CMLSWOIQGFFXHL-HNNXBMFYSA-N 383.386 1.059 0 50 GDAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 96153173 GRGYIFGCAGISKY-UHFFFAOYSA-N 384.484 1.602 0 50 GDAA CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 180419367 ILISDJNKNRWEOE-QGZVFWFLSA-N 378.494 1.681 0 50 GDAA C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 294252329 POZBAOIQIXFUSO-FUHWJXTLSA-N 399.499 1.098 0 50 GDAA Cc1cccc(N(CC(=O)N[C@H](c2ncnn2C)C(C)C)S(C)(=O)=O)c1 244882871 YATZWAFEAXFNAT-INIZCTEOSA-N 379.486 1.403 0 50 GDAA COc1cncc([C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)[C@H]2C[C@@H](O)C2)c1 244633146 FXMXPTUGWYVVOU-XCRHUMRWSA-N 380.408 1.308 0 50 GDAA CC(C)c1ccc(-c2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2)nn1 534584998 KHCQUTDEBLPIDU-UHFFFAOYSA-N 376.482 1.888 0 50 GDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1cccc(-n2cnnn2)c1 299334438 IFUJLMJEPKIIFC-YCPHGPKFSA-N 387.469 1.327 0 50 GDAA COc1ncc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1C(N)=O 268589753 UXUXBRGTTRPSLQ-LBPRGKRZSA-N 387.415 1.976 0 50 GDAA COc1ccc(S(=O)(=O)N(CCO)Cc2nccn2C)c2c1CCCC2 952974955 LMJHNVQADSWEPY-UHFFFAOYSA-N 379.482 1.491 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CCO2)cn1 189218801 WPGOADJKUAIZJW-SCLBCKFNSA-N 377.466 1.989 0 50 GDAA COc1ccc(-c2ncc(CN3CC[C@H](N4CCC(O)CC4)[C@@H](O)C3)cn2)cc1 1614374611 FBWLSDLAZXESNC-SFTDATJTSA-N 398.507 1.544 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1O 1529089942 DASHYMVJCLBRPC-AAEUAGOBSA-N 380.388 1.030 0 50 GDAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)ccc1N1CCOCC1 1704278138 BGMREDWYYQZGAN-TZIWHRDSSA-N 381.476 1.902 0 50 GDAA CC(C)CN1C[C@H]2CN(C(=O)Cn3[nH]nnc3=N)C[C@]2(CCc2ccccc2)C1 1772813864 XHOOFXGJYMJLMH-RXVVDRJESA-N 397.527 1.135 0 50 GDAA O=C(/C=C/c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC1CCCC1 1775983162 YWXKRVCVMWHIAH-KNJKRIMISA-N 390.505 1.678 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)c1OC 12595462 XEHSUMPGKPREDM-INIZCTEOSA-N 375.469 1.453 0 50 GDAA COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14541573 LFKVJBLLAIYGFN-VDGAXYAQSA-N 395.459 1.201 0 50 GDAA COc1cc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)cc(OC)c1 19224533 CFYQUGCAYRODDK-IBGZPJMESA-N 377.529 1.667 0 50 GDAA CN(Cc1cccc2cnccc12)C(=O)CCn1nnnc1CN1CCOCC1 19743935 JNHBVDBMNFFTRR-UHFFFAOYSA-N 395.467 1.102 0 50 GDAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4576579 FFWJBIQGXPDRPX-QJISPJEISA-N 388.445 1.662 0 50 GDAA O=S1(=O)CC[C@H](n2nc(-c3ccccn3)nc2-c2cccc3nn[nH]c23)C1 1857680442 NOLRTGRAMMXYFE-NSHDSACASA-N 381.421 1.638 0 50 GDAA O=C(Cn1nc2ccccc2n1)N[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1O 1857680890 XKTGPBZKYKSKPP-MSOLQXFVSA-N 385.468 1.090 0 50 GDAA CC(C)CCCC(=O)N1CCC[C@@]2(CN(CCn3cnnc3)CC[C@H]2O)C1 1857681868 PJPRHOHJZLVTOY-UYAOXDASSA-N 377.533 1.780 0 50 GDAA O=C(c1ccccn1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857724520 ZTKBQMBGDULEOU-UHFFFAOYSA-N 395.463 1.534 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnccn3)CC(=O)N2[C@H]1c1ccccc1 1857733553 OIPMHWOTRKOGHL-MPGHIAIKSA-N 380.404 1.064 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3[nH]cnc3C)CC(=O)N2[C@H]1c1ccccc1 1857737235 CICJMEUDBVHEFT-MPGHIAIKSA-N 382.420 1.305 0 50 GDAA CN=c1[nH]c(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)ncc1F 1857739756 QUOYDZGEAUQTMI-FAYLSGKYSA-N 387.415 1.086 0 50 GDAA COCCn1nnc([C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CCO2)n1 1875240654 DFOZNAQVFJTBBC-AWEZNQCLSA-N 387.362 1.792 0 50 GDAA COC(=O)[C@@]1(C(C)C)N[C@@H](c2cnc3ccccc3n2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210308688 JBARCZJNVQDYPU-ULMVMLMRSA-N 382.420 1.073 0 50 GDAA CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 4136463 WRXSFBCYMQCEHM-UHFFFAOYSA-N 396.495 1.198 0 50 GDAA CCOc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)ccc1OCCN(C)C 1704306536 OGDVDEDZWBDBHT-MSOLQXFVSA-N 391.512 1.315 0 50 GDAA CN1C[C@@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)c1occ3c1CCC3)C2 1875288733 AIOPQOPIRDURHI-INIZCTEOSA-N 381.480 1.796 0 50 GDAA O=C1CC2(CCC2)[C@H](C(=O)Nc2nnc3ccc(Br)cn23)CN1 1875284206 ORIZXSCXBSMYHF-JTQLQIEISA-N 378.230 1.737 0 50 GDAA C[C@H]1C[C@@H](CNC(=O)[C@H](C)Cn2ccnc2)CN1C(=O)c1cc2nc[nH]c2cn1 1875352784 DXWKSBKDCHDGOC-ILXRZTDVSA-N 395.467 1.458 0 50 GDAA O=C(NC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1)[C@H]1Cc2ccccc2O1 1875325272 KSDIOIKKKFNQHW-DYESRHJHSA-N 391.471 1.844 0 50 GDAA CS(=O)(=O)c1ccccc1CCNC(=O)C1(CN)CC2(CC(F)(F)C2)C1 1875304159 BRVXXQMAURJMTK-UHFFFAOYSA-N 386.464 1.903 0 50 GDAA CCn1cc(CC(=O)N2CC[C@]3(CCN(C(=O)c4sccc4C)C3)C2)nn1 1875357978 DUSKUJARZKJNBN-IBGZPJMESA-N 387.509 1.975 0 50 GDAA CC(=O)N1CCC(S(=O)(=O)CCc2ccc3c(c2)OC(F)(F)O3)CC1 888102282 UPTSCEMOQVQWHG-UHFFFAOYSA-N 375.393 1.976 0 50 GDAA O=C(NCc1cccn2nccc12)c1cn2c(n1)CCN(C1CCOCC1)CC2 2100547633 MGAKPIRGQJPJHG-UHFFFAOYSA-N 394.479 1.498 0 50 GDAA CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC3(CCOCC3)C[C@H]2CC(=O)O)C1 2325812858 MXVVDASBADCKSX-CABCVRRESA-N 396.484 1.132 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(N3CCNC3=O)c2)CC[C@@H]1O 2356134208 DPRFMDYJQWSOAX-HNAYVOBHSA-N 375.425 1.294 0 50 GDAA CN(C(=O)C1(Cc2ccc(Cl)cc2)CNC1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356134631 VOKFBBWPOFEFPM-UXLLHSPISA-N 375.900 1.845 0 50 GDAA COc1cccc(NC(=O)N[C@@H]2C[C@@H](C(=O)NCCCO)CC[C@H]2OC)c1 2356165462 AKXITCGQWQSOLM-IAOVAPTHSA-N 379.457 1.499 0 50 GDAA Cn1c(=O)c2cc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cnc2n(C)c1=O 280735883 RKQNWQDVZFSBEU-NNUKFRKNSA-N 382.395 1.447 0 50 GDAA CC[C@@H](C)S(=O)(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67688534 NUEFFNFCAAVGQL-CQSZACIVSA-N 378.498 1.927 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCOCC3)[C@H]4C2=O)cc1C 77301939 ZIRUULRRSJUSJY-MXBUBSDBSA-N 396.487 1.834 0 50 GDAA C[C@@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C[C@@H]1CN 331522628 QEMIANSYIQTWNR-OAGGEKHMSA-N 396.557 1.645 0 50 GDAA Cc1cc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c2cnn(C(C)C)c2n1 126007966 UQRXMKCSORQLBC-OAHLLOKOSA-N 398.511 1.746 0 50 GDAA O=C(NCCc1cn[nH]c1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71575550 WNQMSCLBNJUSAQ-FQEVSTJZSA-N 396.539 1.840 0 50 GDAA Cn1cnc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)c1 77301113 UUTLZTQZXACEHW-HNNXBMFYSA-N 376.482 1.450 0 50 GDAA O=C(c1ccc[nH]1)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1 77299117 DZVXXEVMFLTVRE-UHFFFAOYSA-N 375.450 1.234 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3noc(C(C)C)n3)CC2)C1 71758755 PPDUXAFQLDHOFU-HNNXBMFYSA-N 379.505 1.636 0 50 GDAA NC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72146408 OJRARPLCTXFTFT-INIZCTEOSA-N 379.892 1.121 0 50 GDAA C[C@H](O)CN1CCC(CN(C)C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 130392902 DHAVRLFROHODJP-ZDUSSCGKSA-N 377.460 1.875 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)CN3CCCCCC3)cc2C1 82096637 PIUUECSWLFNBLT-UHFFFAOYSA-N 376.505 1.263 0 50 GDAA O=C(CNC(=O)c1ccccc1)NCc1ccccc1CN1CCC(O)CC1 176688311 CYIPBXPCZIVTRH-UHFFFAOYSA-N 381.476 1.690 0 50 GDAA Cc1nn(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c(C)c1C 91933131 VXONIKFIFSWLSH-HXUWFJFHSA-N 378.517 1.130 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc3nc(C)sc3c2)C[C@@H]1CO 91997562 WGRCFEJDHUNNQZ-HZPDHXFCSA-N 377.510 1.863 0 50 GDAA COc1cccc2c1OC[C@@H](CNC1CCN(C(=O)c3cnccn3)CC1)C2 95358367 DVSGYKZSAISDGJ-OAHLLOKOSA-N 382.464 1.931 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccccc3SC)C[C@@H]2C1 92066145 NZSXRGUGEVWQBP-LIRRHRJNSA-N 378.494 1.480 0 50 GDAA CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 180156727 VIQYLYBSTUNEKV-GOSISDBHSA-N 384.480 1.841 0 50 GDAA COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 297878617 NGCQYWXCZQAQSG-UHFFFAOYSA-N 385.467 1.149 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4c(C)n[nH]c4C)c3CO2)cc1 263615751 FAWKCGSQERTQBI-KRWDZBQOSA-N 382.424 1.828 0 50 GDAA NC(=O)CN1CCC(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)CC1 952980316 WXLUJIDJVOLRHT-HXUWFJFHSA-N 387.524 1.416 0 50 GDAA COCCn1cnnc1CN(C)C(=O)c1ccc2sc3c(c2c1)CCNC3=O 952965446 RUVVJSDRPKKOIB-UHFFFAOYSA-N 399.476 1.697 0 50 GDAA O=C(NCC1CCN(Cc2nc3ncccn3n2)CC1)c1cc(C2CC2)no1 885939090 RHARIZZAYVAIAB-UHFFFAOYSA-N 381.440 1.632 0 50 GDAA CC(C)NC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 952873372 VQUBTXZFGWQLJT-UHFFFAOYSA-N 380.408 1.818 0 50 GDAA COc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(OC)c1 268913522 URUZKILLAUKKRO-MRXNPFEDSA-N 376.457 1.474 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)Cc1ccc(F)cc1 271141499 VLLMNTKWJPMSBA-GJZGRUSLSA-N 377.420 1.301 0 50 GDAA COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 274815275 UTZWQYJOSYMYRT-UHFFFAOYSA-N 393.241 1.426 0 50 GDAA CC(C)c1nnc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)o1 275277014 JYRKOARPAOELDE-ZDUSSCGKSA-N 393.425 1.125 0 50 GDAA O=C(NCc1ccc(C2CC2)cc1)C1CCN(c2ccc3nnnn3n2)CC1 191323769 IHOAFBAJRQQKPC-UHFFFAOYSA-N 377.452 1.930 0 50 GDAA Cn1c(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc(=O)n(C)c1=O 1506429500 SUBXBKJPZVYEOH-GSHUGGBRSA-N 397.475 1.377 0 50 GDAA CNc1nc(C(N)=O)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)s1 1506417567 AMQBRHNPFKBNLF-VIFPVBQESA-N 389.437 1.284 0 50 GDAA CO[C@@H]1C[C@H](C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[C@@H]1O 1704304942 PGZGCJNMANTSAF-OUAUKWLOSA-N 394.419 1.382 0 50 GDAA COc1cccc(N2C[C@@H](Nc3ccc(C(=O)N4CCOCC4)cn3)CC2=O)c1 1704299239 GLHHNXYTMJTYDT-INIZCTEOSA-N 396.447 1.780 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CN(C)C)C2)nn1C 1772809565 AGBUYSUCFQLMLO-HNAYVOBHSA-N 388.541 1.321 0 50 GDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@@H]2CNC[C@]2(CN(C)C)C1 1772703258 CXEOYZIKEMGDOB-LPHOPBHVSA-N 390.509 1.422 0 50 GDAA CC(C)NC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 11971633 WXDBOWWIXCMGNB-CQSZACIVSA-N 377.470 1.442 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(Cc2ccccc2)c1 12199200 JXEKXSDTUUHJGK-FQEVSTJZSA-N 397.523 1.784 0 50 GDAA O=C(c1cnc2cccnn12)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857697380 SJAVDZLKCYNFNJ-HXUWFJFHSA-N 377.404 1.619 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(CC(F)(F)F)CC3)CC2=O)s1 1857712088 KXQLNPYFOCKPEI-JTQLQIEISA-N 391.419 1.160 0 50 GDAA Cc1cnnc(N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)c1C 1857714182 MKXBCEAPMOXKCA-NRFANRHFSA-N 396.495 1.910 0 50 GDAA Cc1ncccc1C(=O)NC[C@H]1[C@H]2CN(C3CCN(C)CC3)C[C@]23CC[C@H]1O3 1857723432 FTNVQDUADDEGOW-GPQLQYNLSA-N 384.524 1.693 0 50 GDAA CCOc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)n1 1857724954 GSTUDSXHAQXMKC-QCBUCWTNSA-N 384.436 1.882 0 50 GDAA COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 225439798 JTNISJDFNVQCTL-JKSUJKDBSA-N 378.469 1.696 0 50 GDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 247979917 HABAJOVTJSFANC-CVEARBPZSA-N 378.494 1.492 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1ccc(Cl)cc1)C2 247967453 GVHYTELXLIKHAE-WBVHZDCISA-N 391.899 1.810 0 50 GDAA O=C(NCC(=O)N1CCCCc2ccccc21)c1sccc1-n1cnnn1 832793615 NIZQNYXFPJLNJS-UHFFFAOYSA-N 382.449 1.823 0 50 GDAA CCn1cc(S(=O)(=O)Nc2cn3cc(Br)ncc3n2)nc1C 952994834 TYJVHDXBFWUYGU-UHFFFAOYSA-N 385.247 1.817 0 50 GDAA O=C(N=c1cc2n([nH]1)CCC2)[C@@]1(O)CCc2cc(Br)ccc2C1 1875274536 HBXDSLIAOMKFSC-QGZVFWFLSA-N 376.254 1.872 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc(OC)cc3C)C2)n1 1875397430 ZYSLSHIBKCYVRP-MRXNPFEDSA-N 384.484 1.534 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1nccn1-c1ccccc1 1875397882 RLKRADSWWHYGMU-ZWKOTPCHSA-N 393.495 1.722 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCOCC3)C2)c1 1875371433 ATJMVENQTIBQFY-MRXNPFEDSA-N 392.477 1.667 0 50 GDAA COc1ccc(NC(=O)N2CC[C@@H]3C[C@H]3C2)cc1S(=O)(=O)N[C@H]1CCOC1 888101805 HRGHETGZARPXNH-IPYPFGDCSA-N 395.481 1.636 0 50 GDAA CC[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1060092 GCGXINJBJCZOND-JOZWUWCOSA-N 378.406 1.901 0 50 GDAA CC(C)(C)OC(=O)NC12CC(N=c3ccc4nnc(Br)n4[nH]3)(C1)C2 2325764751 UYFYUKVBRPPEDQ-UHFFFAOYSA-N 395.261 1.920 0 50 GDAA CCCSc1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 2325780315 XRTOZMPKFAIHMU-UHFFFAOYSA-N 385.511 1.279 0 50 GDAA CO[C@@H](C)CC(=O)N1CCOC2(CCS(=O)(=NC(=O)c3ccoc3)CC2)C1 2325784941 VODQESAGYJVXKU-KCHWRIIZSA-N 398.481 1.704 0 50 GDAA COC(=O)[C@H]1Cc2ccc(S(=O)(=O)NC(=O)Cc3ccc(C)cc3)cc2C1 2325787459 ACKVUVCXRXNVOV-KRWDZBQOSA-N 387.457 1.930 0 50 GDAA C[C@H](O)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cnn(Cc2ccc(Cl)cc2)c1 2325851856 LLWCKENZKSNRPH-HZMBPMFUSA-N 387.845 1.039 0 50 GDAA C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNC2)c1cn(-c2ccccc2)nn1 2325858809 BGECABMPXLJNPC-CYBMUJFWSA-N 376.420 1.686 0 50 GDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)cc1 11765081 NSNSUDVPBHCNDS-NRFANRHFSA-N 395.503 1.787 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccc(OC)c2OC)C1=O 2356149359 WOKLWSQEKIMFDY-FQEVSTJZSA-N 376.453 1.947 0 50 GDAA CN1C[C@]2(CCN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)C2)OC1=O 2356152189 SJMCPGRKBDIWBW-IBGZPJMESA-N 380.408 1.402 0 50 GDAA O=C(CCCn1nnc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 20426273 LCXIDWINZHVGTB-UHFFFAOYSA-N 391.475 1.916 0 50 GDAA O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCC[C@@H](c2ccn[nH]2)C1 67820153 DDXGHPWCUSNZKI-OAHLLOKOSA-N 388.493 1.664 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 65364615 WTHNJRXMRIIWNM-UHFFFAOYSA-N 395.525 1.770 0 50 GDAA CN1CCN([C@@H]2CCc3c(c(C(=O)NCCc4ccccc4)nn3C)C2)CC1 23339593 GTGYKOCDUNVSIA-GOSISDBHSA-N 381.524 1.497 0 50 GDAA CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2Cn2cccn2)NC(=O)N1 65372911 ZNZSCHMPMNXSBS-SFHVURJKSA-N 381.436 1.418 0 50 GDAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(CCC(N)=O)CC1)c1ccccc1 67774962 PKGTZDRIKSMJPQ-LJQANCHMSA-N 385.468 1.722 0 50 GDAA COc1cccc([C@H]2C[C@H](C(=O)N3CCC(C)CC3)N(C)S(=O)(=O)N2)c1 67640723 RITGTMFHIHERFI-IAGOWNOFSA-N 381.498 1.533 0 50 GDAA COc1cc(OC)nc(N2CC[C@]3(CCCN(Cc4cccnc4)C3=O)C2)n1 72419478 QNKZBKLHDTWUAA-HXUWFJFHSA-N 383.452 1.908 0 50 GDAA O=C([C@H]1Cc2ccccc2S(=O)(=O)N1)N1CC(Oc2ccccc2F)C1 215524507 UGGNTEMLHHCAFP-OAHLLOKOSA-N 376.409 1.319 0 50 GDAA CCn1ccnc1CN1CCN(Cc2ccc(C)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 72433285 HAVGLZDLHCQWSV-SJORKVTESA-N 378.498 1.288 0 50 GDAA CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 72120900 KRKGUQLHOOGLAT-IBGZPJMESA-N 396.509 1.868 0 50 GDAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)N1CCC(n2cnnc2)CC1 426684495 NIZHZJQVLKPLHO-GOSISDBHSA-N 385.472 1.093 0 50 GDAA Cc1nn(CCO)cc1CN1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91444664 ARDHIPNNQCPGTQ-FQEVSTJZSA-N 376.501 1.177 0 50 GDAA Cc1nc([C@@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)cc(=O)[nH]1 91690099 MADLYAOJLQVUFN-OAHLLOKOSA-N 379.420 1.194 0 50 GDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)C2(C)CCNCC2)C1 91390969 XXCPHIILQYCZLX-MRXNPFEDSA-N 387.528 1.833 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccc3nonc23)C1 91987922 GJCQOUUKWWEUKL-OAHLLOKOSA-N 378.440 1.976 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)c1cccc(C)c1)CCN2C 95392281 YFZISRSFPRXYJF-IBGZPJMESA-N 379.526 1.702 0 50 GDAA Cc1c(NC(=O)CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cnn1C 244741955 NZOUYBUGPXGEMC-INIZCTEOSA-N 376.482 1.356 0 50 GDAA COc1ccccc1CN1C(=O)[C@@H](CCC(=O)NCc2cccn2C)N=C1O 252537579 LQHRDHYXJDJSAK-MRXNPFEDSA-N 384.436 1.755 0 50 GDAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H](CO)c1ccccc1 252536158 HRSWFXKHHNYKQS-RTBURBONSA-N 395.459 1.984 0 50 GDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 584903821 NWJLDNBRXBIVHJ-HNNXBMFYSA-N 394.439 1.732 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 952967282 HFOXFVMUVKLUFR-IBGZPJMESA-N 394.435 1.683 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@](O)(c4nc(C5CC5)no4)C3)ccc2O1 275228331 CVGCMAMRHDYAFQ-ZMZPIMSZSA-N 391.449 1.553 0 50 GDAA COC(=O)c1scc(C)c1S(=O)(=O)NCCCOC[C@H]1CCCO1 170604002 HVNCLOBWNGZSTB-GFCCVEGCSA-N 377.484 1.707 0 50 GDAA Cc1n[nH]nc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 193699745 HELMCUJNVVCGFA-UHFFFAOYSA-N 387.824 1.052 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccc(-c3cccnc3)cc2)C[C@@H]1O 1615735405 MGDCEZBXBBMBHX-MOPGFXCFSA-N 375.494 1.433 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)C1 1506404478 ICTQOYJOJAWIER-AWEZNQCLSA-N 380.470 1.772 0 50 GDAA COCc1nnc(NC(=O)CN2CCC[C@H](OCc3ccccn3)C2)s1 1529125105 JUESESCMZXFLKE-AWEZNQCLSA-N 377.470 1.699 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCn2nccc2C)cc1OC 1529095261 QTUSADFJSMJBJF-UYAOXDASSA-N 389.452 1.560 0 50 GDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(N)n4)C[C@]34CC[C@H]2O4)c(C)o1 1704358242 HNGWLVWCBIDCNU-QCBUCWTNSA-N 383.452 1.682 0 50 GDAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1775981086 NZYYMQYBWWVBTR-GFCCVEGCSA-N 387.509 1.613 0 50 GDAA N[C@@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 5273812 MAQKGNBGUVFWNR-VQTJNVASSA-N 393.443 1.531 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 12752697 XYEYQZRAOUKJPO-MRXNPFEDSA-N 387.488 1.428 0 50 GDAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@H](C)CO)CC3)cc1 14535369 PWWSTISXUDKYTA-OAHLLOKOSA-N 375.469 1.347 0 50 GDAA CCOCCCNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 14978736 ZUXKQQNFUWWHLG-UHFFFAOYSA-N 378.469 1.859 0 50 GDAA COCCN1C[C@H](C(=O)NCC2CCN(Cc3ccccc3)CC2)CCC1=O 15068512 PAJYJKOIMOZBEN-HXUWFJFHSA-N 387.524 1.900 0 50 GDAA COC(=O)CCC(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 19112847 APXNLCQZTDXSHL-UHFFFAOYSA-N 383.452 1.373 0 50 GDAA Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(NC[C@H]3CCCO3)c12 19219875 NWFPRGYGZPXQSX-CYBMUJFWSA-N 375.498 1.978 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N[C@H]3C[C@H](Cn4ccnc4)C[C@@H]3O)ccc21 1857532851 URRQCNMSBWLCDG-OWQGQXMQSA-N 383.452 1.231 0 50 GDAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 1857675669 GPOKAUOZYZMXOQ-LUQKVYGDSA-N 389.463 1.631 0 50 GDAA Cc1noc(CN2CCOC3(CCN(Cc4cnsc4)CC3)CC2=O)n1 1857685427 IXHKILZGTVYAET-UHFFFAOYSA-N 377.470 1.618 0 50 GDAA O=C(NCc1nnc2ccccn12)[C@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857699238 IYPOETXPBWFSFP-LAUBAEHRSA-N 398.511 1.111 0 50 GDAA CC[C@H]1C[C@@H](O)CC2(CCN(c3cc(C(=O)N4CCOCC4)ccn3)CC2)O1 1857706236 LPVVKNHMMIJDRO-MSOLQXFVSA-N 389.496 1.843 0 50 GDAA Cn1cc(C(=O)N2CCc3ncc(CNS(C)(=O)=O)cc3C2)c2ccccc21 1875249427 RWEDYYNXGBNRCN-UHFFFAOYSA-N 398.488 1.821 0 50 GDAA CC(C)(C(=O)N1CC[C@@H](N)C1)S(=O)(=O)c1ccc(Br)cc1 132629484 YZIKKLUHQCCUPJ-LLVKDONJSA-N 375.288 1.561 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1=O 161477750 LLKRUHGUNCMBIF-KRWDZBQOSA-N 392.931 1.394 0 50 GDAA C[C@H](NC(=O)NCc1cccc(OCC(N)=O)c1)c1ccc2c(c1)CCC(=O)N2 266691670 UELLUIIXZYANHK-ZDUSSCGKSA-N 396.447 1.996 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC[C@H](O)[C@@H](C(=O)O)C3)c2)o1 1704300366 UHOJUCTZCCETHD-KBPBESRZSA-N 380.422 1.415 0 50 GDAA C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCC(C2CCNCC2)CC1 1875286209 OHVPGMXHJGXQKG-MRXNPFEDSA-N 378.561 1.413 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCCOc1c[nH]nc1C(F)(F)F 1875314700 MYPMXOHIWYMGII-BDAKNGLRSA-N 387.362 1.993 0 50 GDAA COC(C)(C)CC(=O)N1CC2(CN(C)C[C@H]2c2ccnc(N3CCCC3)n2)C1 1875395868 ODFCIUYYWUSIEK-INIZCTEOSA-N 387.528 1.750 0 50 GDAA O=C(NC1CC1)[C@@H](O)C1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 888101304 HUOSKCOYXFZZKH-KRWDZBQOSA-N 382.407 1.902 0 50 GDAA Cc1nccn1-c1cccc(=N[C@@H]2C[C@H](Cn3cc(C(=O)O)cn3)C[C@H]2O)[nH]1 2325786184 NHAZDDHVYUDQOK-NUEKZKHPSA-N 382.424 1.144 0 50 GDAA CC(C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(CNC(=O)c3ccsc3)C2)C1 2332238094 YTEXOIJBSWMCNE-DBQDNQAGSA-N 398.550 1.976 0 50 GDAA O=C(CCn1cnnc1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356147099 HSERVWSJZJNYBR-OAQYLSRUSA-N 381.480 1.895 0 50 GDAA CN(CC(=O)N1CCc2nc(C3CCOCC3)nn2CC1)Cc1ccncc1 2356148357 SEHIRHZCFDGZHY-UHFFFAOYSA-N 384.484 1.084 0 50 GDAA O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2ccccn2)CC1 2686789 BKFQFMXWDFWBCA-ZWKOTPCHSA-N 385.464 1.421 0 50 GDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 4113608 KJGGTKNIHWKKEH-HNNXBMFYSA-N 380.397 1.530 0 50 GDAA O=C(Cc1ccsc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 112502104 CBIXBBIFXDDRON-MRXNPFEDSA-N 387.509 1.702 0 50 GDAA CCOCCn1c(=O)n(Cc2noc(C(C)(C)C)n2)c2cc(C(=O)O)cnc21 55052902 IXXGIXHCOHONLP-UHFFFAOYSA-N 389.412 1.662 0 50 GDAA C[C@@H](C(=O)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1 23129401 SWFFTPOWRPFQCI-SUMWQHHRSA-N 386.427 1.423 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65406591 OEHZWSBMPHLBCV-UONOGXRCSA-N 380.422 1.559 0 50 GDAA CS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 65364740 DJCXVQCAUYBYNQ-UHFFFAOYSA-N 393.509 1.097 0 50 GDAA CC(C)c1nc(CCN(C)S(C)(=O)=O)n(-c2ccc3c(c2)OCCO3)n1 65370866 HWRQAMAPFUVUGV-UHFFFAOYSA-N 380.470 1.596 0 50 GDAA Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(C(=O)NCCF)c1)C1CC1 215372093 RJTGJUQRDLHEDR-OAHLLOKOSA-N 380.445 1.549 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 65362650 DUTOOINTBDQFMA-QGZVFWFLSA-N 393.509 1.097 0 50 GDAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1cnn2cccnc12 67934352 AJAJJBWDXGXEFG-HXUWFJFHSA-N 383.427 1.512 0 50 GDAA O=C(Cc1cccnc1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 65409848 GXWXPGAZYWLXLF-UHFFFAOYSA-N 377.448 1.979 0 50 GDAA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc(C(N)=O)c1C 2742375 YDGMDIBBMZLSRL-UWVGGRQHSA-N 380.422 1.938 0 50 GDAA COc1cc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1C 77535201 OTXFRDLMYICKGO-SJORKVTESA-N 380.510 1.583 0 50 GDAA COc1ccc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 72426016 FGFYJOHTNLALMJ-MOPGFXCFSA-N 392.521 1.893 0 50 GDAA CC[C@@H](O)C(=O)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71775675 FQBKUWXTZFEWOM-QGZVFWFLSA-N 384.436 1.071 0 50 GDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 241383573 MWHABCIHMLUTPT-MGPQQGTHSA-N 389.543 1.550 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNc3ncnc4sccc34)cc2C1 82161281 DMPUAUXPFJZMEG-UHFFFAOYSA-N 378.483 1.665 0 50 GDAA CN(C)c1nc(-c2cccc(C(=O)NC[C@H](O)CO)c2)cc(C(F)(F)F)n1 426527963 PHPFTTJBRFXNES-LBPRGKRZSA-N 384.358 1.311 0 50 GDAA CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCCN2CC=C(C)C)CCCCC1 19146529 VEWXNOQEHSEDOG-KRWDZBQOSA-N 393.528 1.915 0 50 GDAA CCc1cc(N2CCC(NC(=O)CNC(=O)c3ccc(F)cc3)CC2)ncn1 177160661 NNDWBMMFJZEFJP-UHFFFAOYSA-N 385.443 1.693 0 50 GDAA Cc1ccccc1N1CCCN(C(=O)NCCSc2nnnn2C)CC1 426521473 QKKMEUNRKDRCKQ-UHFFFAOYSA-N 375.502 1.533 0 50 GDAA Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 20608421 MHRUEJPZSHMWES-SFHVURJKSA-N 379.526 1.311 0 50 GDAA NC(=O)[C@]1(O)CCCN(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)C1 291039715 UPVFPGBQRAMJCD-NQIIRXRSSA-N 388.512 1.311 0 50 GDAA O=C(CN1CCOC1=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91657300 KVFGMPXEDUFBGQ-UHFFFAOYSA-N 386.452 1.265 0 50 GDAA CCc1nccn1CC(=O)N1CCC(c2nnc(Cn3cccn3)n2CC)CC1 96141940 IPCXRXOQCVFLQI-UHFFFAOYSA-N 396.499 1.708 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 95361854 SFVOJKLFLQALMU-QGZVFWFLSA-N 386.427 1.909 0 50 GDAA CN(C)CCOc1cccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c1 95363157 GTBPBHSOKXLXJP-GOSISDBHSA-N 389.496 1.525 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 91416985 BGMMZSMSJGJMBM-QZTJIDSGSA-N 379.932 1.587 0 50 GDAA Nc1nnc(SCC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 91585845 KUEPIOIWIHNRJN-INIZCTEOSA-N 381.527 1.464 0 50 GDAA CN1CCN([C@H]2CCN(c3nc4ccccc4cc3CO)C[C@H]2CCCO)CC1 91817939 NUHTYZQFTLBXCR-KNQAVFIVSA-N 398.551 1.942 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1C(F)(F)F 295634031 CXCAKETXDRGMLI-GHMZBOCLSA-N 385.795 1.629 0 50 GDAA COc1ccccc1-c1cc(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(N)n3)C2)[nH]n1 253535875 VGGKXIUMJMAQMT-PHIMTYICSA-N 380.408 1.839 0 50 GDAA CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@H]1CCS(=O)(=O)C1 298338792 ZMWXMFMXJLGZNN-ROUUACIJSA-N 392.521 1.883 0 50 GDAA CC(=O)N[C@H](C(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 257357410 NVEUJCXXXBMFGU-RCBQFDQVSA-N 392.477 1.835 0 50 GDAA NC(=O)c1ccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)cc1 253535642 AMOKLRAMAZIKAM-MRXNPFEDSA-N 380.404 1.829 0 50 GDAA CN(C)C(=O)CCc1ccccc1NC(=O)NCCN1CCCC[C@@H]1CO 299779927 JAZAMXLNBVXKNE-QGZVFWFLSA-N 376.501 1.676 0 50 GDAA COc1cccc(OC[C@@H](O)CNC(=O)c2ccccc2N2CCOCC2)c1 824785234 IPSPWZJDVYTLOC-INIZCTEOSA-N 386.448 1.702 0 50 GDAA O=C1C[C@@H](NC(=O)N2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 584893084 KBRNBSYUNFSRDE-GOSISDBHSA-N 379.464 1.714 0 50 GDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)o1 584893130 RIIRXRHDWYSSRW-SFHVURJKSA-N 378.429 1.498 0 50 GDAA Cc1ccc2c(c1)c(=O)c(C(=O)N[C@@H]1[C@@H]3CCO[C@@H]3[C@H]1N1CCCC1)cn2C 1565507150 GZNZXFVBDROGJL-UEXHFKJGSA-N 381.476 1.828 0 50 GDAA O=C1CCC(CCC(=O)N2CCC[C@@H](CNC(=O)c3ccsc3)C2)=NN1 952985322 UYIPJZDYADNYOY-ZDUSSCGKSA-N 376.482 1.763 0 50 GDAA CCC[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@@H]1NS(C)(=O)=O 1565506472 UYDGUZBWBIUUKZ-ZFWWWQNUSA-N 380.470 1.314 0 50 GDAA CN1CCN(C(=O)C2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 271374665 JXHRCSJZANMFSZ-GOSISDBHSA-N 393.915 1.776 0 50 GDAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 170616459 QMZSACCPDYKBFG-LLVKDONJSA-N 396.362 1.255 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCc2cnn(-c3ccccc3C)c2)C1 1506420912 DOEVMSRJBYHEIW-INIZCTEOSA-N 378.498 1.874 0 50 GDAA O=C(NCCCOC1CCCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529189091 GATJSIFDRJYICK-UXHICEINSA-N 387.480 1.978 0 50 GDAA O=C(CCCn1cncn1)N1CCCN(C(=O)c2cccc3cc[nH]c23)CC1 1772701267 MVYNWEUFBSDXJL-UHFFFAOYSA-N 380.452 1.914 0 50 GDAA O=C(CN1CCCN(C(=O)[C@H]2CCOC2)CC1)NCCc1ccc(F)cc1 1772705349 MOZJELIFOKUBQK-KRWDZBQOSA-N 377.460 1.055 0 50 GDAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)c1cnsn1)CC2 14742051 CXDINCPCFFZWIX-UHFFFAOYSA-N 398.448 1.553 0 50 GDAA CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)c1 18190019 XZGVLGOPGFBBGC-GOSISDBHSA-N 380.448 1.934 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857666596 GUTVGWSJFFOKLW-GOSISDBHSA-N 390.465 1.167 0 50 GDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)C[C@]23CC[C@H]1O3 1857731778 ORYHRHNXWREWCD-RWYOIZDWSA-N 390.427 1.834 0 50 GDAA CCC(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3nc4ccccc4o3)C[C@]23CC[C@H]1O3 1857717687 SYWCPFKFXGEDFD-RWYMCCIASA-N 383.448 1.903 0 50 GDAA CCc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)COC)C[C@]34CC[C@H]2O4)s1 1857726619 ZYRAWQMXSNIFLT-NRTGNBEESA-N 378.494 1.693 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(S(C)(=O)=O)C[C@]34CC[C@H]2O4)cc1C 1857735689 GTSIYEWBYYXNBW-DODZYUBVSA-N 378.494 1.472 0 50 GDAA O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857738638 QVJSAWJPGGVAFB-IXDOHACOSA-N 377.872 1.593 0 50 GDAA COc1ccc(F)c2[nH]c(C(=O)NCC3CCN(S(C)(=O)=O)CC3)cc12 225418527 QJVNQQYWJAQGPK-UHFFFAOYSA-N 383.445 1.717 0 50 GDAA C[C@@H](CC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)NC(=O)C1CCCC1 225742241 OLVWAJOORZPLDG-HNNXBMFYSA-N 399.557 1.488 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)C)n[nH]3)CC2)cc1 328596452 QRCPDRKVIVXYGT-UHFFFAOYSA-N 379.486 1.443 0 50 GDAA COCCN1C(=O)C[C@@H](CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H]1c1cnn(C)c1 328634246 TWKHGAPNPWKDPD-UDWWXSAWSA-N 376.501 1.359 0 50 GDAA CS(=O)(=O)N1CC[C@@]2(O)CCN(CCCC(=O)c3ccccc3)C[C@H]2C1 247523510 MDUNNZRSLUZJFZ-HKUYNNGSSA-N 380.510 1.368 0 50 GDAA O=S1(=O)CCNC[C@@H]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 905690265 WRCWOARNHBEZEN-LBPRGKRZSA-N 386.417 1.169 0 50 GDAA O=S(=O)(Cc1ccccc1CN1CC[C@H](O)[C@H](CO)C1)c1ccccc1 1237231847 KMTLFNUZIFFWIK-ICSRJNTNSA-N 375.490 1.836 0 50 GDAA COc1ccc([C@H](O)CN(CCS(N)(=O)=O)[C@H](C)Cc2ccccc2)cc1 839645924 FYUOKDMLBYVPHB-OXQOHEQNSA-N 392.521 1.950 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)CCc4ccc(=N)[nH]c4)C[C@H]32)o1 1875340421 AMRWZSRJOVOYQU-GVDBMIGSSA-N 382.464 1.995 0 50 GDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccccc2S(=O)(=O)C(F)(F)F)cn1 1875381542 YEVPARLLHPIVOB-GTJPDFRWSA-N 375.372 1.977 0 50 GDAA Cc1cccc([C@H](CN2CCC(=O)N[C@@H](CC(F)F)C2=O)N2CCOCC2)c1 1875310539 TWQLJAAJXPMWPN-IRXDYDNUSA-N 395.450 1.741 0 50 GDAA Cc1ccsc1C(=O)NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2 1875313138 XMAUTTDCCUYOKD-UGSOOPFHSA-N 383.481 1.926 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)CC)c1 1875313850 YVVKXRIWEFGZJI-UHFFFAOYSA-N 377.422 1.948 0 50 GDAA Cc1ccnc(N2CCC(N3C(=O)N[C@H]4CN(C(=O)C5CC5)CC[C@@H]43)CC2)n1 888103649 RFDUAOMECQQUDN-IRXDYDNUSA-N 384.484 1.159 0 50 GDAA Cn1ncc2ncc(C(=O)N3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)cc21 2100483305 KQJABJLUYYSHFS-OAQYLSRUSA-N 391.431 1.858 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3noc(C)n3)OCC(=O)N2C2CC2)cc1 2100556655 OCQPPXCQYJRVAW-MSOLQXFVSA-N 386.408 1.134 0 50 GDAA Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)o2)n1 1857799824 FWKUIRJRGVLHFY-GFCCVEGCSA-N 380.426 1.396 0 50 GDAA CO[C@H](C(=O)NCC(C)(C)NC(=O)c1ccc2ccncc2n1)[C@H]1CCOC1 2325830074 ZSLJUQKSVAQJAW-YOEHRIQHSA-N 386.452 1.306 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1 2325888364 MQQIOKDUCXRGHY-CYBMUJFWSA-N 384.436 1.885 0 50 GDAA COc1ccc(C(=O)N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)c(OCCN)c1 2356151534 MPADNJHCESSTBX-ZNMIVQPWSA-N 375.469 1.362 0 50 GDAA CN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)cc2)nc(N(C)C)n1 2887208 LSELVNBHSRRGND-UHFFFAOYSA-N 379.852 1.858 0 50 GDAA O=C(NCc1ccc(Cl)s1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20541679 YYTQMOZXIXCJGX-CYBMUJFWSA-N 385.917 1.589 0 50 GDAA NCC1CCN(c2cnn(CC(=O)N3CCc4sccc4C3)c(=O)c2)CC1 20598810 IGHNJGDIZCEVLW-UHFFFAOYSA-N 387.509 1.065 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2F)cc(N2CCCC2)n1 65362733 JFZYVXWITRVFJU-UHFFFAOYSA-N 379.461 1.915 0 50 GDAA COc1cccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)c1 23359546 MEQSCBWLMRAISM-FQEVSTJZSA-N 375.513 1.575 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC(O)CC3)[C@H]4C2=O)cc1C 77521328 MOZDGHIBDADODF-SRYPRDQNSA-N 396.487 1.569 0 50 GDAA CC(C)N1CCC(N2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2CCO)CC1 72408773 AROFUNHIEQUBTF-KRWDZBQOSA-N 389.544 1.280 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@]2(CCCOC2)O1 330081834 PVOADEUZALNQAN-YJBOKZPZSA-N 392.481 1.285 0 50 GDAA O=C(NCCN1C(=O)CCC1=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 363347540 JARKCPXGXOMKIT-UHFFFAOYSA-N 397.435 1.775 0 50 GDAA CC(C)CN(C(=O)Cn1ccc(=O)c2sccc21)[C@H]1CCS(=O)(=O)C1 331418822 ALBWEISJCNLYBQ-ZDUSSCGKSA-N 382.507 1.735 0 50 GDAA COC[C@H](C)n1c(CCCC(=O)N2CCN(C(C)=O)CC2)nc2cccnc21 77343783 FFPMAEYDAJZXBI-HNNXBMFYSA-N 387.484 1.652 0 50 GDAA O=C(NS(=O)(=O)C[C@@H]1CCOC1)c1cnc(Cc2ccc(F)cc2)s1 157893895 TYKSXKFOKGQUAA-GFCCVEGCSA-N 384.454 1.969 0 50 GDAA Cc1c(C(=O)N2CCOC[C@](O)(CN3CCCC3)C2)[nH]c2ccc(F)cc12 77421313 SWTHQBCFMLOCOY-FQEVSTJZSA-N 375.444 1.915 0 50 GDAA COc1ccc(C(=O)NCC(=O)Nc2ccn(-c3ncccc3F)n2)cc1OC 378310653 HIAJGLYMFWHODW-UHFFFAOYSA-N 399.382 1.792 0 50 GDAA Cc1ccnc(NC(=O)C2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)c1 241588331 PCAKYIVIPNMAGO-UHFFFAOYSA-N 394.435 1.077 0 50 GDAA Cc1nc(NC(=O)[C@H](C)CS(C)(=O)=O)ccc1I 176105174 ZGGCNTDDLLCTBO-SSDOTTSWSA-N 382.223 1.614 0 50 GDAA CCCCN1CCOC[C@H]1C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 287457637 VOMGXSMCFMOSBP-SFHVURJKSA-N 395.525 1.444 0 50 GDAA O=C(COC[C@H]1CCCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 82097749 DENBYBUSQNDUEX-MRXNPFEDSA-N 382.482 1.105 0 50 GDAA Cc1nc(CCNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)nc2c1CCCC2 426545191 UAMLQJIZHYJJJJ-MRXNPFEDSA-N 382.512 1.686 0 50 GDAA CCNc1ncc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)O)C2)cn1 95387236 VWEMAIIDTWMXQW-OXQOHEQNSA-N 384.436 1.980 0 50 GDAA C[C@H]1CN(C[C@@H]2CN(C(=O)CSc3ccccc3)C[C@@H]2CO)C[C@@H](C)O1 91846642 VJJUGYYGXMWHRU-XMTFNYHQSA-N 378.538 1.955 0 50 GDAA CCN(C)C[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1CO 92076866 SQGDKTOIYGRYMT-HUUCEWRRSA-N 382.888 1.672 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C)nc2[nH]nc(O)c12 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CCn1ncc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c1C 1565510664 VJMGPOFGVWKUAQ-CABCVRRESA-N 393.465 1.479 0 50 GDAA Cc1nc(O)nc(O)c1CC(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1 1506428567 XSGQUDPUUSUGFQ-NSHDSACASA-N 376.438 1.221 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3CCC[C@@](CO)(CN(C)C)C3)n2)c1 1506397968 YPXNLXQUMFQSDF-HXUWFJFHSA-N 385.516 1.642 0 50 GDAA CC(C)c1ccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)c(O)n1 1506402582 OMVOWPXTFKMLAW-UHFFFAOYSA-N 376.501 1.125 0 50 GDAA CCCCn1nc(C)cc1NC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1529141990 VVSNJXFPDJXWQB-MRXNPFEDSA-N 382.530 1.829 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2nc(C)c(C)n2C)cc1OC 1529190691 MGHCLPSJCHCQQR-UYAOXDASSA-N 375.469 1.989 0 50 GDAA COc1cccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 1529093972 CZEXMKYJIBGGAD-KRWDZBQOSA-N 397.497 1.169 0 50 GDAA CN(C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1)[C@@H]1CCOC1 11814591 CHJHRKXWMYHOTH-NWDGAFQWSA-N 377.466 1.874 0 50 GDAA Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14537961 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GDAA Nc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3Cc2ccc3c(c2)CCO3)cn1 1704327813 GYTCULFRWXSQQJ-APWZRJJASA-N 394.475 1.572 0 50 GDAA Cn1ncc2cnn(C[C@](C)(O)c3ccc(Br)cc3F)c2c1=O 834369647 XJFJEQXGMHVOOX-HNNXBMFYSA-N 381.205 1.939 0 50 GDAA Cn1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2c(c1=O)CCCC2 1875263076 HVMQNANNGRDDOA-UHFFFAOYSA-N 375.450 1.888 0 50 GDAA C=CC(=O)N(C)CC(=O)Nc1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2 1875369918 PYKCXHNTMUXHNJ-UHFFFAOYSA-N 377.445 1.296 0 50 GDAA CNc1cnc(C(=O)NCC2(CCNC(=O)[C@H]3CCCn4nccc43)CC2)cn1 1875353575 YMQBBZDBWFHAGL-AWEZNQCLSA-N 397.483 1.309 0 50 GDAA O=C1CC[C@@](CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)(C(F)(F)F)CN1 1875310674 YCVNKNZDJVDRFA-KRWDZBQOSA-N 399.417 1.785 0 50 GDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NCc1cccc(-c2ccccn2)c1 1875397719 LIOLAGSGDVNOGE-RBUKOAKNSA-N 376.464 1.945 0 50 GDAA C=CC(=O)N[C@@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1 1875388173 PHDXERNOSKYCDQ-HOCLYGCPSA-N 381.498 1.110 0 50 GDAA CN1CCN(C(=O)c2cncc(N3CC4(COc5ccccc5C4)C3)n2)CC1 2100557293 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CC[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C[C@]2(CCOC2)O1 225441052 SQAPBILJNRBCLH-UZLBHIALSA-N 387.411 1.782 0 50 GDAA O=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1 9576749 NIHXAYDSQUXJQW-UHFFFAOYSA-N 375.270 1.237 0 50 GDAA CCc1noc(CN(CC)C(=O)CSc2nc3nc(C)cc(O)n3n2)n1 55211708 YYWZXFUEQXUIFL-UHFFFAOYSA-N 377.430 1.225 0 50 GDAA CN1CCCn2nc(C(=O)NC3CCN(Cc4cccc(O)c4)CC3)cc2C1 65428468 AVESPGXDZGOTEW-UHFFFAOYSA-N 383.496 1.819 0 50 GDAA O=C(NCCc1ccccc1)c1coc(CN2CCN(c3ncccn3)CC2)n1 55119393 KLYJPLBLSSRUGT-UHFFFAOYSA-N 392.463 1.759 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)c2cnc(-c3ccccn3)nc2)CC1 67982456 HTNOSINUXJGGOR-UHFFFAOYSA-N 389.463 1.615 0 50 GDAA CCN(CC)C1=NC(=O)C2(CCN([C@@H]3CCC(=O)N(CC4CC4)CC3)CC2)N1 63868766 GCABWYMCTFUWRY-QGZVFWFLSA-N 389.544 1.440 0 50 GDAA COc1ccc(C(=O)N2CCN(C[C@@H](O)CC(F)(F)F)CC2)c(OC)c1 252535864 HBBHTDBPHPRBCV-LBPRGKRZSA-N 376.375 1.775 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccccc1)C2 219187554 BJTSDINZEPKQAR-FQEVSTJZSA-N 381.436 1.510 0 50 GDAA 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1.638 0 50 GDAA COc1cc(CN2CCC(F)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 95506966 XUAWZUIOXICIAL-IBGZPJMESA-N 396.503 1.826 0 50 GDAA Cc1ccc2c(C)c(C(=O)N3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)oc2c1 95386562 NDTJGOZQLRYMMS-QZTJIDSGSA-N 385.508 1.978 0 50 GDAA CN(C)C(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc4ncccc4c3)C[C@@H]2C1 92078144 CJRUGHNLYQIPDM-DYESRHJHSA-N 382.464 1.815 0 50 GDAA COc1cc(NC(=O)N2CCC(c3ccncn3)CC2)cc(-n2cnnn2)c1 96137117 SASULSQWHBBIRA-UHFFFAOYSA-N 380.412 1.872 0 50 GDAA COCCN1C[C@@H](CNC(=O)Nc2cc(-n3cnnc3)ccc2F)CC1=O 96139029 SDOJNSVKUYMEBC-GFCCVEGCSA-N 376.392 1.023 0 50 GDAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)N2CCOCC2)C1 95509102 SXXKIAPEVHXRGN-INIZCTEOSA-N 391.468 1.354 0 50 GDAA COc1ccc(Cn2nccc2NC(=O)N[C@@H]2CCNC2)c(OC)c1OC 97156054 GSYVWQGRKIOBJK-CYBMUJFWSA-N 375.429 1.441 0 50 GDAA N[C@H]1C[C@@H](c2cc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncn2)C1 244794699 QRXCLLIERLYOCJ-AOOOYVTPSA-N 385.419 1.878 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 184050225 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O=C(CCCn1cnc2ccccc2c1=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704356402 XBFLCNUYBOENBZ-XLIONFOSSA-N 392.459 1.946 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCC([C@H](O)CO)CC2)n1 1772700858 GIIUKDSESSSEJQ-OAHLLOKOSA-N 375.425 1.270 0 50 GDAA Cn1nnnc1SCCNC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12313919 FWZGYRPHABIQDB-UHFFFAOYSA-N 396.839 1.165 0 50 GDAA O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CCOCC1 16649166 NVDAVBTZQDQUKX-UHFFFAOYSA-N 380.510 1.520 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 16733222 ZVOLDFMQDBLBBO-UHFFFAOYSA-N 387.461 1.652 0 50 GDAA COc1ccccc1CCN1C(=O)N[C@H](CC(=O)NCc2cccn2C)C1=O 206234522 RRDJNELQZXBNIH-MRXNPFEDSA-N 384.436 1.203 0 50 GDAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1 2665584 OQXUFLRGNKQDQS-XVNBXDOJSA-N 393.373 1.998 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857686556 BQHVPAJOAQEPID-HXUWFJFHSA-N 377.404 1.619 0 50 GDAA CC(C)c1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cncc(=O)[nH]2)cs1 1857691841 YUHISVMEZJZVHA-KBPBESRZSA-N 387.465 1.365 0 50 GDAA 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COC(=O)[C@@]12C[C@@]3(C(=O)OC)[C@@H]4C[C@]5(CCC5=O)[C@H]1[C@H]4[C@H]1[C@@H]2C[C@]2(CCC2=O)[C@@H]13 257357962 QZNJWIXIRVWASA-YKRYSXKFSA-N 398.455 1.939 0 50 GDAA CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H]1C[C@@H]1C(=O)O 299748159 GGYUMQSDMFGZST-UWVGGRQHSA-N 375.381 1.422 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 266388690 VLZALWGVYLWTDN-OAHLLOKOSA-N 393.513 1.781 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCOc1cccnc1 55060474 YFUMDEVSCBJLGH-MUPIXQSSSA-N 394.475 1.481 0 50 GDAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299796971 PHIGUPPNYOLJQT-DTWKUNHWSA-N 390.753 1.670 0 50 GDAA CCc1nnc(-c2cccc(NC(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2)[nH]1 299758810 MBRRYSKFWPBJTH-UHFFFAOYSA-N 379.424 1.984 0 50 GDAA O=C(O)c1cc(S(=O)(=O)NCC2CCN(C(=O)C3CC3)CC2)ccc1O 827910779 YPOFBMOICOXFJC-UHFFFAOYSA-N 382.438 1.017 0 50 GDAA COc1ccccc1OC1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)O)N(C)C2)CC1 670468117 PCOYXKVGQMJWTP-HIFRSBDPSA-N 377.441 1.405 0 50 GDAA Cc1oc(CN(C)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1C(=O)O 268924871 DWBUIKMWGDDMAW-YOEHRIQHSA-N 388.424 1.588 0 50 GDAA C[C@H]1CNCCN1S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 193357748 GNXIIHQPVKITCE-VIFPVBQESA-N 388.287 1.316 0 50 GDAA COc1cc(CC(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc(OC)c1OC 1615736660 NFSVJYOISRDDTL-HOCLYGCPSA-N 387.436 1.107 0 50 GDAA O=C(COc1cccc(F)c1)N1CCCN(Cc2cc(O)nc(O)n2)CC1 1772707591 VJWHKBRDYKTHFY-UHFFFAOYSA-N 376.388 1.140 0 50 GDAA COc1nc2c(cc1C(=O)N1CCCN(C(=O)c3cc(C)on3)CC1)CCC2 1772701883 ICRZUGKOWMIDAZ-UHFFFAOYSA-N 384.436 1.864 0 50 GDAA CN(Cc1ccon1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 12302619 QYZVWEXXZNOFCD-QGZVFWFLSA-N 394.497 1.866 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1 12384296 NXIUIOFJKMTCKN-NNFUDEMPSA-N 380.393 1.090 0 50 GDAA biogenic COCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12647437 IRVWGLLELOCADL-UHFFFAOYSA-N 388.493 1.805 0 50 GDAA CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 12836688 ZHSXUFMCBZQAAN-OAHLLOKOSA-N 395.504 1.619 0 50 GDAA COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 15010547 NFXRDCGEENMPRU-UVTDQMKNSA-N 390.417 1.368 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 19635647 FULSSJSGRXQCCG-QGZVFWFLSA-N 391.422 1.080 0 50 GDAA CN(C)S(=O)(=O)CCCN1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857675873 KRRARINHHZUFQC-SFHVURJKSA-N 381.498 1.017 0 50 GDAA COCCn1nnc([C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)n1 1857720264 LUJFPEAMTZYVMG-NSHDSACASA-N 392.769 1.965 0 50 GDAA CCc1ccc(-c2cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)n[nH]2)cc1 1857722522 KKLHCPPAXWHAAX-BZSNNMDCSA-N 384.480 1.593 0 50 GDAA O=C(CC1CCN(Cc2ccccc2)CC1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857731198 BYJMDXYHRHAUKL-KNQAVFIVSA-N 383.492 1.848 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cn(C)nc3C)CC(=O)N2[C@H]1c1ccccc1 1857732625 YRLGIVCFFBTKLR-BJLQDIEVSA-N 382.464 1.676 0 50 GDAA CN(C)CCCN1CC2(CCN(C(=O)[C@@]3(C)CCCCO3)CC2)OCCC1=O 1857738462 IXWHINDVMUJADL-HXUWFJFHSA-N 395.544 1.507 0 50 GDAA COc1cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c(OC)cc1Br 263538381 AWKVGYFDDMSUGX-LBPRGKRZSA-N 396.259 1.854 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 1704305579 LPFJKELTJSNTDS-PWSUYJOCSA-N 378.372 1.183 0 50 GDAA CCCSCC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 864096781 FHHLLGAFEOKPAF-UHFFFAOYSA-N 385.555 1.252 0 50 GDAA Cc1cc(S(C)(=O)=O)cc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1C 1875264126 FFAFEVZNADDGQK-CQSZACIVSA-N 391.497 1.841 0 50 GDAA CCc1cc(C(=O)N2CC[C@H](N=c3nc(O)c4cnn(C)c4[nH]3)C[C@@H]2C)no1 1875303840 PQBMGZYWCDSJTQ-QWRGUYRKSA-N 385.428 1.146 0 50 GDAA O=C1CCN(Cc2sccc2Br)C(=O)[C@@H](Cn2cncn2)N1 1875404558 MQJJBUDTKKTXBL-SNVBAGLBSA-N 384.259 1.019 0 50 GDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCCN(c3nc4ccccc4o3)CC1)CC2 2100482999 LMUTWRWZIPHDAL-AWEZNQCLSA-N 396.451 1.024 0 50 GDAA O=C(CCOc1ccccc1)N[C@H]1C[C@H](C(=O)NCc2ccncc2)C[C@@H]1O 2100545249 LHXUXYJGUQMCBC-WDSOQIARSA-N 383.448 1.423 0 50 GDAA CCN1CCc2c(cccc2NC(=O)C(=O)N[C@H](C)c2nnc3ncccn23)C1 2325744479 WJRADHHKYIHWKX-CYBMUJFWSA-N 393.451 1.318 0 50 GDAA CCO[C@H](CC)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cccn2nccc12 2325793827 IZHQMIXCSPMVFP-RHSMWYFYSA-N 376.457 1.041 0 50 GDAA CN1CCN(c2cc(F)cc(CNC(=O)N=c3nc4ccccn4[nH]3)c2)CC1 2325806053 PNYKBDWACUKCBW-UHFFFAOYSA-N 383.431 1.364 0 50 GDAA Cc1cnn(C2CCN(C(=O)C(=O)N3CCC[C@@H](c4ccnn4C)C3)CC2)c1 2325817130 PXCZEJVCFRQTBG-MRXNPFEDSA-N 384.484 1.495 0 50 GDAA CC[C@@H](C(=O)N(C)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=N)nc1C)N(C)C 2325873061 XMLVGEGPJGCFAZ-IVSAIRAKSA-N 388.516 1.132 0 50 GDAA CN1CCN([C@H]2COC[C@@H]2Nc2nccc(-c3ccc(N(C)C)cc3)n2)CC1 2356156398 ZTXOTSHDAOOSFM-PMACEKPBSA-N 382.512 1.636 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4250529 YKAPDJCVORQBMM-UHFFFAOYSA-N 381.392 1.010 0 50 GDAA CCC(=O)N1CCC[C@@H](C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)C1 225564376 WCGQXTLYIUMKSF-CQSZACIVSA-N 385.472 1.446 0 50 GDAA CN(C)c1nc(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)cc(C(F)(F)F)n1 107409967 KLWXVPMXRCDDLR-MRXNPFEDSA-N 386.422 1.352 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 55089488 XXWTXNWKBFYMBR-MRXNPFEDSA-N 375.473 1.472 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)c(=O)n2n1 102725023 CHIBLAJNPZBORC-OAQYLSRUSA-N 397.479 1.586 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3ccc(F)c(OC)c3F)C2)nn(C)c1=O 67818767 SFPIIXJRTVJDQF-NSHDSACASA-N 380.395 1.908 0 50 GDAA COc1ccsc1S(=O)(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 120859883 VXPGYCWVDDYIEY-LLVKDONJSA-N 379.463 1.834 0 50 GDAA COCc1nc([C@H]2COCCN2C(=O)Nc2ccnn2[C@@H](C)C2CC2)no1 330066067 DKXZRAJCRNWHBT-WCQYABFASA-N 376.417 1.989 0 50 GDAA O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77538916 MLVALFFYDPJQCV-KRWDZBQOSA-N 378.494 1.829 0 50 GDAA C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1OCCN1CCOCC1)C2 219882379 ZSRXENANDGIFPA-KRWDZBQOSA-N 386.496 1.663 0 50 GDAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCn3nc(CO)cc3C2)CC1 218990016 BVDHMXAHPFZVOF-UHFFFAOYSA-N 382.464 1.578 0 50 GDAA Cc1nn(C)c2ncc(CNC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)cc12 328625766 KZIBBCKXEHOJBS-HNAYVOBHSA-N 381.484 1.628 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3c(O)ncnc3C2)cc1C 329007830 NNYWRGUBPPDOCE-UHFFFAOYSA-N 390.465 1.004 0 50 GDAA O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1CCCN1C(=O)Cc1cccs1 151904197 GLHBUHHZKXYBII-OAHLLOKOSA-N 382.449 1.896 0 50 GDAA CO[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ncc[nH]3)c2)C1 216477078 BXJAAMHLKBBJIV-CQSZACIVSA-N 378.454 1.139 0 50 GDAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 154291951 KKHYPSBOJUWAOB-AWEZNQCLSA-N 375.450 1.983 0 50 GDAA Cc1c(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)nnn1C1CCNCC1 237694211 NVIQVQKWKVOPCV-SUMWQHHRSA-N 382.468 1.435 0 50 GDAA CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 157075801 RZOBJTARLIVKQZ-ZDUSSCGKSA-N 375.458 1.244 0 50 GDAA COc1coc(CN2CCC[C@@](O)(CNC(=O)N3CCCC3)CC2)cc1=O 72163803 DMFKVLVYYCKIIM-IBGZPJMESA-N 379.457 1.171 0 50 GDAA CN1C(=O)[C@](CC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21 71735680 DIBOKXHMCBCUKT-QFIPXVFZSA-N 379.460 1.914 0 50 GDAA Cn1cc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(-c2ccncc2)n1 159906185 UOBXNKMIBIQXTK-UHFFFAOYSA-N 398.492 1.384 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 19841585 WAAWIAJIJFNALK-MTCRFPMVSA-N 381.480 1.315 0 50 GDAA O=C(c1ccc(-c2cncnc2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 426535656 HLZLEEGJEHMDJN-UHFFFAOYSA-N 380.448 1.855 0 50 GDAA CCn1nc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C 95380297 JOGCJHARJWDILH-ZDUSSCGKSA-N 376.457 1.564 0 50 GDAA O=C(NCC[C@@H]1CCCCN1Cc1ccccc1)N1CCS(=O)(=O)CC1 426429721 DQFKJVMEGRHRBC-SFHVURJKSA-N 379.526 1.871 0 50 GDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cccc(Cn3cncn3)c2)C1 95506220 GYBZCDYVIISTDD-HNNXBMFYSA-N 377.470 1.615 0 50 GDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCc1c[nH]c2ccccc12 97137572 RBLSQVQOMZCJMU-UHFFFAOYSA-N 378.480 1.991 0 50 GDAA CC(=O)c1ccc(OCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1 95531158 OQEZEANIYQVLNF-INIZCTEOSA-N 384.436 1.356 0 50 GDAA O=C(C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1)N1CCCC1 95352423 KNCZPNATIIYWLJ-PWIZWCRZSA-N 397.475 1.426 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CCc2cccs2)CN1Cc1ncc[nH]1 95377253 KREFHCPFOVEXLW-HIFRSBDPSA-N 375.498 1.299 0 50 GDAA CNC(=O)CN1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95503390 BYYLMKQFFSDPRU-FQEVSTJZSA-N 386.540 1.615 0 50 GDAA CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)no1 91381483 VKJIGMMLJBMQRL-UHFFFAOYSA-N 381.458 1.090 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@H]1O 253388870 CXQKCMGAIZFUAQ-BPCAWRKVSA-N 375.377 1.363 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1cccnc1N)CC2 534581254 YXMGHRCFTRBXSP-FUHIMQAGSA-N 384.484 1.189 0 50 GDAA Cc1cnc(-n2cnnc2)c(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)c1 534577249 ZTMUNFJFCDXKJD-KRWDZBQOSA-N 376.420 1.646 0 50 GDAA O=C1CO[C@H](CNc2ncnc3[nH]ccc23)CN1CC1CCN(CC2CC2)CC1 299797825 QLMLNUWZKDCMOY-QGZVFWFLSA-N 398.511 1.719 0 50 GDAA COCC1(CNC(=O)N2CCN(C(=O)c3ccccc3OC)CC2)CCC1 584890889 LOQORKVOAZCESJ-UHFFFAOYSA-N 375.469 1.979 0 50 GDAA CCNC(=O)c1cc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)nc2ccccc12 170617513 IZSKZGKJXLDOIM-NSHDSACASA-N 378.454 1.203 0 50 GDAA O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NC[C@H]1CC[C@H](O)C1 170609884 KSAJPSLYKWLECN-GJZGRUSLSA-N 393.509 1.563 0 50 GDAA Cc1nc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)c(-c2ccccc2)o1 277606346 SWRMNEZKLWWLNM-CYBMUJFWSA-N 379.420 1.938 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1=O 729343095 SATOEMVMNMQJCT-KRWDZBQOSA-N 397.479 1.611 0 50 GDAA O=C1CCN(c2ccccc2C(=O)N(CCO)Cc2ccc(F)cc2)C(=O)N1 1506405764 LKEVBDVAEMPCFC-UHFFFAOYSA-N 385.395 1.907 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCCN(C(=O)Cc3c(F)cccc3Cl)CC2)N1 1772711616 FQKRKFKPGQNNTD-HNNXBMFYSA-N 381.835 1.361 0 50 GDAA CCn1nc(CC(=O)NC)nc1[C@@H]1CCCN(C(=O)c2cccnc2O)CC1 1772815495 SSEJDHHKWSLTND-CYBMUJFWSA-N 386.456 1.097 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 12198986 SAXVJSXOPZTSNN-GOSISDBHSA-N 387.459 1.261 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O 13816075 SMZFDNFDFDVQBY-UHFFFAOYSA-N 383.408 1.102 0 50 GDAA CCn1nc(-c2nc(-c3ccc(C(N)=O)cc3)nn2-c2ccnn2C)cc1C 1857675395 WKKGRMNRRPGXOX-UHFFFAOYSA-N 376.424 1.959 0 50 GDAA Cc1nc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c2cnn(C)c2n1 1857676142 CVSJQAVJFWAAAN-HXUWFJFHSA-N 378.436 1.925 0 50 GDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NCCCOc1cccnc1 1857689518 GDBLRYHRXIHFQR-HNNXBMFYSA-N 380.452 1.945 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)N1CCOC[C@H](CN2CCCCCC2)C1 1857713439 JHXKGMMOKMUGDX-QGZVFWFLSA-N 387.480 1.946 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@H](N)Cc3c[nH]c4ccccc34)CC2)cn1 1857741568 YSKMAOWKCZJFEB-GOSISDBHSA-N 379.464 1.790 0 50 GDAA CC(=O)NCc1cnc2c(c1)CN(C(=O)[C@H]1CC(=O)N(C)c3ccccc31)CC2 1875242605 XEYWHNIZTJJVGL-SFHVURJKSA-N 392.459 1.753 0 50 GDAA CC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCCCO)C1 1875243968 GKQQMRZIAFPYMJ-QFIPXVFZSA-N 395.507 1.971 0 50 GDAA COCCN1C(=O)C[C@@H](CN=c2nc(C3CC3)[nH]s2)[C@@H]1c1cnn(C)c1 328611808 MRAPFEFZFLDBLM-SWLSCSKDSA-N 376.486 1.219 0 50 GDAA CC(C)Nc1ncc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)cn1 247983460 HVVYWAPUPVHIAT-YWZLYKJASA-N 382.420 2.000 0 50 GDAA COC(=O)[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)Cc1ccc(O)cc1 266147554 QABIOMFASQAGMF-HNNXBMFYSA-N 388.395 1.296 0 50 GDAA CCc1nc([C@@H]2CN(C(=O)C3=NN(CC(C)C)C(=O)CC3)Cc3c[nH]nc32)n[nH]1 1875393354 LIDUFQUSGYJUEN-CYBMUJFWSA-N 398.471 1.199 0 50 GDAA CS(=O)(=O)c1ccc([C@@]2(NC[C@H](O)COCc3ccco3)CCOC2)cc1 1875391977 VJNVFFYKMUWKJL-QFBILLFUSA-N 395.477 1.466 0 50 GDAA Cc1nc(C(=O)N2CCC(c3ccn(C)n3)CC2)nc(N2CC[C@@H](N)C2)c1C 1875400882 BOCZVFLEIBBLQM-MRXNPFEDSA-N 383.500 1.384 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cscn2)cc1OC 2100483041 NNSOFZRXXGVGTF-SJORKVTESA-N 391.449 1.075 0 50 GDAA CN(C)[C@]1(C(N)=O)CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)C1 2325803417 FNWDJYHUYHDNDL-OAQYLSRUSA-N 377.448 1.862 0 50 GDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCc2nc(C3CC3)nn2CC1 2356142016 AAKMPBORSLFUCN-UHFFFAOYSA-N 376.438 1.174 0 50 GDAA COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1 2811832 KYJPZRGMJWCOFF-UHFFFAOYSA-N 382.482 1.588 0 50 GDAA CCc1oc(C(=O)N2CCN(CC(=O)O)C(=O)[C@H]2C)cc1CN1CCCC1 55036055 PQXZTDRSWHVACC-CYBMUJFWSA-N 377.441 1.195 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 12308771 VAWJAYQTDPGKLS-MRXNPFEDSA-N 397.405 1.720 0 50 GDAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)c(OC)c1 55243483 JFZRYXADELLOCF-KRWDZBQOSA-N 387.436 1.304 0 50 GDAA Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55576362 KTPVPPLBGHJKKJ-INIZCTEOSA-N 393.394 1.005 0 50 GDAA O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H]1CCCCNC1=O 247806448 ZNYSZWSLOHGJRH-DLBZAZTESA-N 387.480 1.770 0 50 GDAA Cc1cccc(CN2CCN(c3nnnn3-c3ccccc3)C[C@H]2CCO)n1 107006522 FCHGIFCEGXSLHL-LJQANCHMSA-N 379.468 1.439 0 50 GDAA O=C1NCCc2ccc(S(=O)(=O)N(CCO)[C@H]3CCc4ccccc43)cc21 119547408 PGTCDPWDMVPNNZ-IBGZPJMESA-N 386.473 1.643 0 50 GDAA Cc1c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)nnn1Cc1ccc(F)cc1F 252503697 VFSUUKBQFMGGIB-INIZCTEOSA-N 389.406 1.796 0 50 GDAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 328640128 XDZUGAFUHPYJIH-MAUKXSAKSA-N 393.465 1.873 0 50 GDAA CC(C)n1cc(C[C@@H]2N=C(O)N(CC(=O)N(C)Cc3cccs3)C2=O)nn1 328614058 VDMQTKUHPFAKOD-AWEZNQCLSA-N 390.469 1.246 0 50 GDAA C[C@H](C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)S(=O)(=O)C1CCOCC1 332773033 XHCSSCQDMGZANZ-JLSDUUJJSA-N 380.510 1.183 0 50 GDAA Cc1ccc(N2CCC(NS(=O)(=O)c3cnn4c3OCCC4)CC2)nc1 333095465 BQKIHWNLBVRQQK-UHFFFAOYSA-N 377.470 1.316 0 50 GDAA CC1(C)CN(C2(CNC(=O)NCCNC(=O)C3CC3)CCCCC2)CCO1 363509629 HIGICXRIZOVTBO-UHFFFAOYSA-N 380.533 1.626 0 50 GDAA Cc1ccc(S(=O)(=O)CCC(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)cc1 72153211 FPPJVWGRIYKLID-GOSISDBHSA-N 394.537 1.607 0 50 GDAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H](C)Cn2cncn2)C1 77470495 SRAUGVGXRFUTRE-ZDUSSCGKSA-N 378.440 1.535 0 50 GDAA CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72446712 RJYRUKKAHXYJIQ-QGZVFWFLSA-N 397.541 1.653 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(CC(=O)Nc1cc(F)ccc1F)C2 284926810 VZFARPFNHSVENP-UHFFFAOYSA-N 395.431 1.870 0 50 GDAA CN1CCN(C)[C@H](CC(=O)NCc2cccnc2N(C)Cc2ccccc2)C1 43125077 QETGNQVWEGYGEA-HXUWFJFHSA-N 381.524 1.970 0 50 GDAA Cc1nc(C)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)s1 220580112 VIPSOGAOKDKJKY-HUUCEWRRSA-N 375.450 1.825 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3nc[nH]c3c2)o1 426689312 SQLPWUVPQAIZOY-SFHVURJKSA-N 381.436 1.471 0 50 GDAA O=S(=O)(c1ccc2nc[nH]c2c1)N1CCC[C@H](c2ccn(CCO)n2)C1 426662502 UOPCPLCSSAMSLZ-ZDUSSCGKSA-N 375.454 1.320 0 50 GDAA CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 95374018 XJTZAXGKJSWVLR-UHFFFAOYSA-N 375.388 1.958 0 50 GDAA O=C(Nc1cccc(Cn2cncn2)c1)N1CCCO[C@H](Cn2cccn2)C1 95516804 NVKMVURBWZPNIR-SFHVURJKSA-N 381.440 1.846 0 50 GDAA C[C@H](c1nnc(N)s1)n1cc(-c2ccc(Sc3nncn3C)o2)nn1 91255561 GVISIHQMZGRQRW-SSDOTTSWSA-N 375.443 1.861 0 50 GDAA Cc1oncc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95524795 CPWJJQDDCIYUEJ-DZGCQCFKSA-N 376.438 1.190 0 50 GDAA Nc1nc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc(=O)[nH]1 95525189 SYQSJPGPYPPECW-PWIZWCRZSA-N 397.454 1.123 0 50 GDAA CN1C(=O)CC[C@H](C(=O)NCCc2ccc(C(=O)O)cc2)[C@H]1c1cnn(C)c1 299749948 MFDKWGNNJXEHMS-FUHWJXTLSA-N 384.436 1.387 0 50 GDAA CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)CC(C)C)CC1)C(=O)O 248092940 WHAXKINQLQZULX-VQHPVUNQSA-N 383.533 1.898 0 50 GDAA biogenic CN1C(=O)NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C1=O 248078319 ZWXCYLAOHCOJKU-BLLLJJGKSA-N 383.326 1.161 0 50 GDAA O=C(CCN1CCN(c2nccnc2O)CC1)NCc1cccc(Cl)c1 253536846 PXFRHCRMNPMLHY-UHFFFAOYSA-N 375.860 1.664 0 50 GDAA Cc1cc(C(=O)N2CCOC[C@H]2C(=O)O)c(C)n1-c1ccc2c(c1)OCCO2 299748846 IKPCXXMGKOAURN-INIZCTEOSA-N 386.404 1.791 0 50 GDAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)[C@H]1CN 299739220 LXNOLCDLQFZBQP-CJNGLKHVSA-N 379.486 1.142 0 50 GDAA Cc1cccc(-c2ncc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)cn2)c1 825224800 VTOKWLHIJNRRRA-UHFFFAOYSA-N 378.480 1.834 0 50 GDAA Cc1cccc(CN(Cc2ccccc2)C(=O)NC[C@@H]2CN(C)C(=O)CO2)n1 584884602 IRRZSYQFDSINNQ-LJQANCHMSA-N 382.464 1.959 0 50 GDAA Cc1cc(C)n(CCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)n1 670467754 JUMHGOGOVMKILT-GOSISDBHSA-N 387.484 1.298 0 50 GDAA O=C(c1ccc2nnc(O)n2c1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 1355230971 BRFRNPSFZZZENH-CABCVRRESA-N 379.420 1.557 0 50 GDAA CS(=O)(=O)N1CCC(c2nnc3sc(Cc4ccccc4)nn23)CC1 951726608 DOXMTQDFCUGBMP-UHFFFAOYSA-N 377.495 1.916 0 50 GDAA CCOc1ccccc1CN1CCN(C(=O)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 1565511155 CDVOBUZAXCCUOC-MSOLQXFVSA-N 392.521 1.695 0 50 GDAA COCCN1C[C@H](C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)CCC1=O 952863014 UFAUTXADNSOBHY-CYBMUJFWSA-N 376.409 1.484 0 50 GDAA O=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 274880470 CQKWFBMAVWRHKT-YNZJMPHRSA-N 381.429 1.621 0 50 GDAA COCCN(C)c1ccc(CN2CCN(c3cc(C)nc4ncnn34)CC2)cn1 191228418 CRGQDLJBWNFWHH-UHFFFAOYSA-N 396.499 1.233 0 50 GDAA COc1ccc(NC(=O)c2cccnc2N2CC[C@H](O)[C@H](CO)C2)c(OC)c1 1615940746 AEVMQJHNPUNZIB-GUYCJALGSA-N 387.436 1.531 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)c2c(F)cccc2Cl)C1 1506404026 FAOXXEDKFGYIKK-LLVKDONJSA-N 377.869 1.727 0 50 GDAA CC(C)n1cc(C(=O)N2C[C@@H]3OC(=O)N(CCN4CCCCC4)[C@@H]3C2)cn1 211365590 QTAHTURTSKBVPB-SJORKVTESA-N 375.473 1.595 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2COCC[C@]2(CO)C1 1772701743 HEDWQNNSZOZKAM-CRAIPNDOSA-N 377.466 1.200 0 50 GDAA C[C@H](C(=O)N1CCC2(CC1)CN(C)CCO2)N(c1ccccc1)S(C)(=O)=O 1772811081 OGMIISWPQIDOCR-MRXNPFEDSA-N 395.525 1.164 0 50 GDAA COc1ccc(CCN2C[C@@H](C(=O)N(C)CCc3cn[nH]c3)CCC2=O)cc1 11662581 OQGRGSCLLNGVKW-SFHVURJKSA-N 384.480 1.901 0 50 GDAA CN(C)CCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 13672327 HDXLHDBMQWYKIR-UHFFFAOYSA-N 375.494 1.944 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cccnc1 15072294 PYZQXTVLCZHDIB-IBGZPJMESA-N 396.491 1.530 0 50 GDAA COc1cc(F)ccc1CN1CCO[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 1857691500 NRIIBMTYLGMGFV-HXUWFJFHSA-N 388.443 1.685 0 50 GDAA O=C1CO[C@@H](Cn2ccnc2-c2cnc[nH]2)CN1CC1CCN(CC2CC2)CC1 1857706029 HFCGMHPRFOXGAI-SFHVURJKSA-N 398.511 1.623 0 50 GDAA COCCC(=O)NC[C@H]1[C@H]2CN(c3ncc4c(n3)CCCC4)C[C@]23CC[C@H]1O3 1857729222 AQIDTEBKJDUDKQ-LTVCHDBBSA-N 386.496 1.492 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875244217 FDDQHTXFKRQKSM-RDJZCZTQSA-N 376.482 1.132 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCN(C)C)C1 1875247005 PBSITWMDAONWKD-JOCHJYFZSA-N 394.523 1.760 0 50 GDAA C[C@H]1Oc2ccccc2N(CCC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)C1=O 263912900 KSUUMKRZUAXZJV-GDBMZVCRSA-N 393.443 1.881 0 50 GDAA CCC[C@]1(C(=O)O)CN(CC(=O)NCCc2cccc(Cl)c2)CC[C@H]1O 1704306961 ZKLAWKWIMRJUOM-APWZRJJASA-N 382.888 1.936 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)c(C)s2)n[nH]1 1704301027 HABMBNYQEBXLKN-CMPLNLGQSA-N 385.467 1.211 0 50 GDAA N=c1nn[nH]n1-c1cccc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)c1 823006786 WCSRKEBYQRENGE-HXUWFJFHSA-N 376.420 1.685 0 50 GDAA CC[C@H](N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1)c1cnn(C)c1 1875397807 ORZJHISZYTYQFR-SJORKVTESA-N 385.516 1.848 0 50 GDAA O=C(NS(=O)(=O)c1ncc[nH]1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1875339015 SVPNQQQWFUCQJJ-UHFFFAOYSA-N 387.299 1.597 0 50 GDAA Cn1c(CN2C(=O)[C@@]3(CCN(C(=O)CO)C3)c3ccccc32)nc2ccccc21 2100537616 RWWZOBFVWONDBZ-JOCHJYFZSA-N 390.443 1.583 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2noc(C)n2)CC[C@H]1NC(=O)NC(C)C 2100544672 DUBQPHTWIXHSLO-RRFJBIMHSA-N 381.477 1.666 0 50 GDAA Cc1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)ccc1-n1cnnn1 2325728913 LHZZZRBGCXGUOC-UHFFFAOYSA-N 396.436 1.411 0 50 GDAA COCCn1cc(CNC(=O)/C(C)=C/c2ccc(F)c(F)c2)c(O)nc1=O 2325774027 SZGRRZXGSVVMQM-YRNVUSSQSA-N 379.363 1.593 0 50 GDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccnnc1)C(=O)NC1CN(c2ccccc2)C1 2325781597 LYJHDDLLDYXRFL-SFHVURJKSA-N 397.479 1.917 0 50 GDAA O=C(C[C@H]1CN(C(=O)COC2CC2)C2(CCC2)CO1)N[C@H]1Cc2cccnc2C1 2325785221 KOQUNICHGGDRDZ-WMZOPIPTSA-N 399.491 1.384 0 50 GDAA Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC(N)=O 1108914 MQDIBTXJCGQARO-GHMZBOCLSA-N 376.862 1.310 0 50 GDAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)CNS(C)(=O)=O)C2=O)cc1 2356148063 FUGNAPYLLUAADT-SFHVURJKSA-N 379.482 1.032 0 50 GDAA CC[C@H]1CN(CCNC(=O)c2nc3ncccn3n2)Cc2cc(OC)ccc2O1 11783208 GYCPXPRGTIAXOE-HNNXBMFYSA-N 396.451 1.536 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3cccc(Cl)c3)nn2)CN1 67642621 YSGMYZTYEUBSGO-KGLIPLIRSA-N 390.875 1.246 0 50 GDAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)cnc1N 119281277 YQKUVZNVHMMEIN-VIFPVBQESA-N 387.263 1.140 0 50 GDAA O=C1CN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CCN1 64103431 MFVXGSZVXIHGCQ-UHFFFAOYSA-N 375.498 1.734 0 50 GDAA COc1ccc2oc(=O)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c1 2707862 GHPIPWFLANXOAV-UHFFFAOYSA-N 382.372 1.993 0 50 GDAA O=C(NCc1ccnc(-n2ccnc2)c1)NC[C@H]1CCN(CC(F)(F)F)C1 363207447 DXOPBLVMMIAQJE-CQSZACIVSA-N 382.390 1.951 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CCO1 328628461 HHACKAQDLNOEPC-NSHDSACASA-N 389.221 1.446 0 50 GDAA CN1C(=O)CO[C@H](C(=O)N2CCCN(c3cccnn3)CC2)[C@H]1c1ccccc1 370118361 BPLBWMIOUOSLAX-UXHICEINSA-N 395.463 1.114 0 50 GDAA O=C(C[C@H]1COCCN1Cc1cc2ccccc2[nH]c1=O)N1CCSCC1 72424511 LBNOAXWQCAFTEY-KRWDZBQOSA-N 387.505 1.694 0 50 GDAA O=C(NCc1ccc2c(c1)CNC2)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 262797874 QGAKOAZOHCAROR-GOSISDBHSA-N 393.443 1.940 0 50 GDAA C[C@H](NC(=O)CN1CC[S@](=O)C[C@H]1c1cnn(C)c1)[C@H]1C[C@H]2CC[C@H]1C2 333021596 BPCPVKPDGMTUCU-FNSPKFMPSA-N 378.542 1.466 0 50 GDAA CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([C@H]2C[C@H](N)CCO2)CC1 333320924 ULKLLVFHRFHYRC-RKTXRCNFSA-N 383.558 1.679 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 448013082 LPWOQDRRIWRENU-DCGLDWPTSA-N 383.470 1.395 0 50 GDAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC1CCN(c2ncccn2)CC1 175414445 ZVTPIWKMJXCLHQ-FQEVSTJZSA-N 395.507 1.853 0 50 GDAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)CS(=O)(=O)c3ccccc3)CC2)C1 131757442 CXKDVRVDQBRKCH-INIZCTEOSA-N 392.521 1.957 0 50 GDAA CNC1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 179139030 NHRRRCTUKSZSDF-UHFFFAOYSA-N 390.303 1.229 0 50 GDAA CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 46899194 TXUAIMDWRKQVJG-UHFFFAOYSA-N 377.470 1.049 0 50 GDAA Nc1cc(-c2ccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2)ncn1 426635629 WYXCCWXGGZPGIZ-INIZCTEOSA-N 375.436 1.915 0 50 GDAA CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCCOC3)c2)cn1 95378553 YPARUOLNPWRVDY-INIZCTEOSA-N 392.481 1.290 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)NCc3ccccc3)C[C@H]2CCC(=O)O)CC1 91645841 UUBNBCOVRSYEDZ-MOPGFXCFSA-N 388.512 1.699 0 50 GDAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2nc3ccccc3n(C)c2=O)C1 95526364 MSPSBEOEOSBXQU-OAHLLOKOSA-N 395.463 1.796 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN2CCCOCC2)c1 95516380 DGIHYCXFIMQJCB-LJQANCHMSA-N 394.512 1.114 0 50 GDAA O=C(NCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2)c1cccnc1 95531096 DMBDCQMOIDEDHL-UHFFFAOYSA-N 377.404 1.490 0 50 GDAA COc1cccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1OC 248138827 QCWJMPPMCUCZPH-YVSFHVDLSA-N 396.399 1.607 0 50 GDAA COc1ccc([C@@H](NC(=O)CN2CCCN(C)CC2)[C@H]2C[C@@H](O)C2)cc1F 244608563 FETSLTYQVTVNHH-GQIGUUNPSA-N 379.476 1.400 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OC)cc2OC)c1O 253623976 XDNHZWORMOVOCV-NSHDSACASA-N 376.365 1.304 0 50 GDAA biogenic CCOC(=O)CCNC(=O)[C@H]1C[C@@H](C(=O)OC)N(C)[C@H]1c1cccc(F)c1F 39379353 SYZMNNBIBINBCZ-JDFRZJQESA-N 398.406 1.569 0 50 GDAA NC(=O)CN1CCC[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 1341685960 WDBIJUBPJITMLK-GFCCVEGCSA-N 396.278 1.859 0 50 GDAA O=C1CCCN1CCCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 952860229 ITCJYFBMCZMSFR-KRWDZBQOSA-N 378.494 1.605 0 50 GDAA C[C@]1(c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2)NC(=O)NC1=O 268894433 BIKNRUXEIUPPGN-ZCQATVAHSA-N 385.420 1.599 0 50 GDAA CCCc1cc(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n2ncnc2n1 185509974 UOFPDGAXMDDXDM-GOSISDBHSA-N 394.479 1.959 0 50 GDAA COc1cccc2c(O)c(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cnc12 170600161 DKJBFIIHTOAUJJ-AWEZNQCLSA-N 399.447 1.660 0 50 GDAA COc1ccnc(C(=O)N2CCCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)c1 1529158703 JVEIDWRRIPJTFN-IBGZPJMESA-N 383.448 1.368 0 50 GDAA COCCN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529089816 BPIIDHWBPVVGHT-SJORKVTESA-N 375.450 1.374 0 50 GDAA O=C(O)CNC(=O)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@@]2(CCc2ccccc2)C1 1772814215 OGTOPENEACEUHU-AVRDEDQJSA-N 399.491 1.974 0 50 GDAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)c1 11812924 AMFQUAGHWLQQIN-INIZCTEOSA-N 388.464 1.964 0 50 GDAA COCCN1C[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)CCC1=O 11821959 KFWAOCFYFMLGGY-HNNXBMFYSA-N 377.460 1.796 0 50 GDAA Cc1cc(C)n(CC(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1 12052645 PROPSWWSBLVSAB-KRWDZBQOSA-N 398.511 1.956 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(CCOC)C(C)C 12313922 CQPTZABLUPLRQF-SFHVURJKSA-N 391.512 1.659 0 50 GDAA CCN(CC)C[C@@H](O)COc1ccc(CNCc2nccn2C)cc1OC 12444840 PCMMURMGLIFWGL-QGZVFWFLSA-N 376.501 1.800 0 50 GDAA CCOC(=O)CN(C)C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 12595324 UFYBJFJXXDXKSP-UHFFFAOYSA-N 392.452 1.720 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1 14964396 FEUDBVFPQIYQNX-GOSISDBHSA-N 385.439 1.841 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCCCOc1cccnc1 15069749 ARIVBBURBVRQBO-FQEVSTJZSA-N 396.491 1.400 0 50 GDAA COc1cc(C)c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1C 19821073 ZNTXEHTUVVOXTC-WMLDXEAASA-N 387.523 1.347 0 50 GDAA COc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Br 19890994 CKYOVHZZGCHIBA-UHFFFAOYSA-N 379.276 1.068 0 50 GDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 169497541 VIJOFSNJFFTTLZ-GUYCJALGSA-N 380.400 1.572 0 50 GDAA COc1ccccc1OCC(=O)N[C@H]1CC[C@@H](NC(=O)c2c(C)ncnc2C)C1 1857704182 HDFQMRRUKGEION-JKSUJKDBSA-N 398.463 1.948 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(c2nc[nH]n2)CC1 1857722818 OVYXCSRQRCBXDI-CQSZACIVSA-N 396.455 1.296 0 50 GDAA Cn1cnnc1SCC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857739095 JKAFKIMDQBWCJF-KHYOSLBOSA-N 399.476 1.208 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4ncon4)CC3=O)sc2c1 1875245490 BVGPFGJXGJVNHV-JTQLQIEISA-N 387.421 1.747 0 50 GDAA C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccc3cn[nH]c3c2)CC1 225615160 XXCZDXJQILXGLL-INIZCTEOSA-N 383.496 1.651 0 50 GDAA Cc1ccc(CC(=O)N2CC3(CN(C)C[C@@H]3c3cc[nH]c(=N)n3)C2)c(Cl)c1 1875393167 IFSWKNRHGNLZEG-OAHLLOKOSA-N 385.899 1.951 0 50 GDAA Cc1c(S(=O)(=O)NC(=O)CCc2nc(-c3ccsc3)no2)cnn1C 813954022 LBKJMZXVDGJVMJ-UHFFFAOYSA-N 381.439 1.278 0 50 GDAA O=C1NCCO[C@H]2CCCN(C(=O)COc3cccc(Br)c3)[C@@H]12 830066671 KQDVMVVVOVWTAC-DZGCQCFKSA-N 383.242 1.334 0 50 GDAA O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCC(=O)NCc1ccncc1 952874650 RFFDQKKFXLLABX-QGZVFWFLSA-N 380.448 1.795 0 50 GDAA COC(=O)c1cc(Br)cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1 1875299650 QVHKYVCFOPDWEF-MRXNPFEDSA-N 396.241 1.410 0 50 GDAA C=CC(=O)N[C@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc(C(C)C)cc1 1875385818 CEDLDOQTHMKNLK-IAGOWNOFSA-N 393.509 1.303 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NC2CCC3(CC2)COCCO3)ncn1 1875401696 PHDLXSASWVVARN-MUZJZNNISA-N 391.516 1.118 0 50 GDAA NC(=O)C[C@@H]1CN(C(=O)c2ccc(Br)c3c2OCCC3)C[C@H]1O 1875402351 DELYWBJLBHCJJV-NOZJJQNGSA-N 383.242 1.082 0 50 GDAA Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2)cn1 886040537 DVEMPJDKCNWQBH-DOTOQJQBSA-N 383.408 1.583 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cccnc2)cc1OC 2100555220 NCKKHQQHRLLRTO-MOPGFXCFSA-N 385.420 1.014 0 50 GDAA Brc1ccc(-c2noc(-c3cn(C[C@@H]4CNCCO4)nn3)n2)s1 2325771039 YDWYHDXVBKXDKF-QMMMGPOBSA-N 397.258 1.808 0 50 GDAA CC(=O)NC[C@@H]1CN(C(=O)c2cnc3snc(C)c3c2)C[C@H]1c1cncn1C 2325782723 ZGRGHQCBZJMJDE-GDBMZVCRSA-N 398.492 1.725 0 50 GDAA Cn1cc([C@@H](NC(=O)C(=O)NCC2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)C(F)(F)F)cn1 2325798882 HSFHTQGNOFSENN-NWINYUPESA-N 399.373 1.057 0 50 GDAA Brc1cc(N2CCN(c3n[nH]c(Br)n3)CC2)ncn1 2325802348 BGZRUXFODFENDF-UHFFFAOYSA-N 389.055 1.446 0 50 GDAA Cn1cc(NC(=O)C[C@@H](C(N)=O)c2ccc(Cl)cc2Cl)c(O)nc1=O 2325851729 HMTHHGMUXNEPDB-SECBINFHSA-N 385.207 1.390 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 2325888567 FYNSJFRVAFJBTJ-HNNXBMFYSA-N 375.494 1.847 0 50 GDAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@@H]1O 2356149970 GHFMDLBPDIFSBU-JVPBZIDWSA-N 385.464 1.133 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ccccn3)CC2)n1 6741689 ZSWJKHGKHXZXNX-UHFFFAOYSA-N 389.481 1.404 0 50 GDAA COC(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C)c1 462584234 JADIWVDENZIBTE-UHFFFAOYSA-N 382.482 1.802 0 50 GDAA NC(=O)NCc1cn(C[C@H]2CCCN(C(=O)NC3CCCCCC3)C2)nn1 55309497 IJMASPGEEOTLPS-AWEZNQCLSA-N 377.493 1.591 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCSCC1 55073463 PHIJTHRRZDWPOJ-UKINESCASA-N 389.521 1.474 0 50 GDAA COCCn1c(CN(C)C[C@H]2CCCN2C)cnc1S(=O)(=O)CC1CC1 20598885 WAZOYWISZURQNT-MRXNPFEDSA-N 384.546 1.239 0 50 GDAA O=C1CCCN1CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCNCC2)C1=O 67934405 RPKUAETYSBNSDW-QFIPXVFZSA-N 398.507 1.532 0 50 GDAA CN1CCC(NS(=O)(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 253427017 CUVPYANXQACRMQ-QGZVFWFLSA-N 381.498 1.411 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)C3CCOCC3)c2)CC1 20294545 GAJGVFGCAWTDJS-OAQYLSRUSA-N 391.556 1.675 0 50 GDAA C[C@H](Cn1cncn1)NCc1cccnc1N1CCN(c2ccccn2)CC1 67770054 RZTWGLLGABLMCF-QGZVFWFLSA-N 378.484 1.573 0 50 GDAA CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)COCCOc1ccccc1)C2 253419423 RCCNAXZKRZPNFQ-ROUUACIJSA-N 389.496 1.282 0 50 GDAA CN(C)c1cccc(CN(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)c1 431275095 PBYYLOWDFNKBMJ-UHFFFAOYSA-N 389.437 1.323 0 50 GDAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 154291855 KKHYPSBOJUWAOB-CQSZACIVSA-N 375.450 1.983 0 50 GDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)CCN1CCCCCC1=O)C2 72462702 HIGKVEHHNUAFLR-UHFFFAOYSA-N 376.457 1.425 0 50 GDAA Cc1ccncc1CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 455439172 LZCHWBRLFSCROA-CHWSQXEVSA-N 394.419 1.354 0 50 GDAA CCOC(=O)N1CCC(S(=O)(=O)N2CCC3(C2)Oc2ccccc2O3)CC1 377286962 BPRBKLHDPFMAPG-UHFFFAOYSA-N 396.465 1.811 0 50 GDAA CCc1cc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)ncn1 216227662 KTTNXTWHFBRLQJ-GOSISDBHSA-N 383.500 1.742 0 50 GDAA O=C(O)C1CCN(C(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)CC1 218528146 FMDMEJDRVFOGMY-UHFFFAOYSA-N 389.359 1.558 0 50 GDAA COc1ccc(N2CCN(S(=O)(=O)N3CCC(C)CC3)[C@@H](C)C2=O)cc1 72174648 BGFIAWXSGOXRGO-HNNXBMFYSA-N 381.498 1.709 0 50 GDAA Cc1nccn1-c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F 173792797 VBPPXFCLABZVLA-QGZVFWFLSA-N 387.459 1.936 0 50 GDAA Cc1c(CN2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc(C#N)n1C 72430145 CHEKXUMFSWYICX-NRFANRHFSA-N 377.448 1.181 0 50 GDAA CN1CCO[C@@H]2CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C[C@H]21 285152055 LCCMRAJXMVQDQR-ZIAGYGMSSA-N 388.299 1.915 0 50 GDAA CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)CC(F)(F)F)CC1 240412677 FNRVWNWEWGFEKR-GFCCVEGCSA-N 381.420 1.030 0 50 GDAA O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 231226004 RUEYEZADQJCKGV-UHFFFAOYSA-N 393.440 1.260 0 50 GDAA investigational COCCN1CCC[C@]2(CCN(CCS(=O)(=O)c3ccccc3)C2)C1=O 95381206 QGJFIAGFUWDMJM-LJQANCHMSA-N 380.510 1.421 0 50 GDAA CCn1cc(S(=O)(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cn1 92061522 YZQMYMBVIYOVHZ-GOSISDBHSA-N 380.514 1.706 0 50 GDAA Cc1ccccc1[C@H](C(=O)NC1CCN(C(=O)N2CCOCC2)CC1)N(C)C 95508334 LVVBEOWXSSZICG-LJQANCHMSA-N 388.512 1.631 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 95369168 WMVKWSHGWYPLIN-AWEZNQCLSA-N 388.420 1.272 0 50 GDAA O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95524685 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Cc1cccc(N2CCC(NS(=O)(=O)N3CCC(C(=O)O)CC3)CC2)c1 828479680 UFZMGLIXSFTQLB-UHFFFAOYSA-N 381.498 1.595 0 50 GDAA CCc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)Cn3ccccc3=O)C2)c1C 823484410 BVVXMNMGASKYGW-OAHLLOKOSA-N 385.468 1.111 0 50 GDAA NC(=O)[C@H](CC(=O)O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 958528038 NYCIDMRASSOCQA-SFHVURJKSA-N 397.431 1.443 0 50 GDAA Cc1noc(C)c1CCC(=O)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888090779 UQAWRVTXIRTVPJ-SJORKVTESA-N 384.480 1.621 0 50 GDAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1 952963607 JIFSOBQARJJUNW-CYBMUJFWSA-N 378.454 1.028 0 50 GDAA C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](Cc2ccccc2)C(=O)O)C1=O 268900744 DIMPXIUTJASRSH-ZBFHGGJFSA-N 382.416 1.860 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1 275270220 IZNSDCVLKQSWAI-IAQYHMDHSA-N 379.438 1.718 0 50 GDAA O=S(=O)(c1cccc2c1OCCO2)N1C[C@@H](CO)[C@H](c2ccsc2)C1 275370031 XDCSAOLPWKLVES-KBPBESRZSA-N 381.475 1.916 0 50 GDAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275631688 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O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cn(-c2ccccc2)nn1 828226768 UKIGGWOYNOIJOQ-JNKARSBBSA-N 390.451 1.732 0 50 GDAA CN(CCSc1ccccc1)C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 584902575 YWPSZFURKKYCLI-CQSZACIVSA-N 387.527 1.081 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N(C)C[C@H](C)N3CCOCC3)cc12 952982908 RQYGDLLTIKRYEJ-AWEZNQCLSA-N 379.482 1.590 0 50 GDAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@H]1C(=O)O 268966414 DDDPQMHDNYKKSW-KCJUWKMLSA-N 376.178 1.668 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1Cl 1506398285 JXPFDECSHSONBV-UHFFFAOYSA-N 387.933 1.749 0 50 GDAA OC[C@H]1OCCN(Cc2cnc(N3CCOCC3)s2)[C@@H]1c1ccccc1 1529090372 HPVDMZWJVKUROA-QZTJIDSGSA-N 375.494 1.914 0 50 GDAA Cc1cccc(N2CCC(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)CC2)c1 1529196917 JLGDKPJAIWIWET-QFBILLFUSA-N 381.542 1.148 0 50 GDAA COC[C@@H](O)CN(C)C(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704314928 YKQXGTIJSVMDMK-LBPRGKRZSA-N 381.404 1.635 0 50 GDAA CCC(=O)N[C@@]1(C)CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC[C@@H]1O 1704311460 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Cc1nonc1CC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857723239 ZEEHBNVAJAFJGS-HKUYNNGSSA-N 388.472 1.109 0 50 GDAA O=C(O)CN1C[C@@H]2[C@H](CNC(=O)CCc3ccccc3F)[C@H]3CC[C@]2(C1)O3 1857723532 KDTMKBAZGWWRLO-DKYLXPRQSA-N 376.428 1.439 0 50 GDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC([C@@H](O)CN2CCOCC2)CC1 1857723819 YGBGHKLUOIXHJN-FQEVSTJZSA-N 390.528 1.153 0 50 GDAA Cc1c(C(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)sc2[nH]cnc(=O)c12 1857737261 DEPHZQAEGRKXIZ-RWMBFGLXSA-N 376.482 1.521 0 50 GDAA O=C(O)CCCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 116343587 OSPMZEFEKKSFGO-UHFFFAOYSA-N 380.388 1.877 0 50 GDAA Cc1nn(C)cc1CNC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 15076552 OQKMOSLRLMLHCM-AIADIJKESA-N 381.480 1.249 0 50 GDAA Cn1cnnc1[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1Cl 907370149 CEIHGELBXHUOEA-SECBINFHSA-N 395.666 1.243 0 50 GDAA NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(C(F)(F)F)n2ccccc12 1875293018 ZPMQIAPNWUEGNY-LBPRGKRZSA-N 397.401 1.813 0 50 GDAA O=C(Nc1nnc2cnccn12)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 1875270317 CXUICUDJOJIRDS-ACJLOTCBSA-N 398.423 1.793 0 50 GDAA CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)CCc1c(C)nc2nc[nH]n2c1=O 1875264734 FAENCDKJSJEYGO-OAQYLSRUSA-N 397.479 1.848 0 50 GDAA C[C@H](CNC(=O)c1cnn(C)c1Cc1ccccc1)n1cc(C2(O)CCC2)nn1 1875358467 XHDNSRPZBXAQSW-OAHLLOKOSA-N 394.479 1.965 0 50 GDAA Cc1nc(C(N)=O)nc(N2CC[C@@H](NCc3ccc4c(c3)CCOC4)C2)c1C 1875397199 PMUWXUWBFJTDDM-GOSISDBHSA-N 381.480 1.634 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4ccc(C)cn34)C2)n1 1875397001 GYOJLXRYFPCOTM-MRXNPFEDSA-N 393.495 1.778 0 50 GDAA C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1)c1ccco1 1875319436 CESOZMARUHWBPZ-OLZOCXBDSA-N 383.408 1.803 0 50 GDAA CN1CCN(C(=O)c2cncc(N3CCC[C@@H](c4ccc(CO)cc4)C3)n2)CC1 1875328753 LBJGOBZVCFNXTK-LJQANCHMSA-N 395.507 1.741 0 50 GDAA CCOC(=O)[C@]1(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)CCCOC1 1875311925 DPGRNQMLYKDBQQ-BBRMVZONSA-N 375.343 1.967 0 50 GDAA Cc1cc(C(C)(C)C(=O)N2C[C@@H](O)[C@H](CC(N)=O)C2)ccc1Br 1875403005 OPTJHBOTAKTEAX-BXUZGUMPSA-N 383.286 1.730 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2coc3cc(F)ccc23)ncn1 1875401182 SJWIRSHOLMPKJW-ZIAGYGMSSA-N 399.426 1.798 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 824320 FRYIUUVADKNHRG-UHFFFAOYSA-N 392.433 1.887 0 50 GDAA O=C1COC2(CCN(C(=O)CCSc3ccc4c(c3)OCCO4)CC2)CN1 2356144349 SZLQHRXBKKCIKM-UHFFFAOYSA-N 392.477 1.448 0 50 GDAA COc1cc(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)c(=N)[nH]c1C 2356147887 VYTMXHMWWKKFDU-UHFFFAOYSA-N 392.481 1.099 0 50 GDAA Cc1nnc(CCNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)s1 2356154057 GROJFWDLBDFDLU-RCDCFZSISA-N 397.504 1.837 0 50 GDAA Cn1ncc2ncc(C(=O)N3CCc4nc(C5CCOCC5)nn4CC3)cc21 2356169285 OLAXGKOEEQQPOR-UHFFFAOYSA-N 381.440 1.152 0 50 GDAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CCN2CCOCC2)CC1 20854208 ACPROCWOYDNVPI-SFHVURJKSA-N 396.528 1.840 0 50 GDAA Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)c1 20485782 BORKOHUMSBKTEJ-IBGZPJMESA-N 382.464 1.827 0 50 GDAA C[C@H](NS(C)(=O)=O)c1nnc(-c2ccc(=O)n(-c3cccc(F)c3)c2)o1 1327307481 YVNDAFASFVCSAJ-JTQLQIEISA-N 378.385 1.637 0 50 GDAA CN1C(=O)C[C@H](C(=O)N2CCN(Cc3cccs3)CC2)[C@@H]1c1ccnn1C 330282489 VIRKYQORYIBGGE-MAUKXSAKSA-N 387.509 1.345 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1 32744828 MNFDJTXPAMSRKK-UHFFFAOYSA-N 394.541 1.439 0 50 GDAA CC(C)=CCN1CCN(C(=O)c2cc(C(C)C)no2)[C@H]2CS(=O)(=O)C[C@H]21 72463243 LXXKFBVAQDSNTJ-CVEARBPZSA-N 381.498 1.688 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 328645688 SHUUPVDXUXKZEO-APWZRJJASA-N 399.499 1.679 0 50 GDAA CC(=O)N1CCC(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)CC1 71735788 ZLWSVGLJLDQUPI-UHFFFAOYSA-N 383.496 1.810 0 50 GDAA CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 72437493 GJSUGIFDOCPVKG-UHFFFAOYSA-N 381.483 1.398 0 50 GDAA CN(C)c1nc2c(c(N(C)C)n1)CCN(S(=O)(=O)Cc1ccccc1)C2 72151816 GYYRARRBJBQHOV-UHFFFAOYSA-N 375.498 1.497 0 50 GDAA O=C(c1ccccn1)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 155786779 DXTGDTXLURRVSV-UHFFFAOYSA-N 380.448 1.637 0 50 GDAA CCc1nc(C)c(CC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c(=O)[nH]1 72463812 SGWBGIPFRUOHCW-OAHLLOKOSA-N 376.501 1.143 0 50 GDAA CCN(C(=O)NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 127628267 CJHCCYPCTIYZJN-CQSZACIVSA-N 380.445 1.730 0 50 GDAA COCC1(C(=O)N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)CCC1 72426418 FJHOAZXLVSTMOW-MRXNPFEDSA-N 375.517 1.934 0 50 GDAA COc1cccc(N2C[C@H](C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1 82156971 FDNNZSLMFZLCCY-LBPRGKRZSA-N 383.452 1.491 0 50 GDAA CCn1cnc2c(c1=O)CCN(C(=O)c1nn(-c3cccc(F)c3)cc1O)C2 286380168 CCXKLADCTUKGDZ-UHFFFAOYSA-N 383.383 1.492 0 50 GDAA COCCn1c(S)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17078153 RCALOOJVBQEQFI-CYBMUJFWSA-N 382.511 1.782 0 50 GDAA Cn1nnc(-c2ccc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)n1 223232407 MAIRIBSLSDPRLR-MRXNPFEDSA-N 381.392 1.068 0 50 GDAA Cc1cc(C)nc(CCNC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n1 426669152 RHUOQIAFYNOUPY-KRWDZBQOSA-N 382.468 1.521 0 50 GDAA COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cc1Br 237208270 JHPSEOGQWRTART-GXSJLCMTSA-N 393.303 1.872 0 50 GDAA O=C(NCc1ccccc1)N1CCC(Cn2cc(CN3CC[C@H](O)C3)nn2)CC1 23380294 ZJLUNGRUFMZTIJ-FQEVSTJZSA-N 398.511 1.467 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 239433769 YKVIGKIVSAKHGE-NVXWUHKLSA-N 396.509 1.781 0 50 GDAA Cc1nccn1Cc1nnc(C2CCN(c3ncnc4[nH]cnc34)CC2)n1C 96150594 ZSZYQYNKGXNWNS-UHFFFAOYSA-N 378.444 1.419 0 50 GDAA CCc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)s1 426697267 CLHBLITVTSTMOX-OAHLLOKOSA-N 387.509 1.416 0 50 GDAA O=C(c1cnc(Cn2cncn2)nc1O)N1CCC[C@H](OCc2cccnc2)C1 91664326 NLITWVMSOHLLPG-HNNXBMFYSA-N 395.423 1.038 0 50 GDAA COc1cc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)nc(N)n1 95362305 GBCYEVPQCHFOOA-AWEZNQCLSA-N 375.473 1.455 0 50 GDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)Cn1cnc3ccccc3c1=O)C2 95517726 SBYKCDMYMMEFMN-CQSZACIVSA-N 379.416 1.773 0 50 GDAA CSCc1nc(CNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)cs1 92107300 UULTZCAJLKGTTM-UHFFFAOYSA-N 376.463 1.992 0 50 GDAA Cc1ccc(CNC(=O)CCN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1 299774804 HWTZIMFCRKIMOS-IIZPIQPGSA-N 388.508 1.490 0 50 GDAA C[C@H](C(=O)NCc1ccc2nc(O)[nH]c2c1)N(c1ccccc1)S(C)(=O)=O 827631656 OHDHBVJULVNTDF-GFCCVEGCSA-N 388.449 1.739 0 50 GDAA O=C(CCc1ccncn1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 192348305 HPPZQYHGKJAHFE-INIZCTEOSA-N 392.456 1.518 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@H](O)CN(C)C)ccc1F 1704327378 CDCUIFKGYFGSOD-GFCCVEGCSA-N 380.420 1.208 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)n2)c1 1704339349 RHIZTAYMMCNLTE-RHSMWYFYSA-N 394.483 1.573 0 50 GDAA O=C(NCCCO)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 2115985 MIMJITNLPUQSAZ-LUAWRHEFSA-N 383.198 1.905 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2nsnc2c1 11718140 VQFWVBONHDKLJY-HNNXBMFYSA-N 375.498 1.544 0 50 GDAA Cc1nn2cc(CNC(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)nc2s1 11936175 BYFNHIGVYUWPGX-CQSZACIVSA-N 398.492 1.592 0 50 GDAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857719830 WKHJQOMMMHTPAZ-BMQTXXJKSA-N 382.464 1.060 0 50 GDAA 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CCn1cc(C(=O)N[C@]2(C)CCOC3(CCN(CC=C(C)C)CC3)[C@H]2O)cn1 1772700824 GAVUAOPJHGKRPL-VQTJNVASSA-N 390.528 1.974 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)c(OC)cc1Cl 1772708388 HRQPLKWLHXYQDG-GHMZBOCLSA-N 388.873 1.741 0 50 GDAA COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 11814343 LYOMBVGRHSJAIQ-HXUWFJFHSA-N 393.487 1.669 0 50 GDAA CN(C)CCN1C[C@H](C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)CCC1=O 11936004 YAFGEPLGABIIBM-CQSZACIVSA-N 389.475 1.503 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccc(C)cc4)c3)CCN2C1=O 14536614 LJJZIZPTBIVJQI-DBVUQKKJSA-N 395.507 1.738 0 50 GDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccccc3F)C[C@@H]12 14539498 JENOQCTWUDDCFF-IPELMVKDSA-N 383.423 1.332 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(OC)c(COC)c3)CCN2C1=O 14744072 FAYAHPWWRWMZIZ-YJLNNSPDSA-N 389.496 1.399 0 50 GDAA CN(CCOc1ccccc1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 19792736 JMTABGODMFUPAN-SFHVURJKSA-N 393.509 1.976 0 50 GDAA COCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 2990730 FMUABWKVBFRVCM-UHFFFAOYSA-N 392.477 1.962 0 50 GDAA CC[C@@]1(C(=O)N2CCN(C)CC2)C[C@@H]2CC[C@H]1N2C(=O)C1(COC)CCC1 1857672979 KTTCFALYMDNXGX-CSODHUTKSA-N 377.529 1.737 0 50 GDAA Cn1cc(CNC(=O)Cn2nc(CC3CC3)nc2[C@H](N)Cc2ccccc2)cn1 1857684613 VCSSPICQTBPBLC-GOSISDBHSA-N 393.495 1.523 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2c2cnn(C)c2)CC1 1857692188 RYULPDONHYIFPR-OALUTQOASA-N 387.484 1.233 0 50 GDAA O=C(CCc1ccc(O)nn1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857706230 LLQYJDIBOHZZDO-FVJLSDCUSA-N 394.431 1.416 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1O 1857719223 HEYMALHOAFOYFM-FPOVZHCZSA-N 375.513 1.424 0 50 GDAA C[C@H](O)CNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1cccc3c1CCC3=O)C2 1875247564 KLWQEYVJJGXOAD-DFFLPILJSA-N 399.491 1.039 0 50 GDAA O=C(NCCCO)c1cn([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)nn1 12453706 KCUYICIBHUEYFP-INIZCTEOSA-N 377.876 1.881 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCCN3CCCC3=O)C1)CC2 1704301310 UGVGWRAPAYZNKX-OAQYLSRUSA-N 385.512 1.752 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(c3nccc(-c4ccccc4)n3)CC2)NC(=O)N1 952893476 MQZNQKVFVMHJRL-INIZCTEOSA-N 379.420 1.448 0 50 GDAA O=C(Nc1ccc(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)cn1)[C@H]1CCOC1 952852433 UPZODOAOGJWPKQ-ZWKOTPCHSA-N 387.480 1.874 0 50 GDAA O=C(O)C[C@@H](Cc1cn(Cc2cccs2)nn1)NC(=O)c1cncs1 1875324920 NZRBNVYSIOBOOV-SNVBAGLBSA-N 377.451 1.660 0 50 GDAA COc1ccc(C)nc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875399647 GJAFTVGRBOYMQT-MRXNPFEDSA-N 398.511 1.876 0 50 GDAA Cc1cc2occ(CC(=O)N3CC4(C3)[C@@H](C(=O)O)CCS4(=O)=O)c2cc1C 1875394136 YUKRFCZDGMKHOO-OAHLLOKOSA-N 391.445 1.692 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](c3ncc[nH]3)C3CC3)C2)c1C 1875397941 UTKZZMLTPDHYQJ-HZPDHXFCSA-N 383.500 1.838 0 50 GDAA Cc1ccc(C(C)(C)NC(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cn1 1875393134 HHCHPXGCTTXZOW-INIZCTEOSA-N 391.497 1.034 0 50 GDAA O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@]2(c3ccccc3)[C@@H](C1)C2(F)F 888101424 URNFLRMAZZQKDA-LHHMISFZSA-N 389.406 1.836 0 50 GDAA O=C(c1ccc(Cl)c(NC(=O)N2CC[C@@H]3CNC[C@@H]32)c1)N1CCOCC1 1073286312 ZZIPYNSWAZYGMI-CJNGLKHVSA-N 378.860 1.638 0 50 GDAA N=c1nc(N2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)cc[nH]1 2100534026 PYQIQRJMTIHBMB-QGZVFWFLSA-N 396.495 1.286 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnccn3)OCC(=O)N2C2CC2)cc1 2100556895 UWOLJUVGLWCUQG-UXHICEINSA-N 396.447 1.275 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C)[nH]n2)C[C@H]1NC(=O)c1ncc[nH]1 2100557298 ZJEYCEMUYIMLJP-NUEKZKHPSA-N 388.472 1.451 0 50 GDAA Cc1noc([C@H]2CN(C3CN(C(=O)c4cc5n(n4)[C@@H](C)CCC5)C3)CCO2)n1 2325792451 FCJHWGKLRDLORC-YVEFUNNKSA-N 386.456 1.370 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)N1C[C@H]2CCC[C@H]2C1 2325865036 KHVWIKJQXQUZOT-OKILXGFUSA-N 387.527 1.634 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CC[C@@]4(CCCN(CC5CC5)C4=O)C3)c(=O)n2n1 102443903 XSFCJMYBAQPEMU-FQEVSTJZSA-N 383.452 1.196 0 50 GDAA O=C(c1cncnc1)N1CCC(Cc2nnc(CO)n2-c2ccccc2)CC1 55060733 OOBLGPJNPQTMJE-UHFFFAOYSA-N 378.436 1.645 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H](c4ccsc4)[C@@H](CO)C3)cc2[nH]1 249476318 UJAXUWZPLPETCT-DGCLKSJQSA-N 379.463 1.314 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)o1 12314078 AJAJOGBWLNEQHB-KRWDZBQOSA-N 399.447 1.463 0 50 GDAA CC(C)c1nc(CN2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)no1 328603149 FDLGNUFZTNWNJD-HNNXBMFYSA-N 388.472 1.423 0 50 GDAA O=S(=O)(c1cccc2c1OCCO2)N1C[C@H](CO)[C@H](c2ccsc2)C1 328614876 XDCSAOLPWKLVES-KGLIPLIRSA-N 381.475 1.916 0 50 GDAA O=C(O)[C@H]1c2[nH]cnc2CCN1Cc1cccc(OCCN2CCOCC2)c1 72463419 CADHHKUHJRZVAT-LJQANCHMSA-N 386.452 1.305 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)no1 71748490 ZTXHMZROAZYMFE-SFHVURJKSA-N 398.511 1.766 0 50 GDAA COc1cc(CN2CC[C@@H](NC(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)cc(OC)c1 253405203 ISUKCXOOFMRHPX-CYBMUJFWSA-N 397.435 1.273 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3ncnc4c3CCC4)CC2)C1 71762123 HIZLGOVNKVFINN-INIZCTEOSA-N 387.528 1.409 0 50 GDAA COc1ccc(-c2noc(CCC(=O)N3CCOC[C@@H]3c3nc(C)no3)n2)cc1 363829953 URAQAPFFYYJDFQ-OAHLLOKOSA-N 399.407 1.969 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C(=O)NC(C)C)C2)CC1 72147453 FAZAGXKSZVEPQL-KRWDZBQOSA-N 388.512 1.333 0 50 GDAA CN(Cc1cnc2ccccc2c1)C(=O)c1cn(CCN2CCNCC2)nn1 77322217 XKVKAZMAIHZKPA-UHFFFAOYSA-N 379.468 1.004 0 50 GDAA CO[C@H](C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 262792125 KWGIWNYCYXWOQV-QWHCGFSZSA-N 398.481 1.325 0 50 GDAA CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)ncn1 263348002 PBFMKRHBYYZKOT-HZSPNIEDSA-N 376.461 1.239 0 50 GDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC2CCN(C[C@H](C)O)CC2)[nH]n1 176455947 OHRDKWLJPFZOPI-ZDUSSCGKSA-N 388.516 1.592 0 50 GDAA CC(C)c1ccc(OCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1 426739083 PUMCRXUJCMAOAY-HNNXBMFYSA-N 386.452 1.262 0 50 GDAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCCc2cccc(O)n2)c1 426549044 BUEWBLYSZDHEHU-ZDUSSCGKSA-N 384.465 1.911 0 50 GDAA C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(N)n[nH]1 426723839 HAVOUNBGHMLNNT-VIFPVBQESA-N 383.378 1.895 0 50 GDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cccc(-n3cccn3)c2)C1 426534134 XHOORPJLCZNFJA-INIZCTEOSA-N 376.482 1.839 0 50 GDAA Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)ccc1=O 92028191 YERGXHRPMYOBGM-MAUKXSAKSA-N 378.476 1.484 0 50 GDAA NS(=O)(=O)c1ccc(CCNC(=O)CCc2n[nH]c3c2CCCC3)cc1 97288890 BLEGFPSPRGRABU-UHFFFAOYSA-N 376.482 1.227 0 50 GDAA CN(C)CCCn1ccnc1C1CCN(C(=O)CCN2CCCC2=O)CC1 95389061 OMVAZJDKZPTIML-UHFFFAOYSA-N 375.517 1.553 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)N1CCN(C)CC1)C2 95519767 NBHVKDNFZIZCLY-JKSUJKDBSA-N 375.473 1.082 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2ncnc3[nH]cnc23)CC1 96180884 KWPNEMHMPFRFHV-UHFFFAOYSA-N 378.444 1.593 0 50 GDAA NC(=O)NCc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 180024093 OHLMXZBEKZWHOK-QGZVFWFLSA-N 380.448 1.633 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCCNC3=O)C2)cc1 91665479 WAKRVKVGPPVULL-GOSISDBHSA-N 379.482 1.117 0 50 GDAA O=C(NC1CCCC1)c1cccc(S(=O)(=O)NCCCn2ccnn2)c1 95363314 PVKISRZZYFLSTL-UHFFFAOYSA-N 377.470 1.319 0 50 GDAA COc1ccccc1N1CC[C@H](CNC(=O)NCCNC(=O)c2cccnc2)C1 299580318 OLMLXLAPCMHQLW-MRXNPFEDSA-N 397.479 1.646 0 50 GDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1c(O)nc2ccccc2c1=O 253623841 PXHCBHLTSADOAB-MAUKXSAKSA-N 384.480 1.825 0 50 GDAA biogenic Cn1cc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1C(=O)O 185099394 USJMWRHDWDYZJZ-JTQLQIEISA-N 385.392 1.559 0 50 GDAA COC(=O)c1cn(Cc2nc(-c3ccc(F)cc3F)no2)cc2c(=O)[nH]nc1-2 263588681 XAZLOCAQUNGYAC-UHFFFAOYSA-N 387.302 1.839 0 50 GDAA O=C(Nc1cccc(Cn2cncn2)c1)N1CCCN(c2ncccn2)CC1 299796638 RPKCGZOXISHIRE-UHFFFAOYSA-N 378.440 1.861 0 50 GDAA O=C(Cc1ccccc1)N[C@H]1C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1O 1940197723 LWCJZRPZINCUIF-VDGAXYAQSA-N 392.459 1.678 0 50 GDAA Cc1cncc(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc4nn[nH]c4c3)C2)c1 825249870 MKDUKFMZYCMJIB-AWEZNQCLSA-N 378.436 1.944 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cn1 952964419 QDDFKVLMXGHOET-OAHLLOKOSA-N 385.468 1.405 0 50 GDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc2nc[nH]c2c1 952990306 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CCOC(=O)CCN1C(=O)CC[C@H]1CCNCc1ccc(C(=O)OC)cc1 12157804 DNKLITRQGSMMSX-KRWDZBQOSA-N 376.453 1.897 0 50 GDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3cccc(Cl)c3)C[C@H]12 14748993 FIFDAYHCLIZULS-RTBURBONSA-N 399.878 1.800 0 50 GDAA O=C(NCCN1CCC[C@@H](O)C1)c1coc(CN2CCc3ccccc3C2)n1 15074644 BNVMFTYOEDKTML-GOSISDBHSA-N 384.480 1.419 0 50 GDAA CN1CCn2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cc2C1=O 1857679639 ZYNNVYIBULTYDB-UHFFFAOYSA-N 393.491 1.284 0 50 GDAA O=C(CCCn1cccn1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857695646 SCEZSEVAWFYTOK-OALUTQOASA-N 382.464 1.692 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccnc4ccccc34)C[C@@H]12)C1CC1 1857702297 HOCSWCBJAFQULH-UHOSZYNNSA-N 385.489 1.358 0 50 GDAA COc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)c2ccccc2n1 205883941 MBTHKXPNZLHQCS-OALUTQOASA-N 384.480 1.066 0 50 GDAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 868353172 GMDVKDXMLAVXGR-ZWKOTPCHSA-N 387.480 1.815 0 50 GDAA Cc1ccc(C[C@H]2CNC(=O)N(Cc3cn(C4CC4)c(=O)nc3O)C2=O)cc1 1875289984 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389.499 1.011 0 50 GDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)c(OC)c1 14979968 WEDDYJRBSYBTPV-SFHVURJKSA-N 389.496 1.496 0 50 GDAA CC1CCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 16579596 RNTHAAZHIKGAJX-CQSZACIVSA-N 382.482 1.871 0 50 GDAA O=C(COc1ccc(Br)cc1Cl)NCCN1CCOCC1 19867897 QGLLGNSXNMGMHD-UHFFFAOYSA-N 377.666 1.930 0 50 GDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4)c2=O)CCCC3)no1 169763908 NYCKKHDBDZVJAA-UHFFFAOYSA-N 381.392 1.343 0 50 GDAA COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3383405 JKQFLOHEKCGASC-UHFFFAOYSA-N 390.461 1.607 0 50 GDAA Cc1sccc1C(=O)NC[C@@]12CCC[C@@H]1CN(c1ccc3nnnn3n1)C2 1857527239 QHVFQMWZLYALAV-FZKQIMNGSA-N 383.481 1.926 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cc(-c4ccccc4)no3)C[C@H]2CO1 1857708567 AOLISYUGGRRHAU-ULQDDVLXSA-N 398.463 1.391 0 50 GDAA CC1CCN(C(=O)COc2ccccc2CN2CC[C@H](CO)[C@H](O)C2)CC1 1857710422 WNWXGYONTVVNAX-RTBURBONSA-N 376.497 1.499 0 50 GDAA Cc1nc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)cs1 1857712399 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COc1ccc(NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)c(OC)c1 67867319 WDGULWVMTCISAJ-UHFFFAOYSA-N 398.462 1.910 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 328650176 VJBMCGNODIZXKP-ZOBUZTSGSA-N 397.545 1.786 0 50 GDAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(N)=O)c1C 253431558 SGPILOPAPOSMNN-CQSZACIVSA-N 393.440 1.879 0 50 GDAA C[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)N1CCN(C)CC1 363117969 OYHIGKAYCRJZDI-QUCCMNQESA-N 386.540 1.220 0 50 GDAA CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(Br)cc2)CC1 32594118 GOFQTEWOYCUWGV-ZDUSSCGKSA-N 390.347 1.753 0 50 GDAA Cc1c(NS(=O)(=O)c2cn(CC(C)C)cn2)cccc1-n1cnnc1O 367943659 PIHUETRJIVQXCD-UHFFFAOYSA-N 376.442 1.935 0 50 GDAA Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H]3CN)ccc2n1[C@@H]1CCS(=O)(=O)C1 157613002 NVGYXCOKMBFMSX-BZUAXINKSA-N 390.509 1.562 0 50 GDAA COc1ccc(-n2cc(CNC(=O)[C@@H](Cc3ccccc3)NC(N)=O)nn2)cc1 378084138 CMYVSYWDZARDCQ-GOSISDBHSA-N 394.435 1.172 0 50 GDAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCCS(N)(=O)=O)C2)cc1F 72146429 DVYZVABPUVLPIY-CYBMUJFWSA-N 386.445 1.324 0 50 GDAA COc1ccc([C@H]2OCC[C@@H]2NCc2cnc(N3CCN(C)CC3)nc2)cn1 284735482 MNYHOLIKFOWOCW-PKOBYXMFSA-N 384.484 1.252 0 50 GDAA O=C(Cc1cn2ccsc2n1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 131296167 JRBYMYPTJVLREI-OAHLLOKOSA-N 384.461 1.734 0 50 GDAA CCCC(=O)N1CSC[C@H]1C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 263220700 QPQVTGBDBKTGHV-AWEZNQCLSA-N 380.470 1.446 0 50 GDAA CCCNc1ncc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)cn1 82096785 CQEXEWBOAZSFOY-MRXNPFEDSA-N 375.473 1.586 0 50 GDAA CCOc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1C 222925280 HLMCARVOQKORMC-RWKZGTHUSA-N 379.482 1.918 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CCn2ccnc2C)CC1 96160927 ZERNPQLGXIZYSA-UHFFFAOYSA-N 396.499 1.844 0 50 GDAA O=C(c1ccccc1-n1cccn1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95364170 OWMSTKFKCGXQCA-RTBURBONSA-N 398.507 1.257 0 50 GDAA COC(=O)N1CCN(C(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)CC1 95529213 BEXVAATWVSRFKI-UHFFFAOYSA-N 375.385 1.970 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccc(C)c1)CC2 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C/C=C(\CC)CN1CCN(C(=O)c2c(C)noc2C)[C@H]2CS(=O)(=O)C[C@H]21 1565514730 RSWDFRBFSCMFLG-HFWZVKQJSA-N 381.498 1.571 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)CCc3ccc(O)cc3)[C@@H](O)C2)cs1 1565508263 ZLWQVNUGPIJTEC-ROUUACIJSA-N 375.494 1.841 0 50 GDAA COCCN1CC[C@H](C(=O)N2CCC(CNC(=O)c3ccccc3F)CC2)C1 952989360 CVJYKBAMEFVTDX-KRWDZBQOSA-N 391.487 1.762 0 50 GDAA CC(=O)c1cc(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n(C)c1 952976277 JZFJJPXJZSLCRT-UTCTYZAISA-N 378.520 1.885 0 50 GDAA CCn1nccc1S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCCCO2)C(=O)O 277237876 KFNAEZGPQAUJFJ-ZDUSSCGKSA-N 395.437 1.039 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)N3CCC(C)(C)S(=O)(=O)CC3)CC2=O)cc1 192850911 BSSFYCSPQTVYDJ-QGZVFWFLSA-N 392.521 1.769 0 50 GDAA CN(C)Cc1nc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cs1 209951002 LHBUDLPDLRFZOO-HIFRSBDPSA-N 389.477 1.924 0 50 GDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C2 1529196372 YNYQFJHUZCBGMJ-MSOLQXFVSA-N 380.448 1.873 0 50 GDAA CN1CCN(CCCOc2ccccc2CN2C[C@@H]3CNC(=O)C[C@@H]3C2)CC1 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COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1cccnc1)CO2 71759016 JCCNILDFMVDWCT-INIZCTEOSA-N 384.436 1.684 0 50 GDAA CCO[C@H]1C[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C12CCOCC2 368659252 MXENGMNECGXHDI-RYUDHWBXSA-N 382.379 1.755 0 50 GDAA COc1cccc2c1OC[C@@H](NC(=O)NC1CCN(c3cccnn3)CC1)C2 373795752 PZBFAAWECYVKPR-INIZCTEOSA-N 383.452 1.757 0 50 GDAA C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 130968168 FQYNDKMZPPZCOA-KRWDZBQOSA-N 381.480 1.832 0 50 GDAA COCCN1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1=O 240897259 IRPFQVRBJQRTBD-IBGZPJMESA-N 388.512 1.541 0 50 GDAA CN(Cc1nnn(CC(=O)N2CCCc3ccccc32)n1)C(=O)c1ccccc1 133186164 DMYUBROZJCSBQB-UHFFFAOYSA-N 390.447 1.925 0 50 GDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(F)c(F)c1)C2 220414348 JMQWEKAOIJXEKN-INIZCTEOSA-N 378.379 1.329 0 50 GDAA CCNC(=O)CCCC(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 175753972 UIPMGZSNTRQNJD-UHFFFAOYSA-N 379.505 1.708 0 50 GDAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)Cc1c[nH]c2ccccc12 426412372 KIRPSIMRWUDWBW-OAHLLOKOSA-N 379.464 2.575 0 50 GDAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 95513299 ZDUCBEUETOQYAQ-AWEZNQCLSA-N 399.488 1.423 0 50 GDAA Cc1nc(CCNC(=O)c2cc3ncc(CCO)cn3n2)nc2c1CCCC2 426487971 JASWUPLKLPHZNB-UHFFFAOYSA-N 380.452 1.214 0 50 GDAA OC1CCN(c2ccnc(N3CCN(CCOc4ccccc4)CC3)n2)CC1 96179840 VARMDWZMQHMHNS-UHFFFAOYSA-N 383.496 1.639 0 50 GDAA CNC(=O)[C@@H]1CN(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)CCO1 180238597 SYKWOHICUCHTLG-INIZCTEOSA-N 388.493 1.428 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)COc3cccnc3)CC2)CC1 95527678 WGPYSOXCWANQOH-UHFFFAOYSA-N 388.512 1.643 0 50 GDAA Cc1ccc(CCNS(=O)(=O)c2cccc(C(=O)N3CCNCC3)c2)o1 97370424 HIJAHOIBATYCMY-UHFFFAOYSA-N 377.466 1.154 0 50 GDAA CC(C)Cn1ccc2c(OCC(=O)NCCS(=O)(=O)N(C)C)cccc21 252498967 RRYRWSFRWASDAP-UHFFFAOYSA-N 381.498 1.684 0 50 GDAA CCC[C@H]1CC[C@H](C(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 534592820 GPQXMRHRYIDXKI-SHTZXODSSA-N 382.530 1.881 0 50 GDAA Cc1ccn(CCC(=O)N2CCC3(CC2)CN(C(=O)c2ccc[nH]2)CCO3)n1 827921349 PCFHVMHWIRNVRM-UHFFFAOYSA-N 385.468 1.444 0 50 GDAA CC(C)c1nnsc1CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 584892145 NUUQOWDJTIBAGF-ZDUSSCGKSA-N 381.502 1.442 0 50 GDAA Cc1oncc1S(=O)(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565528727 WEWDKBWOFLIJJD-KGLIPLIRSA-N 376.438 1.303 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1NS(C)(=O)=O 1565516742 IHKOLCSNTHEKEQ-KGLIPLIRSA-N 378.450 1.439 0 50 GDAA O=C(COc1cccc(Cl)c1)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565529256 JNEWHIQTNLAKCN-ROUUACIJSA-N 375.856 1.865 0 50 GDAA Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCOC[C@H]2C(N)=O)c1 271419092 QSFPVQBKDPVRTK-SFHVURJKSA-N 396.447 1.372 0 50 GDAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1=O 275367123 WQPNQRIYWOFGLP-LLVKDONJSA-N 398.876 1.008 0 50 GDAA CC(=O)N1CCc2c(ncn(CC(=O)N[C@H](C)c3ccc(Cl)cc3)c2=O)C1 275528920 LRZDIIQPVWOPKY-GFCCVEGCSA-N 388.855 1.679 0 50 GDAA CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(OC)cc1 170624332 QWENWUYWXSOTJE-UHFFFAOYSA-N 399.451 1.917 0 50 GDAA Cc1nc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc2c1CCCC2 1529159538 RSHNMOCQULZOLF-UHFFFAOYSA-N 393.557 1.907 0 50 GDAA COCCN1CCC[C@H](C(=O)N2CCCN(C(=O)Cc3ccncc3)CC2)C1 1772703335 HUWXURZPDJIDKI-IBGZPJMESA-N 388.512 1.043 0 50 GDAA Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772807107 JANBDIVJTPLRJG-CYBMUJFWSA-N 375.498 1.741 0 50 GDAA CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 12055751 PQKPCDBLAXMXSM-AWEZNQCLSA-N 376.409 1.973 0 50 GDAA COc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)cc1 14537082 BZKJNIUFJAPQIC-WDSOQIARSA-N 399.491 1.863 0 50 GDAA Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N2C1 14732634 ALMZUSINWJKCOO-QEJZJMRPSA-N 378.860 1.894 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccc2)c(F)c1 14974384 YWPITIJWOFPWJJ-LJQANCHMSA-N 385.439 1.841 0 50 GDAA CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1 1248515 FZNYUJJGMKDLGS-YBEGLDIGSA-N 383.429 1.563 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1 6140676 QEABLSWFTFQMML-UHFFFAOYSA-N 389.477 1.951 0 50 GDAA O=C1C[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)Cc3ccccc3)C[C@H]2N1 1857671555 VIIYWRYJYPWCPA-DOTOQJQBSA-N 384.457 1.621 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCOCC4)CC3=O)sc2c1 1857695769 WZGMDVSIVJYMKR-LBPRGKRZSA-N 375.450 1.907 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(c3ncccc3Cl)C[C@]23CC[C@H]1O3)c1cnccn1 1857725832 OVNNQTDATXBGGL-HAELCTKSSA-N 385.855 1.939 0 50 GDAA O=C(NCCc1cc[nH]n1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857738972 HDEVIOJXHNTLPK-CQSZACIVSA-N 396.476 1.564 0 50 GDAA COc1cc(OC)c(S(=O)(=O)NC[C@H]2CCCCN2)cc1Br 237208081 GFNJZQOOWNFZPE-SNVBAGLBSA-N 393.303 1.887 0 50 GDAA COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H](C)CC(=O)O)C(C)C)c1 262120341 GPGVROPBGJKRCX-SJCJKPOMSA-N 380.441 1.685 0 50 GDAA COCCn1nc2c(c1C(=O)N1CCc3cc[nH]c(=N)c3C1)C[C@H](C)O[C@@H]2C 1875315931 NNUFCKFHMQEPPQ-QWHCGFSZSA-N 385.468 1.558 0 50 GDAA COC(=O)c1nccc(N2CC[C@](C)(NC(=O)[C@H](OC)c3ccccc3)C2)n1 1875312355 LRPQCIZPNNPQPR-UZLBHIALSA-N 384.436 1.736 0 50 GDAA Cc1nc(C(=O)N2CCc3nccnc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404185 YPLSULXLUOKOFV-OAHLLOKOSA-N 381.484 1.222 0 50 GDAA NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1059563 MWPVDOBHYKSOAI-KRWDZBQOSA-N 387.461 1.188 0 50 GDAA Cc1cc(F)c(Br)cc1C(=O)Nc1c[nH]nc1C(=O)NCC(N)=O 2325840877 VKPKWNNILQDVRD-UHFFFAOYSA-N 398.192 1.087 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCc2ccncc2)CC[C@@H]1NS(C)(=O)=O 2356166170 PWZLCCLQNWSDDR-ULQDDVLXSA-N 383.514 1.253 0 50 GDAA O=C1NCCN2CCN(C(=O)c3ccc(-c4nccc5ncccc45)cc3)C[C@H]12 2356168272 WZEAMDFTRARECA-LJQANCHMSA-N 387.443 1.553 0 50 GDAA O=C(c1ccc(N2CCC[C@@H](CO)C2)nc1)N1CCC(N2CCOCC2)CC1 67695244 FVEJSRSWDBJCKO-QGZVFWFLSA-N 388.512 1.227 0 50 GDAA CC(C)C(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 72470299 DMYBTUXNJAOLEZ-CABCVRRESA-N 384.885 1.446 0 50 GDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2 77455821 VPZWHZHVCZRJGF-NYUBLWNDSA-N 394.431 1.053 0 50 GDAA Cc1nc[nH]c1CN1CCN(C(=O)C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 72473566 IWWAFWCWILIVGV-MSOLQXFVSA-N 394.541 1.498 0 50 GDAA CN1CCN(c2ncc(CNC[C@](C)(O)c3ccccc3Cl)cn2)CC1 156710498 IUFNAILLESPETI-IBGZPJMESA-N 375.904 1.879 0 50 GDAA O=C(NCCc1c[nH]cn1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71758887 OXBSOMABXNHGRA-LJQANCHMSA-N 396.539 1.840 0 50 GDAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 283992006 MBNDKVVFXZUWEP-KGLIPLIRSA-N 388.873 1.440 0 50 GDAA CCCn1cc(NC(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cn1 174147937 VYZZHLSGFVYKLT-SFHVURJKSA-N 378.521 1.552 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccn3)no2)cc1 223296888 PBZYJPBYVKURPG-UHFFFAOYSA-N 387.421 1.823 0 50 GDAA Cn1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C(=O)O 237705651 SURUMLCEJSDFML-CQSZACIVSA-N 383.495 1.900 0 50 GDAA Cc1cccc(-c2noc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)c1 41152740 MMEIMZSPEXMHQX-UHFFFAOYSA-N 378.454 1.333 0 50 GDAA COc1ccccc1N1CCN(C(=O)CC[C@H](C)N2CCOCC2)CC1=O 82097329 DRKGBBZZZLWCPB-INIZCTEOSA-N 375.469 1.371 0 50 GDAA CC(=O)NCCNC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cn2)cc1 426405200 WOCXUYKJBWQVNH-UHFFFAOYSA-N 380.448 1.851 0 50 GDAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)n[nH]c1C 20614386 JCQAXMLBYYWFFR-UHFFFAOYSA-N 376.280 1.826 0 50 GDAA Cc1ccc(OC2CCN(C(=O)NCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 426737375 ITJRJSVUHCPRFK-KRWDZBQOSA-N 388.512 1.745 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@H](C)n3ccnc3C)CC2)CC1 95523937 FSEAOGOAPBXGCU-KRWDZBQOSA-N 389.544 1.935 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCN(c3nc[nH]n3)CC2)n1 426633847 IBSRRTNMTSBSMT-UHFFFAOYSA-N 383.412 1.145 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cn(C)nc1-c1ccccc1)CC2 95384935 LSNBEZMEYSYGAV-QGZVFWFLSA-N 382.464 1.985 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1cc(F)cc(F)c1F)C2 91321185 NDVHCUWUJNJLDK-UHFFFAOYSA-N 382.386 1.969 0 50 GDAA CCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cnc(O)[nH]c2=O)C1 95522331 AIGVSVWVXGUGGU-GFCCVEGCSA-N 381.458 1.040 0 50 GDAA COCCN1C[C@@H]2CN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@]2(C(=O)O)C1 96150295 SSCVDOMSNURLCO-QVKFZJNVSA-N 387.480 1.950 0 50 GDAA O=C(NC1CC1)c1cccc(S(=O)(=O)NCCc2nc(C3CC3)no2)c1 95367787 SWSFSOUKQJRGPQ-UHFFFAOYSA-N 376.438 1.360 0 50 GDAA Cn1cc([C@@H](NS(=O)(=O)c2cccc3nsnc23)[C@H]2C[C@@H](O)C2)cn1 243892649 AJVVEUMDUGFDHK-PXWWUCIGSA-N 379.467 1.215 0 50 GDAA CC(=O)Nc1ccc(CNC(=O)CN2CCC3(CC2)OCCC[C@H]3O)cc1 244758146 OTDPJOVDHUIQGW-GOSISDBHSA-N 375.469 1.267 0 50 GDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N3CCCC3)N=C2O)cc1OC 252537600 LSDVDWWYBZWIGD-OAHLLOKOSA-N 389.452 1.774 0 50 GDAA Cc1cc(C)c(N2C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)c(C)c1 299749800 LPLORAIEVUGPFS-MRXNPFEDSA-N 375.469 1.440 0 50 GDAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4c(C)nn(C)c4C)c3CO2)cc1 263616647 JXPUAADHGKKBDU-GOSISDBHSA-N 396.451 1.839 0 50 GDAA O=C(c1ccccc1OC(F)F)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299796537 QZYXRDKGURSINN-WGDDSDEBSA-N 383.391 1.917 0 50 GDAA CN1C[C@@H](NC(=O)c2ccc(OCCCN)cc2)c2sccc2S1(=O)=O 299778440 POXORNIHYMZHEB-CQSZACIVSA-N 395.506 1.581 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 824371085 UWKOABZVUIHAOJ-GOSISDBHSA-N 395.525 1.545 0 50 GDAA Cc1cnccc1N1CCCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 584886339 QWJZXIHSXNSIQE-UHFFFAOYSA-N 383.378 1.949 0 50 GDAA Cc1noc(C)c1C(=O)NC[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 952970173 JQARQTVEWDTZMB-OAHLLOKOSA-N 381.440 1.914 0 50 GDAA CCn1nccc1S(=O)(=O)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565508589 PMWAIBFVTIEGGJ-GUYCJALGSA-N 377.422 1.155 0 50 GDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc2nc(O)oc2c1 952975018 BTWLRPAAVKWCMK-GFCCVEGCSA-N 393.465 1.945 0 50 GDAA O=C(N[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@H]1CCCNC1 170676356 AODXHUXUPPIWLL-WFASDCNBSA-N 395.301 1.565 0 50 GDAA O=C(O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 1506416429 GORGLDLJFKORQZ-OAHLLOKOSA-N 380.466 1.941 0 50 GDAA O=C(CCC(=O)N1CCCN(C(=O)c2ccco2)CC1)Nc1nncs1 1506425106 CNPATOSRQBIQHY-UHFFFAOYSA-N 377.426 1.225 0 50 GDAA CNc1ncccc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529100146 OCPCDIJAKAMRGI-QZTJIDSGSA-N 387.436 1.715 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3cccc(F)c3F)C[C@H]12 14535340 PTGMPFBJZSGLAM-IAGOWNOFSA-N 399.397 1.359 0 50 GDAA O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 15078424 FSMOUNUJUJQJCP-QGZVFWFLSA-N 377.460 1.403 0 50 GDAA COCCS(=O)(=O)c1ncc(CN2CCSCC2)n1Cc1ccccc1 19773257 LFDYOADVLQUNQQ-UHFFFAOYSA-N 395.550 1.900 0 50 GDAA CCOCC(=O)N1CCC[C@]2(C1)CN(c1ccc(C(C)C)nn1)CC[C@H]2O 1857691437 LGIKPDCAGXFJGX-YLJYHZDGSA-N 376.501 1.816 0 50 GDAA COC(=O)CCCC(=O)N1CCC[C@@]2(CCc3c(O)nc(N(C)C)nc32)C1 1857701834 QXNDHDXLNYJDMX-LJQANCHMSA-N 376.457 1.398 0 50 GDAA Cc1nc2ccccc2nc1-c1nccn1C[C@@H]1CN(S(C)(=O)=O)CCO1 1857704125 FDGJCDIGMJRNBB-CQSZACIVSA-N 387.465 1.462 0 50 GDAA CN(C)c1nc2c(c(N3C[C@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)n1)CCCC2 1857726944 IJNFVPVIWGZBQK-RKCFAAOBSA-N 394.519 1.995 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)Cn2ncc3ccccc32)[C@H]1c1cnn(C)c1 1857737582 TXHSVDNWOUSSNW-ICSRJNTNSA-N 382.468 1.300 0 50 GDAA CC[C@]1(C(=O)N2CCC(S(N)(=O)=O)CC2)C[C@H]2CC[C@@H]1N2C1CCOCC1 1857738973 HDFGRLZHXNIVBV-AYBZRNKSSA-N 399.557 1.078 0 50 GDAA NC(=O)c1cccnc1N1CCN(CCc2nc(-c3ccccc3)no2)CC1 114208460 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WMILSIUEACSHPQ-NSHDSACASA-N 377.401 1.520 0 50 GDAA CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](Sc2ccccn2)[C@@H]1OC(C)=O 245257207 XBKOQNIEZLQWIR-NDDVDTFZSA-N 383.422 1.714 0 50 GDAA biogenic COC(=O)[C@H](NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O)C(C)C 252497816 QRHBPIMNXOYXGA-GOSISDBHSA-N 391.399 1.372 0 50 GDAA CCOc1ncccc1C(=O)N1CCOC2(CCN(Cc3cnc[nH]3)CC2)C1 823405574 FZRMZBGYFAPJQD-UHFFFAOYSA-N 385.468 1.711 0 50 GDAA C[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1nnc(N)s1 670452735 PFIAYGNKEDJKEG-ZDUSSCGKSA-N 376.486 1.588 0 50 GDAA O=C(Nc1cccc(N2CCC2=O)c1)C(=O)N[C@@H](CO)CCc1ccccc1 1337011853 GREYBUVXSDHSCC-QGZVFWFLSA-N 381.432 1.472 0 50 GDAA CN1CCO[C@H](C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)C1 170602548 JVUCMILLDNDARB-KRWDZBQOSA-N 375.469 1.884 0 50 GDAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 170603290 JJTRTWAHHDRQKI-RLLQIKCJSA-N 383.492 1.823 0 50 GDAA CC(=O)NC1(c2noc(CCC(=O)N3CC[C@H](C(=O)O)C3)n2)CCCCCC1 269193947 PCXNFUHQEKCDEE-AWEZNQCLSA-N 392.456 1.621 0 50 GDAA CC(C)(C)c1cnc(CCC(=O)NCCS(=O)(=O)N2CCSCC2)o1 170600246 PUZMTRMXUMEVJR-UHFFFAOYSA-N 389.543 1.400 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 275710059 OANFHZXFHNPUQH-NSHDSACASA-N 389.221 1.446 0 50 GDAA CCC[C@@H](C)C(=O)N1CC2(CCOCC2)C[C@H]1CNC(=O)C(C)(C)C(N)=O 1775997426 HFSXDQORWLHGHW-CABCVRRESA-N 381.517 1.448 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](CO)Cc2cccc(C)c2)c1=O 787397349 KUOONXAGYCYQPA-KRWDZBQOSA-N 395.459 1.211 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c(OC)cc1C 1772708826 KSPCHLYLANMKLC-PXAZEXFGSA-N 385.438 1.124 0 50 GDAA CCCc1nc(C)cc(N2C[C@@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@@]3(CO)C2)n1 1772810511 KQBKPPUFFDYFPI-IIBYNOLFSA-N 398.511 1.350 0 50 GDAA OC[C@@H](O)C1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 1772804721 RQAOJJLGTVSXFZ-HXUWFJFHSA-N 381.948 1.917 0 50 GDAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)nc2c1CCC2 12318027 SRNWLQFMEBKWCY-INIZCTEOSA-N 393.491 1.766 0 50 GDAA COc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl 13667698 HCRLQBCIVTXCPW-LLVKDONJSA-N 377.894 1.181 0 50 GDAA Cc1ccc(C)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14733682 CUFLSHPQXABSTE-JBACZVJFSA-N 393.487 1.809 0 50 GDAA Cc1ccccc1-n1[nH]c2cc(=O)n(CCCN3CCOCC3)c(C)c2c1=O 18208929 GDXIFMQUTARHDA-UHFFFAOYSA-N 382.464 1.820 0 50 GDAA CC(C)NC(=O)CN1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 19741473 KJRDJRCLPDMAMR-UHFFFAOYSA-N 375.448 1.442 0 50 GDAA C[C@H]1CCc2nn3ccn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3c2C1 169760004 QYPYCMXPFNQUOV-LBPRGKRZSA-N 380.404 1.988 0 50 GDAA Cc1cnnc(N2CCc3nc(N(C)C)nc(N4CCC(O)CC4)c3C2)c1C 1857676580 UNPCURGKEHYIND-UHFFFAOYSA-N 383.500 1.473 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3cccnc3)CC(=O)N2[C@@H]1c1ccccc1 1857686785 HNZMOBHSQIFXEV-QWFCFKBJSA-N 392.459 1.632 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@@H]12 1857708496 XDSXQMWJBJCZOE-ZCNNSNEGSA-N 377.554 1.310 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnc(C)cn3)CC(=O)N2[C@H]1c1ccccc1 1857723874 AHIKUROJGMLRHO-BXWFABGCSA-N 394.431 1.372 0 50 GDAA O=C(Cc1cn2ccsc2n1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857736052 IWLMJECPJBROFC-QQTQMKHKSA-N 383.473 1.534 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1875248999 CXJPIOKBBNAHRA-QAPCUYQASA-N 386.477 1.813 0 50 GDAA C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 119751319 YXCCVSHDKMYHEI-VIFPVBQESA-N 395.387 1.876 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704325810 SAEYCVBCGLXXPJ-HOCLYGCPSA-N 385.420 1.507 0 50 GDAA Cc1[nH]nc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)c1F 1875396371 DJLOEIJTVOMWMM-YJYMSZOUSA-N 376.432 1.239 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nc(C)ccc3OC)C2)n1 1875399401 BEDMOPVUGCJGHT-OAHLLOKOSA-N 384.484 1.534 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(CN2CCOCC2)CC1 1875314713 NRCMIDCEAFMDKK-CABCVRRESA-N 376.501 1.627 0 50 GDAA Cc1nc(C(=O)N(C)Cc2cccc(O)n2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403858 HPSHADNNVNQVEZ-MRXNPFEDSA-N 384.484 1.607 0 50 GDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)cc2F)CC1 888103803 ZWCFIROCKDQUSC-OALUTQOASA-N 392.450 1.944 0 50 GDAA C[C@@H]1O[C@H](C)[C@@H](C(=O)NS(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)[C@@H]1C 2325798721 SQTBQBOLGKGDCZ-JBBSTSQOSA-N 381.429 1.876 0 50 GDAA COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cncc(N)n1 2325853994 KFUVFQPCLBYUIB-CYBMUJFWSA-N 379.214 1.808 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 938056 AQACDZBIPYOVNM-OAHLLOKOSA-N 377.418 1.904 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 2356141849 SHHFBFGIJAQOOV-HXUWFJFHSA-N 379.420 1.340 0 50 GDAA Cc1c(-c2ccnc(N3CCN(C)CC3)n2)cnc2nc(-c3ccco3)nn12 54202013 QHZZOKWMBLPZAK-UHFFFAOYSA-N 376.424 1.902 0 50 GDAA O=C(CN1CC2(CCCCC2)CC1=O)N1CCC(CN2CCOCC2)CC1 20781056 XRZXAFSMWUPHAF-UHFFFAOYSA-N 377.529 1.740 0 50 GDAA Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 23337741 RZVCZJVLNUAFON-GOSISDBHSA-N 375.517 1.469 0 50 GDAA NC(=O)C1(NC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CCCCC1 67739607 XNMSPEPQKLTMJH-QFIPXVFZSA-N 387.524 1.751 0 50 GDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31603408 HLAXHSZNAYGZCG-KRWDZBQOSA-N 392.459 1.873 0 50 GDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnc[nH]1)C2 72168311 SJRYTBXJSCMJOM-YVWKXTFCSA-N 376.501 1.666 0 50 GDAA CC1(CO)CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)CC1 71735865 XFSUVUNCTKJZDT-UHFFFAOYSA-N 381.480 1.487 0 50 GDAA CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCC3(CC2)CNC(=O)N3C)C1 333530586 XZKBVJTVBDWVJI-INIZCTEOSA-N 393.532 1.470 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Cn2c(O)nc3ccccc32)C1 374837569 JDGSRWCBPXAQJN-ZDUSSCGKSA-N 382.424 1.830 0 50 GDAA O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1[C@H]1CCS(=O)(=O)C1 240897276 IRTBXSIOMDFFQF-KKUMJFAQSA-N 382.507 1.447 0 50 GDAA CN1C(=O)[C@@](CC(=O)N2CCNC(=O)CC2)(Cc2ccccc2)c2ccccc21 71416295 DRVXSKIVOXGSHR-HSZRJFAPSA-N 391.471 1.882 0 50 GDAA Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 174785752 ZBDJOOFMTDADQV-PKOBYXMFSA-N 387.528 1.426 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1 223096615 YGWBEMLECGKBKY-QZTJIDSGSA-N 390.461 1.438 0 50 GDAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc[nH]3)CC2)cc1 177099065 MFJVQDVGSUZEOJ-UHFFFAOYSA-N 391.497 1.394 0 50 GDAA CN(C)CCn1ncc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1-c1ccccc1 289202354 MGOUYUNHHVWVIY-UHFFFAOYSA-N 395.507 1.854 0 50 GDAA O=C(c1cc(C2CC2)n[nH]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95517824 ONSLLXYILQBPTR-UHFFFAOYSA-N 394.479 1.936 0 50 GDAA CNC(=O)c1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1 95386445 SIMSTJSMUBXKMU-WMLDXEAASA-N 381.480 1.493 0 50 GDAA O=C(NC1Cc2ccccc2C1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 95390730 BVNHGDFYYNUHBW-KRWDZBQOSA-N 386.473 1.651 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)C(=O)c3cccn3C)CC2)CC1 95507624 GANNUSZEYQLETD-UHFFFAOYSA-N 388.512 1.391 0 50 GDAA O=C(NCc1noc([C@H]2CCCO2)n1)C1CCN(C(=O)C2CCCC2)CC1 244899339 ZIALBUGAVZWANS-OAHLLOKOSA-N 376.457 1.966 0 50 GDAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccnc2c(C(N)=O)cnn12 184775012 OJBCCVHFEMTZJR-UHFFFAOYSA-N 376.420 1.766 0 50 GDAA COCCN1CCC[C@@]2(CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)C1=O 72163797 MILCKXJFMLXNTA-FQEVSTJZSA-N 385.468 1.447 0 50 GDAA Cc1cccc(N(CC(=O)NCCCc2csc(N)n2)S(C)(=O)=O)c1 827825659 ANSWMELQFORKQK-UHFFFAOYSA-N 382.511 1.549 0 50 GDAA Cn1nc(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)c2ccccc2c1=O 670439863 HJHVPZVRZKILKC-SFHVURJKSA-N 393.447 1.132 0 50 GDAA O=C1C[C@H](C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1 952991806 VZVQOORZIVHPBE-JTQLQIEISA-N 390.793 1.929 0 50 GDAA Cc1csc(SCC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)n1 1565510375 MTFLFYKTNSJKRV-STQMWFEESA-N 384.552 1.752 0 50 GDAA O=C(N[C@H]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1O)c1cccnc1 1565526934 NQAWOZWUCICGJD-PMACEKPBSA-N 377.448 1.633 0 50 GDAA O=C(Cc1cc(O)nnc1O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565528182 VNWVKGPUIYCTAV-MSOLQXFVSA-N 379.416 1.961 0 50 GDAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccn3)C2)nc(N)n1 952983312 KAEFKJVVGYSVAI-HNNXBMFYSA-N 396.495 1.935 0 50 GDAA O=C(Nc1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1)c1ccncc1 275287177 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CC1CCN(Cc2nnnn2CC(=O)N2CCN(C3CCCCC3)CC2)CC1 12590906 HIGHALMFZYXGOW-UHFFFAOYSA-N 389.548 1.382 0 50 GDAA O[C@@H](COc1cccc(CNCC2(O)CCCCC2)c1)CN1CCOCC1 12701263 XKOZEBVPPOWHTB-LJQANCHMSA-N 378.513 1.543 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 12751869 CVNUHNVZDKQDQQ-HXUWFJFHSA-N 395.507 1.090 0 50 GDAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CCOCC1)C2 14733195 LRRMDGXOVGBGDZ-HNNXBMFYSA-N 378.542 1.672 0 50 GDAA Cn1cc(-n2nc(-c3ccc(C(N)=O)cc3)nc2[C@H]2CCn3nccc3C2)cn1 1857681031 ZTGVDCHAWSGPHU-HNNXBMFYSA-N 388.435 1.693 0 50 GDAA Cn1cc(CNC(=O)[C@]23CCCCN2C[C@@H](NC2Cc4ccccc4C2)C3)cn1 1857689822 LZCKRPXZTLRMPH-JTHBVZDNSA-N 393.535 1.790 0 50 GDAA Cc1cc(=O)n(CCN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c(O)n1 1857692788 UMDXMYALIQVNKC-HXUWFJFHSA-N 384.436 1.007 0 50 GDAA CN1CCn2nc(C(=O)NC3CCN(CCc4ccccc4)CC3)cc2C1=O 1857701967 UOQGTRGJRSXBBH-UHFFFAOYSA-N 381.480 1.406 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)c(=O)n1C 1857706503 WDYXQDYMAGIGMV-OAQYLSRUSA-N 397.479 1.376 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Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 2776645 LPYUFSLISVMLSJ-UHFFFAOYSA-N 386.520 1.752 0 50 GDAA COCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2868426 VJKWDVMANZLFTM-UHFFFAOYSA-N 384.498 1.596 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@]12CCCNC2=O 2356159985 YDSYCFHWQJTKDU-GOSISDBHSA-N 390.465 1.314 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2ccc(C(N)=O)cc2)[C@H]1c1ccccc1 2356162357 ABYRHXJQLHKCPT-UXHICEINSA-N 395.459 1.779 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)ccc21 4511473 VCACKTDQOFJCBM-UHFFFAOYSA-N 388.449 1.282 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1N1CCCCC1 4842084 WBWBEGBAOBMHMJ-GJZGRUSLSA-N 395.525 1.834 0 50 GDAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccnc3)C2)c1 9260822 OSOWBJKCDDESFA-MRXNPFEDSA-N 394.478 1.564 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3noc(C)n3)C2=O)c1 67842312 AETGCKHWPMOYBM-IBGZPJMESA-N 392.431 1.212 0 50 GDAA CCn1cc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)c(C)n1 67851615 JKCNWWDJVUYQCV-SFHVURJKSA-N 391.560 1.650 0 50 GDAA O=C(Cc1cccs1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67803300 CZHRUZYJOUFBGI-JKSUJKDBSA-N 379.482 1.045 0 50 GDAA Cc1ccc(-c2nc3sccn3c2CN2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1 65404393 ZQOOCAFJDUDAQC-INIZCTEOSA-N 395.488 1.514 0 50 GDAA Cc1nc2c(C)cccc2cc1C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 215198355 AAMSWCIWWKBMQB-HNNXBMFYSA-N 377.466 1.242 0 50 GDAA Cc1oc(-c2ccco2)nc1CC(=O)NCc1ccccc1S(N)(=O)=O 253419938 FGCHBXHLCFWNEV-UHFFFAOYSA-N 375.406 1.749 0 50 GDAA COCCN(C)c1cnn([C@@H]2CCCN(Cc3cn4cccnc4n3)C2)c(=O)c1 328603321 FPOPOSTXFWIUPB-QGZVFWFLSA-N 397.483 1.206 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)cc4c3OCC4)C2)n1 328612037 NNQLRIWLKQTUOD-INIZCTEOSA-N 399.856 1.503 0 50 GDAA O=C(c1cc(F)c(O)c(Cl)c1)N1CC[C@H](Nc2ccc3nccn3n2)C1 370094549 ZDQTVAIFOFRBJW-NSHDSACASA-N 375.791 2.554 0 50 GDAA CC[C@H](C(=O)N1CCO[C@H](CC(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262715980 GSEIYICXWZYURM-ZIAGYGMSSA-N 393.831 1.647 0 50 GDAA CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@H](C3CC3)C2)c(O)nc1=O 377554687 NTGXXENFZZIROC-HNNXBMFYSA-N 391.516 1.806 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCOC[C@@](O)(CN2CCCC2)C1 77538742 WXGFEECCOCJVJE-JOCHJYFZSA-N 387.524 1.433 0 50 GDAA COC(=O)c1ccc(N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)s1 457136943 WOMFCIHLAHMYGH-UHFFFAOYSA-N 378.454 1.548 0 50 GDAA O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 45162261 MZOITHNMRLMPEC-UHFFFAOYSA-N 376.482 1.878 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(N)n[nH]4)C3)C2)c1OC 426488116 DTXKNKKZBRNMMW-OAQYLSRUSA-N 399.495 2.137 0 50 GDAA C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)C(=O)c1ccccc1 239121097 JHOBKPSSCGRTAN-WSHGUSNWSA-N 379.412 1.854 0 50 GDAA Cc1nnnn1CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95364383 AWBXRNPCVQEHKW-DFQSSKMNSA-N 382.468 1.166 0 50 GDAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCCN(C)C)C2)CC1)n1ccnc1 91625357 YCAJGXGAKBZIIF-KRWDZBQOSA-N 375.517 1.627 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2NC(C)=O)cc1 92021337 IBPIBQSIVABCLO-VQTJNVASSA-N 387.480 1.384 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(c3cc(C)c4cccc(OC)c4n3)C[C@@H]2C1 95389410 CZMYLLSXHXIRDO-OPAMFIHVSA-N 399.491 1.988 0 50 GDAA COc1cc(C)ccc1CN1CC[C@@]2(O)CCN(S(=O)(=O)N(C)C)C[C@H]2C1 95381888 BRETTZIVHVRYCK-IEBWSBKVSA-N 397.541 1.069 0 50 GDAA COc1ccc(N2C[C@H](NC(=O)Cn3ncc4ccccc4c3=O)CC2=O)cc1 91459252 ARJJQNFZLFIJJS-OAHLLOKOSA-N 392.415 1.327 0 50 GDAA CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccc(OCCO)c1)CC2 91997814 PYOVGUUGNMESPW-UHFFFAOYSA-N 384.480 1.677 0 50 GDAA O=C(C[C@@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 92078208 MBWVRVTUMWDIPM-HXUWFJFHSA-N 399.535 1.839 0 50 GDAA Cc1ccccc1N1CCC(N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)CC1 95356728 POHGUURZCPDWFV-WOJBJXKFSA-N 387.568 1.961 0 50 GDAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CSc2nncn2C)C1 95509697 SLXXJGUKHMZTLR-CQSZACIVSA-N 377.518 1.072 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CSC)CN1Cc1cc2ccccc2o1 92020661 IINHPJVGXKADTE-HOCLYGCPSA-N 375.494 1.991 0 50 GDAA Cc1nn(C)c(C)c1CNC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263615944 GDUQQNCJJUQWMW-KRWDZBQOSA-N 384.415 1.969 0 50 GDAA Cc1c(OCC(=O)Nc2cccc(Br)c2)c(=O)ccn1CCO 263588852 ZFVCDAJYAZWDKY-UHFFFAOYSA-N 381.226 1.929 0 50 GDAA Cc1cc(=O)[nH]c(C)c1NC(=O)c1cccc(CN2CCN(CCO)CC2)c1 67804722 KUMGIBUCCDZWRO-UHFFFAOYSA-N 384.480 1.354 0 50 GDAA Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[C@H](C(=O)NC2CC2)C[C@H]1O 1940195011 IIGNPEVDNQGKKR-POZUXBRTSA-N 384.480 1.659 0 50 GDAA O=C(NCCc1cscn1)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc[nH]3)[C@@H]2C1 1940196938 GFILUGMOBQXOSJ-IAOVAPTHSA-N 388.493 1.840 0 50 GDAA CN(CC(F)F)C1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 1329603824 JMBCXAIQSWAKFF-UHFFFAOYSA-N 380.399 1.647 0 50 GDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cnc2ccccc2n1 670474201 SUSZIPWXMOWRCT-XAHYOPIXSA-N 399.498 1.927 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 670440838 DLDZDIXGRRKTGT-QGZVFWFLSA-N 381.480 1.928 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@H](OCc2ccccn2)C1 952991405 RFZFRQZRAGNDGB-IBGZPJMESA-N 396.495 1.201 0 50 GDAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)N1 952964602 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CCN1C[C@H](CN(C)c2nc3nonc3nc2NCc2cccs2)CC1=O 15065460 IIDQZJUDGGYXBQ-NSHDSACASA-N 387.469 1.991 0 50 GDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)N1CCc2ccccc21 19851879 URPGIPGKMJWBQU-UHFFFAOYSA-N 387.509 1.812 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@@H]3CCCNC3=O)cc12 1857690818 NBDKUYVLFHEVPP-CQSZACIVSA-N 391.493 1.167 0 50 GDAA CCOCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)COc3ccccc3)C2)C1 1857696203 RALIKPLYYPKUMO-TZIWHRDSSA-N 376.497 1.777 0 50 GDAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857703717 XNYXWJBZPSPFKV-AWEZNQCLSA-N 381.473 1.141 0 50 GDAA CS(=O)(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C[C@@H](O)c2ccccc2)C1 1857708806 OEPBSSZSWGHBCO-HCXYKTFWSA-N 380.510 1.377 0 50 GDAA O=C(NCc1cc[nH]n1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857728576 IBWNHCSVORTGLP-ZDUSSCGKSA-N 382.449 1.521 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3C[C@H]4COC[C@H](CN4C)C3)cc12 1875250356 RGRHBKVNVSAWRY-KGLIPLIRSA-N 377.466 1.200 0 50 GDAA Cc1nc(N2CCNC(=O)C2)c2c(n1)[C@]1(CCCN(C(=O)C3CCC3)C1)CC2 1875244387 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O[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 71748157 BKOUBDXCPGLHNH-RTBURBONSA-N 396.470 1.859 0 50 GDAA CSc1ccccc1CN1CCn2nc([C@H](O)CS(C)(=O)=O)cc2C1 219142409 IQQUVUMQWYPBFV-MRXNPFEDSA-N 381.523 1.699 0 50 GDAA CC(=O)N1CCN(Cc2cnn(-c3cccc(C)c3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72454542 PABIIEVVBFCWSR-RBUKOAKNSA-N 388.493 1.010 0 50 GDAA O=C(c1cc(F)ccc1O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 215838976 XOQQBHOEKBKUCU-UHFFFAOYSA-N 385.461 1.410 0 50 GDAA CSCC[C@H](N)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 262719468 YFEGXDHIDPCGEO-SJORKVTESA-N 378.542 1.081 0 50 GDAA CO[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 77358162 RMJSBSSYHKQEOW-MRXNPFEDSA-N 399.447 1.644 0 50 GDAA CN(C)c1cc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)nc(N)n1 71754526 HJDDSILFCQGZBO-UHFFFAOYSA-N 394.483 1.442 0 50 GDAA Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCOC4(CCOCC4)CC3)n21 372202989 DPNIVGUZVRUBMX-UHFFFAOYSA-N 397.479 1.661 0 50 GDAA CN(C)[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc2c(c1)OCO2 77342176 LSOXRGGVAJFSIE-IBGZPJMESA-N 387.480 1.879 0 50 GDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]c1=O)C2 71748265 QBDQJQDGEGDAIY-UHFFFAOYSA-N 376.420 1.491 0 50 GDAA O=C([C@H]1CC[C@@H](C(=O)N2CCOC3(CCC3)C2)C1)N1CCOC2(CCC2)C1 334023985 FVNBSKVFIRLJGY-CALCHBBNSA-N 376.497 1.966 0 50 GDAA CCn1ccnc1CNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71774740 KCFWZACFCNJIIG-HNNXBMFYSA-N 385.468 1.509 0 50 GDAA COc1ccc(N2CCN(C(=O)NCCSc3nc[nH]n3)[C@H](C)C2=O)cc1 426387250 JKOWBBVKJSXLKX-GFCCVEGCSA-N 390.469 1.352 0 50 GDAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 426580658 FVRQMDQKVLXZSB-UHFFFAOYSA-N 380.408 1.399 0 50 GDAA CN(C)S(=O)(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 92002240 BELFZVOGCXZILQ-UHFFFAOYSA-N 380.514 1.135 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCC3(CCO3)CC2)c1)N1CCOCC1 95390347 VUKILUDSYTZQBY-UHFFFAOYSA-N 380.466 1.103 0 50 GDAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)COc1ccc3ccccc3c1)CC2 91645953 UVSSXVVPMBTURI-UXHICEINSA-N 384.476 1.936 0 50 GDAA CN1C(=O)CN(CC(=O)N2CCC[C@H]2c2nccs2)C(=O)c2ccccc21 95531715 BXXQRRLYSYKFNB-HNNXBMFYSA-N 384.461 1.925 0 50 GDAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 95525096 HOLOXJGYBRCLDP-QFIPXVFZSA-N 398.507 1.958 0 50 GDAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95373143 MMMBPSROSISMCS-GDBMZVCRSA-N 382.464 1.553 0 50 GDAA CCCc1cc(N2CCC(N[C@H]3CC(=O)N(CCOC)C3)CC2)nc(C)n1 96132630 UYYVCBJCFZOLIX-SFHVURJKSA-N 375.517 1.543 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@H](C)n3cc(C)cn3)CC2)CC1 95522852 WCENOPFSRSGGDJ-SFHVURJKSA-N 389.544 1.935 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 252539140 NTZUIGNJNFJKCB-OTVXOJSOSA-N 378.860 1.675 0 50 GDAA O=C(O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 299748126 GDBDAHZXEBDIQH-NSHDSACASA-N 388.207 1.789 0 50 GDAA COc1ccc([C@H]2Cn3nnc(C(=O)NCCc4ccccn4)c3CO2)cc1 263618942 WFVXUJLKQYGKFC-GOSISDBHSA-N 379.420 1.926 0 50 GDAA O=C(CS(=O)(=O)c1cccc(Br)c1)NOCC(F)(F)F 766762168 LHZQNHHWCGTLIM-UHFFFAOYSA-N 376.150 1.833 0 50 GDAA O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1610658527 MKENOVIABDILOO-ORAYPTAESA-N 393.461 1.890 0 50 GDAA Cn1nc2n(c1=O)C[C@H](C(=O)Nc1ncc(Cc3cccc(F)c3)s1)CC2 1506406003 MFLINQZMJATHMA-GFCCVEGCSA-N 387.440 1.969 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]2O)on1 1704280204 UEVUHQJQXXKPFQ-APWZRJJASA-N 383.448 1.936 0 50 GDAA CC(C)CNc1ccccc1C(=O)N1CCCN(C(=O)Cn2cnnn2)CC1 1772704478 MGJVCMJUCJNKLI-UHFFFAOYSA-N 385.472 1.116 0 50 GDAA CC(C)c1noc(CN2C[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@]3(CO)C2)n1 1772816081 HAGYVUYJPITGIM-QVKFZJNVSA-N 396.495 1.996 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(-n2cccn2)cc1 11812888 ILTJJFCSEHGLLX-IBGZPJMESA-N 383.496 1.725 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)NCc1cc(C(F)(F)F)ccc1F 12003605 ALDODCRJAFZUKW-UHFFFAOYSA-N 386.353 1.743 0 50 GDAA CC(C)CCn1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13152767 YFZFLBIXWMOELA-OKILXGFUSA-N 377.489 1.089 0 50 GDAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1ccoc1)CC2 14993379 AVXJYZOIDKHSOT-UHFFFAOYSA-N 395.463 1.667 0 50 GDAA CN(C)C(=O)[C@@H]1c2cnn(C)c2CCN1C(=O)c1cnc(-c2ccccc2)nc1 1857532347 LYQMFQNUVAJNFR-SFHVURJKSA-N 390.447 1.705 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1NC(=O)C1CC1 1857705223 YGFFMWKFSMRVPC-QXAKKESOSA-N 386.496 1.440 0 50 GDAA O=C(CN1CC[C@@H](O)[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1)NC1CC1 1857706161 CAIJWXMYNIVDFE-WIYYLYMNSA-N 377.529 1.521 0 50 GDAA O=C(c1cc2ncccn2n1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857712610 DXNNPZPKMVMHBP-PXNSSMCTSA-N 384.411 1.297 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)c2n1 1857728767 CHQNCLRWGKXTNP-MRUHUIDDSA-N 397.479 1.852 0 50 GDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC1 328607164 UZBCPOSCFMCUDE-UHFFFAOYSA-N 395.525 1.629 0 50 GDAA Cc1nc[nH]c1CN1CCN(CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 248068275 XTJUIZWLVLHMNU-UXHICEINSA-N 388.537 1.634 0 50 GDAA CCC(=O)N1CCCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 364006369 WNNJYSSXHKQIQH-UHFFFAOYSA-N 378.439 1.915 0 50 GDAA Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC(=O)C[C@H]1C=CCC1 857068619 AUDKLCVHGQVUMA-JTQLQIEISA-N 399.270 1.961 0 50 GDAA CC(C)Cc1ncc(C(=O)NCC23CC(C(N)=O)(C2)C2(CCNCC2)O3)s1 1875393170 IIDCBNRYUNLUOZ-UHFFFAOYSA-N 392.525 1.228 0 50 GDAA COC(=O)/C=C/C(=O)N1CCC[C@H](c2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875380044 CXBWPYNLWBZYAM-KZQRZKTQSA-N 386.374 1.838 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC3(C=C(C(=O)OC)CO3)CC2)cc1 1875373723 MINSQDWPHLLXGC-UHFFFAOYSA-N 384.432 1.940 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cccnc1N1CCOCC1 1875314780 RWXJLXHPPULCPC-KGLIPLIRSA-N 385.468 1.604 0 50 GDAA CCc1nc([C@@H]2CN(C(=O)c3cc(C4CC4)nn3CC)Cc3c[nH]nc32)n[nH]1 1875393569 OZCVEVVHPBDQMP-CYBMUJFWSA-N 380.456 1.972 0 50 GDAA Cc1coc(CN2C[C@@H](CC(=O)N[C@@H]3CCn4nccc4C3)OCC23CCC3)n1 2325785457 ZWOKAHSACHQTDL-SJLPKXTDSA-N 399.495 1.824 0 50 GDAA FC(F)[C@H]1CN(c2ncc(Cl)c(N3CCN[C@@H](C(F)F)C3)n2)CCN1 2325788940 UWLYSMSZYHVFCT-NXEZZACHSA-N 382.793 1.217 0 50 GDAA COCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C 4810244 NDJOFVRATAHPOD-UHFFFAOYSA-N 389.462 1.831 0 50 GDAA Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCNC3)C2)nn1-c1ccccc1 415823644 TYTNLISKONLBKW-IRXDYDNUSA-N 381.480 1.967 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C)c1 9874950 WYMNVHBMNZDOBF-UHFFFAOYSA-N 379.526 1.798 0 50 GDAA CN(C)CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc1 20859779 VNKSOIAWFASTPN-IBGZPJMESA-N 394.475 1.370 0 50 GDAA O=C1CN(C(=O)c2cc(CN3CCC(Cc4ccccc4)CC3)on2)CCN1 67757379 JPUSUEFPBTUYRT-UHFFFAOYSA-N 382.464 1.701 0 50 GDAA CC[C@H](COC)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67673968 UTPFCDGBTHXELI-QGZVFWFLSA-N 376.501 1.855 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN3CCCN(C)CC3)C2=O)c1OC 67490080 OSYGBXDMLFTJHB-OAQYLSRUSA-N 391.512 1.195 0 50 GDAA Cc1ccc2nc(C)cc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)c2c1 215283026 XZHZOMCLPLUHCC-UHFFFAOYSA-N 375.494 1.654 0 50 GDAA Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72437500 VZMGHVXUIKLKLW-CVEARBPZSA-N 383.514 1.397 0 50 GDAA CCc1ccc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 72428164 CELWNVWKZRDLBD-ZWKOTPCHSA-N 377.510 1.254 0 50 GDAA Cc1cc(CC(=O)N2CCC[C@@](O)(CNC(=O)c3cccs3)CC2)on1 72169101 PFOMZBFUGKSWKH-SFHVURJKSA-N 377.466 1.761 0 50 GDAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCOC[C@H]3CC(=O)O)sc21 72447204 OEEPKZMIUBGSSW-SSDOTTSWSA-N 377.344 1.969 0 50 GDAA CCc1nccn1CCC(=O)N1CC2(CCN(C(C)=O)CC2)C[C@@H]1C(=O)O 72479283 MNBFOWKVXVUDQJ-OAHLLOKOSA-N 376.457 1.150 0 50 GDAA Nc1nnc([C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)c2ccccc2)s1 426581292 QHUNJSIYHCREAR-OAHLLOKOSA-N 381.417 1.971 0 50 GDAA O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCN(c2ncccn2)CC1 220717598 OBCWWPNBMCXXFB-HNNXBMFYSA-N 383.427 1.708 0 50 GDAA COC[C@@H](NC(=O)Nc1cc(C(=O)NC2CC2)ccc1OC)c1ccnn1C 96139289 NLFMVCFRWZIWCI-OAHLLOKOSA-N 387.440 1.830 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H](c1cccc(C)c1)N(C)C)C2 426589761 KVFJCXGQGIODGH-FQEVSTJZSA-N 383.496 1.863 0 50 GDAA CCN1C(=O)NC(=O)C12CCN(C(=O)[C@@H](c1cccc(F)c1)N(C)C)CC2 95379960 BJHPKWSVRNHGLM-OAHLLOKOSA-N 376.432 1.361 0 50 GDAA CN(CCO)C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1CO 91746988 KIOWVLPLSOVKJC-ZIAGYGMSSA-N 375.296 1.527 0 50 GDAA CC(C)(C)n1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 95500325 LAIKUTGPVBBVRL-SJORKVTESA-N 379.526 1.577 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)CCn1ccc(C)n1)CC2 91877269 QWHKNHFCVWHBIW-UHFFFAOYSA-N 376.501 1.849 0 50 GDAA O=C(CCCn1ccnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91650965 TXMYYNYKUOFSOU-UHFFFAOYSA-N 384.484 1.709 0 50 GDAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 268080298 VECVZLGGAZMEEG-GFCCVEGCSA-N 390.425 1.008 0 50 GDAA CN(C)c1ccc(CC(=O)N2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)cc1 243901191 AZILNWGHDXGZNI-WOJBJXKFSA-N 381.476 1.687 0 50 GDAA COc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)cc1 244884374 YLIBDDKCYGMLFT-IYOUNJFTSA-N 378.450 1.889 0 50 GDAA C[C@@H](CCn1cccn1)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67694654 FTSDUTVAABCGGT-JTQLQIEISA-N 384.483 1.046 0 50 GDAA Cc1ccc(C(=O)O[C@](C(=O)O)(C(=O)c2ccc(C)cc2)[C@H](O)C(=O)O)cc1 71621425 JQPIFDQVAKKOKQ-OXQOHEQNSA-N 386.356 1.612 0 50 GDAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2ccc4nc(O)[nH]c4c2)[C@@H]3C1=O 822925622 LJIYDYNPVMHEOS-MFCZKXCZSA-N 382.420 1.077 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)COCc3ccccc3)[C@@H](O)C2)cs1 1565516528 VIDOCPIPMCMYFB-ROUUACIJSA-N 375.494 1.720 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1C(=O)C1CCCC1 96140739 VDEUARKFAAVWSK-ZBFHGGJFSA-N 376.457 1.433 0 50 GDAA CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCN(Cc2ccccc2)C1 186345313 NAHMVDICLVFSLA-SFHVURJKSA-N 394.541 1.025 0 50 GDAA COc1cc(-c2onc(N(C)CCN3CCOCC3)c2C(=O)O)ccc1F 1704311913 WQBXDGVZWXJCDF-UHFFFAOYSA-N 379.388 1.956 0 50 GDAA Cc1csc(SCC(=O)N2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)n1 1704344376 OYYQATWLFAFEJA-CYBMUJFWSA-N 396.538 1.083 0 50 GDAA CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002268 IHWSWAZRNFOHMV-CQSZACIVSA-N 386.495 1.011 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c4c(nn3C)CCCC4)C2)n1 1857527194 ATOYHQWMJVKFRX-OAHLLOKOSA-N 397.527 1.434 0 50 GDAA CN1CCn2nc(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)cc2C1=O 1857677393 ZQYLMJPDVAFEKI-HNNXBMFYSA-N 379.424 1.122 0 50 GDAA O=C(N1CCN(c2ncccn2)CC1)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 1857682038 MKJMWOXPWYAGKQ-NNMXDRDESA-N 377.492 1.879 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)CCCOc1ccccc1 1857687571 ZDEHHARPAWBTQO-MNZLEMJZSA-N 395.525 1.479 0 50 GDAA Cc1cc(-c2nnc3n2C[C@@]2(CCN(C(=O)Cc4[nH]cnc4C)C2)OC3)on1 1857689264 LOCKNVVEIIICAN-SFHVURJKSA-N 383.412 1.017 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)S(=O)(=O)CC[C@H]1CCS(=O)(=O)C1 1857691466 MNLYITNJWKDOIN-CYBMUJFWSA-N 389.543 1.265 0 50 GDAA CN1CCn2nc(C(=O)N3CCC(c4nnc5n4CCCCC5)CC3)cc2C1=O 1857701149 QUQUFNWQABVEFT-UHFFFAOYSA-N 397.483 1.306 0 50 GDAA O=C(CCn1ccccc1=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857722354 JFUVMKAERPKQQS-SVMVAKDDSA-N 393.443 1.539 0 50 GDAA CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 363296883 GITLPVKLIKCBAG-GOSISDBHSA-N 375.469 1.090 0 50 GDAA Cn1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)c(=O)n2)c(C2CCC2)n1 1875279736 BBEGNPCTCMIWBC-UHFFFAOYSA-N 391.375 1.607 0 50 GDAA O=C(NS(=O)(=O)c1nc(Cl)cs1)[C@@H]1CNC[C@H]1Cc1ccccc1 1875392783 UMTLYJULHNYAMG-VXGBXAGGSA-N 385.898 1.680 0 50 GDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1N[C@@H](C)c1cc(-c2ccccc2)n(C)n1 1875399930 MHXUDVTUMQJGSF-UCLAIMLFSA-N 393.495 1.844 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C(C)C)cc1O2 1875368880 SQLUJUWBUMIZKG-CQSZACIVSA-N 376.457 1.286 0 50 GDAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 1875396241 ZSUFKQKJFBTQLD-CRICUBBOSA-N 399.538 1.509 0 50 GDAA CCN1CC[C@@H](N(C)c2ncnc3c2ncn3C2CC(CO)(CO)C2)[C@H](C)C1 888097872 RNHBNILKOFNIAJ-GDBMZVCRSA-N 388.516 1.299 0 50 GDAA CCN1C[C@H](C)[C@H](NC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)C1 893585861 WLESYKCCKWIEOO-KYEXWDHISA-N 397.463 1.478 0 50 GDAA CCn1cc(NC(=O)Cn2cc(-c3ccccc3N3CCNCC3)cn2)nn1 200502166 UUAJUHHEULHEFT-UHFFFAOYSA-N 380.456 1.210 0 50 GDAA COC(=O)[C@@H]1CN(C(=O)CCCN(C)C(=O)c2ccncc2)C[C@H]1C(C)C 2325786886 SYGWTLRINLGXJT-DLBZAZTESA-N 375.469 1.837 0 50 GDAA CN(CCN(C)c1ccccc1)C(=O)[C@@H]1CO[C@H](CNC(=O)c2cn(C)cn2)C1 2332238023 VRRZZRZOBMSJRR-WMZOPIPTSA-N 399.495 1.150 0 50 GDAA O=C(CC1CC1)N[C@H]1CC2(CN(CC3CCS(=O)(=O)CC3)C2)n2ccnc21 2332238116 ZPSKBOATSBGALX-INIZCTEOSA-N 392.525 1.080 0 50 GDAA CN(C)c1ccc(-c2ccnc(N3CCC(CS(N)(=O)=O)CC3)n2)cc1 2356136468 VZOFTJHJLMKLPO-UHFFFAOYSA-N 375.498 1.715 0 50 GDAA Cn1cc(NC(=O)CN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)cn1 2356167802 CMORMJSERARWQD-FQEVSTJZSA-N 382.468 1.411 0 50 GDAA COCCSc1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)s1 4502992 IHCSXRSBEHGBTR-UHFFFAOYSA-N 387.508 1.997 0 50 GDAA Cc1ccc2[nH]cc(CCC(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)c2c1 461313798 FNVAWLPDTFGJCL-UHFFFAOYSA-N 392.525 1.750 0 50 GDAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)Cc1cscn1)CC2 20326274 ZBKLNLCBXJOPKD-HNNXBMFYSA-N 390.513 1.585 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCOC(C)(C)C3)C2=O)c1 67725085 WGQYSWMKULRHEP-HXUWFJFHSA-N 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CCOc1ncccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 95508514 MHGKEVAYRDKSPA-NRFANRHFSA-N 388.512 1.887 0 50 GDAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc2ccccc2[nH]1 263587185 DEKHKYZCLUJGHM-HNNXBMFYSA-N 381.392 1.325 0 50 GDAA CN1CCC(N2CCN(c3nc(N)nc(NCc4ccccc4)n3)CC2)CC1 65493754 IJZZKDJULBYKQG-UHFFFAOYSA-N 382.516 1.282 0 50 GDAA CCCn1cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c(C)n1 299780486 BFXRLDMVUCKQRZ-QZTJIDSGSA-N 375.473 1.572 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc(O)n1 825269017 MMKQLHMUDRGPEK-LVKMRUPZSA-N 378.476 1.393 0 50 GDAA Cn1cccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c1=O 952970815 TXZJPJDLSFQRQJ-CQSZACIVSA-N 397.431 1.396 0 50 GDAA O=C(c1cnc(O)nc1O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565510414 DCQNLZUMLUCVNS-CJNGLKHVSA-N 380.448 1.592 0 50 GDAA COCCc1noc(CN(C)S(=O)(=O)c2ccc3nc(O)sc3c2)n1 952985729 CWCAFTQJLFFLML-UHFFFAOYSA-N 384.439 1.395 0 50 GDAA Cn1cnnc1C1CCN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1 185904361 YZLIEYRKVDCJQB-UHFFFAOYSA-N 396.455 1.601 0 50 GDAA Cc1c(C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c(=O)oc2ccccc12 275850819 YNKVQGSCFAEPBL-CQSZACIVSA-N 393.447 1.820 0 50 GDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)Cc2noc3ccccc23)C1 189187226 TXWLOSNCWQKQGD-SMDDNHRTSA-N 378.410 1.811 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCS(=O)(=O)C[C@H](C)C1 191900545 AJDUXVOKRUORMT-FZKQIMNGSA-N 391.493 1.108 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(Cc3ccccc3)no2)C1 1506428255 OKIHNCGEOUIILH-OAHLLOKOSA-N 380.470 1.353 0 50 GDAA Cc1nn2c(NC(=O)Cn3nc(C)c4ccccc4c3=O)csc2nc1=O 1506397460 NJHLAAANPGBJHS-UHFFFAOYSA-N 382.405 1.116 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](c3csc(C(C)=O)c3)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 210364430 PWHREZWDZBHAAD-NUXNZHGMSA-N 378.450 1.538 0 50 GDAA CC(C)(C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(=O)N[C@H]1c2ccccc2C[C@H]1O 5495911 JXANLUMWGSWPBN-ZRNYENFQSA-N 394.471 1.562 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(-c2ccccc2)no1 11843040 VDYJIUHOBNNWNC-MRXNPFEDSA-N 399.495 1.632 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOC(C)C)c(F)c1 12373616 YPWWRORKCOZRNO-KRWDZBQOSA-N 381.448 1.066 0 50 GDAA COc1ccccc1/C=C/CN1CCC[C@H](n2cc(C(=O)N(C)CCO)nn2)C1 14967806 KDFIRGUNPWFIAA-MOTZXUDYSA-N 399.495 1.701 0 50 GDAA O=NN(CCN(Cn1nnc2ccccc21)N=O)Cn1nnc2ccccc21 16134157 ZOYHHMCGANWRQI-UHFFFAOYSA-N 380.372 1.758 0 50 GDAA Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3ccc(F)cc3)nn2)n1 19924120 JRGXGKRJQMVINY-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCOc3ccccc3)CC2=O)s1 1857673069 FIDGCDHFJFMDER-LBPRGKRZSA-N 376.438 1.233 0 50 GDAA CNC(=O)Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccc3c(c2)CCC3)n1 1857673671 XKMKBRBKVFGUBZ-OAHLLOKOSA-N 377.452 1.366 0 50 GDAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(Cc3nccn3C)[C@H]2C1 1857675093 KPDOSTLQIKAUDF-FXAWDEMLSA-N 375.517 1.002 0 50 GDAA O=C([C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CCC(O)CC1 1857696283 UVGYKIACCAPJHY-CQSZACIVSA-N 386.477 1.465 0 50 GDAA Cn1cc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)cn1 1857721443 OVXKNIUTPMKRBR-PMACEKPBSA-N 384.480 1.459 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CC(Oc4ccc(F)cc4)C3)CC2=O)s1 1857737500 PILPHTXZRWBOLP-LLVKDONJSA-N 390.440 1.882 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 328616655 BYLKPEAZDVJZNT-SMDDNHRTSA-N 383.474 1.387 0 50 GDAA CC(C)n1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)Cn3ccccc3=O)CC1)O2 1875394370 HDVVAAFURNJSMO-HNNXBMFYSA-N 386.452 1.503 0 50 GDAA Cc1ncc2n1CC[C@H](C(=O)N1CC(N3CCN(C(=O)C(C)(C)C)CC3)C1)C2 1875312757 UCFBFGZFUIICMY-INIZCTEOSA-N 387.528 1.155 0 50 GDAA CC(=O)N1CC(C(=O)N2CCC3(CC2)C[C@H](O)c2nn(C(C)C)cc2O3)C1 1875394642 QJPHLFZAPWTQBU-HNNXBMFYSA-N 376.457 1.119 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)c3cc(C)ccc3F)CC1)OC2 1775962070 QWZQJMXPMMMITC-UHFFFAOYSA-N 386.427 1.895 0 50 GDAA CCn1cncc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100478141 UZUQVKOWIYBISQ-UXHICEINSA-N 398.463 1.659 0 50 GDAA CCCN1C[C@@H](NC(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1=O 2325754658 IOSRICSKHXBTET-INIZCTEOSA-N 390.484 1.811 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)Nc4ccccn4)cc3C2=O)C(=O)N1 2325887097 UMJNYANYSVTXTL-OAHLLOKOSA-N 393.403 1.164 0 50 GDAA CCCN1C(=O)N[C@@H](CC(=O)N2CCC3(CC2)OCCc2sccc23)C1=O 2356142444 SKIJMJAZFWYYCT-AWEZNQCLSA-N 391.493 1.859 0 50 GDAA CN1C[C@]2(CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)C2)OC1=O 2356147359 SPBJFGQXTPFXFG-SFHVURJKSA-N 391.493 1.566 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCC(N2CC(O)C2)CC1 2356151974 JUQWADBNGXGTEK-UHFFFAOYSA-N 391.475 1.761 0 50 GDAA CN1C[C@@]2(CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C2)OC1=O 2356156523 GCANFBPFZVQKJK-GOSISDBHSA-N 391.493 1.566 0 50 GDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CCCN3[C@]13C(=O)Nc1ccccc13)C2 2356156940 XQOFGJJMMVSFIO-RNSKICICSA-N 380.492 1.514 0 50 GDAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC4(CC3)OCCO4)C2)c1 4034845 PKDJQZRGTCVIKP-QGZVFWFLSA-N 376.409 1.562 0 50 GDAA COCCN1CCC[C@]2(CCCN2CCS(=O)(=O)c2ccccc2)C1=O 2356168687 BBELZLZSRPWRFU-IBGZPJMESA-N 380.510 1.564 0 50 GDAA COc1ncccc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356170856 CVMOGBOOENBFAO-WHSLLNHNSA-N 387.480 1.991 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NC1Cc2ccccc2C1 55182906 QRAWBNLMWYEJFG-FQEVSTJZSA-N 381.451 1.800 0 50 GDAA O=C(CCN1CCCCO1)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 55576322 BESAYCMOAOHMCD-UHFFFAOYSA-N 375.425 1.004 0 50 GDAA NCC(=O)N1CCC(Cn2cc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)nn2)CC1 102314570 OVAFCKPJVFLKMG-NXWIVVFCSA-N 386.544 1.486 0 50 GDAA CC(C)N1CCC(N2CCN(Cc3cccc4nonc34)C[C@@H]2CCO)CC1 20777455 KPSAPMDGPHMJAV-IBGZPJMESA-N 387.528 1.964 0 50 GDAA O=C(NC(CO)CO)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 67947477 PLAZNCRMDUAGCA-MRXNPFEDSA-N 396.491 1.318 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2CCNC2)CC1 67908196 SGTHULVGGMSKLZ-LJQANCHMSA-N 379.508 1.942 0 50 GDAA C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 409413652 PSJSBONKGSHWJN-BDAKNGLRSA-N 381.230 1.175 0 50 GDAA CCc1ccc(C(=O)NC(C)(C)c2cn([C@@H]3CN[C@H](C(=O)NC)C3)nn2)cc1 67921416 FXROAQKVIXFVOM-HOTGVXAUSA-N 384.484 1.155 0 50 GDAA CCCCNCc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1 22913173 NYNRZHDKIHOKOA-IBGZPJMESA-N 379.545 1.962 0 50 GDAA COCc1noc(Cc2nc3c([nH]2)C[C@@H](c2ccccc2OC)CNC3=O)n1 65488265 UYCSYDCLWKGUOP-LLVKDONJSA-N 383.408 1.608 0 50 GDAA COCCC(=O)N1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 252508617 XPXFMMDCQQWCHI-GOSISDBHSA-N 378.513 1.905 0 50 GDAA CN(C)C(=O)Cn1ccc(NC(=O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)n1 328606459 RPNXTJGUUVXLRR-XMSQKQJNSA-N 395.507 2.212 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](Oc4cccnc4)C3)ccc21 328608965 BUHNHNZDDXFLKT-KRWDZBQOSA-N 387.461 1.833 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 4088837 MZKOJZUWFLDRIC-CABCVRRESA-N 387.461 1.615 0 50 GDAA biogenic C[C@H](CO)NC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77297925 IQDVLOOSYRSZQE-LLVKDONJSA-N 376.800 1.444 0 50 GDAA CC1(C)C(O)=Nc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc21 330241257 FOIDDSFGRPAXLT-AWEZNQCLSA-N 391.493 1.511 0 50 GDAA CCNCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 237054283 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CC[C@]1(O)CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96162824 IPOIIUIQAZUUQZ-IBGZPJMESA-N 378.473 1.417 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C(=O)NC(C)C 98086200 DEGODFJDWAVGGU-HZPDHXFCSA-N 384.498 1.757 0 50 GDAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCSCC2)c1 95356048 WTODGBDZGSTXAE-UHFFFAOYSA-N 377.491 1.749 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cn(CC)nc1C)CC2 92002044 VUEOCXXWPGCQKP-UHFFFAOYSA-N 384.484 1.861 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95528509 CPCSGWATCRRHIV-QGZVFWFLSA-N 378.436 1.289 0 50 GDAA CCc1noc(C)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91474903 KPQJXHDENFFGNV-WBVHZDCISA-N 392.500 1.488 0 50 GDAA COCCn1nnnc1[C@H]1CN(C(=O)Nc2cccc3cc(C)oc23)CCO1 96180654 YWYMKKYFZDZSBN-OAHLLOKOSA-N 386.412 1.980 0 50 GDAA O=C([C@H](c1cccnc1)N1CCOCC1)N(C/C=C/c1ccccc1)CCO 95354454 PISLGMRBMFSQRC-FERLCFGISA-N 381.476 1.989 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(Cc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1 95481042 YZSUDYKEIXUORO-UHFFFAOYSA-N 388.859 1.234 0 50 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CN(CCO)C(=O)c1cn([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)nn1 12132250 GSQOWYANVSLEBL-CYBMUJFWSA-N 395.866 1.972 0 50 GDAA Cc1ccc(CNC(=O)c2cn(CCNC(=O)[C@H]3CCOC(C)(C)C3)nn2)cc1 14997835 RCYWSMPMADMCAU-KRWDZBQOSA-N 399.495 1.838 0 50 GDAA Cc1cc(Br)c2c(c1)CN(CCS(=O)(=O)CC(=O)O)CC2 263575476 PBUYJUVWYDPDTQ-UHFFFAOYSA-N 376.272 1.615 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)O)CC2)cc1OCC 265269069 SWUZVMGOVKJHJK-CYBMUJFWSA-N 386.470 1.263 0 50 GDAA CN(C(=O)COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1nccs1 801239190 IQKAPJZQKBDUMA-CYBMUJFWSA-N 393.490 1.944 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2ccc(-c3cnn(C)c3)cc2)ncn1 1875398030 YGRAPHIMOXTIFI-RTBURBONSA-N 393.495 1.648 0 50 GDAA CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncn2-c2ccccc2)C1 1875362311 ZUWAAMHVWXNACV-SJLPKXTDSA-N 395.463 1.214 0 50 GDAA Cc1noc(-c2ccc(C(=O)N3CCc4c(cnn4C)[C@@H]3C(=O)N(C)C)cc2)n1 1875394529 LMCBGWPONYITLF-QGZVFWFLSA-N 394.435 1.606 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2ccc(-c3ccccn3)nc2)ncn1 1875397491 BUKXOKXPNRWOPS-IAGOWNOFSA-N 391.479 1.705 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](C)c2ccccc2-n2cccn2)ncn1 1875400029 PGEUJGNOTCMLKR-GVDBMIGSSA-N 393.495 1.994 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccoc4C)CC3)[C@@H]2C1 1775961993 MPOKWBHUWNQNQX-CVEARBPZSA-N 375.425 1.634 0 50 GDAA N=c1nc(-c2ccccc2)c(C(=O)N[C@@H]2C[C@H](C(=O)N3CCCC3)C[C@H]2O)c[nH]1 2100473772 YSVAPGYALRUHBO-USXIJHARSA-N 395.463 1.048 0 50 GDAA O=C(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCCO2 2325773705 VJHQVWVUZPZIEA-UHFFFAOYSA-N 389.355 1.944 0 50 GDAA CCOC(=O)c1nn(C)c2c1CN(c1ccnc(N[C@@H]3CCCNC3)n1)CC2 2325800394 BZXXXTGSSMDJAK-CYBMUJFWSA-N 385.472 1.113 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)C1 2325889205 FNOXNDDNSBMCEV-KBPBESRZSA-N 377.514 1.717 0 50 GDAA NS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cnc4cnccn34)cc2)CC1 2356144353 TVWDPLHRXWXEKN-UHFFFAOYSA-N 385.449 1.289 0 50 GDAA O=C(CN1CCCS1(=O)=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 110979568 ZPXSUTVRBXKMHB-ZDUSSCGKSA-N 387.452 1.081 0 50 GDAA O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 55696584 PGXKQHFBMFZBTD-QGZVFWFLSA-N 375.432 1.932 0 50 GDAA O=C(CC1=CSC2=NCCCN12)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 102691380 LUFFCJDYFKTLMF-LSDHHAIUSA-N 384.509 1.944 0 50 GDAA NCCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nn1 67473278 ILCBYYAGICNSGI-UHFFFAOYSA-N 383.431 1.786 0 50 GDAA O=C(N[C@H]1CN[C@H](C(=O)NCc2cccc(-n3cccn3)c2)C1)c1ccco1 67742383 XGVCLMHKYYFJJU-WBVHZDCISA-N 379.420 1.242 0 50 GDAA CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)O)C(C)C)n2)cc1 61720758 XSXPLPSBEQBRKU-KRWDZBQOSA-N 375.450 1.858 0 50 GDAA C[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252458363 CHLXAXYPDJEWMZ-RBSFLKMASA-N 380.448 1.951 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 12429734 IJBFRHQKFKZCCX-LJQANCHMSA-N 383.496 1.234 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3-c3nnn[nH]3)CC2)c1 72480021 HDUUIEBPZKUTTD-UHFFFAOYSA-N 392.419 1.474 0 50 GDAA Cn1nc(C(=O)N[C@@H](Cc2ccncc2)C2CC(O)C2)c2ccccc2c1=O 219358114 APHUBNYSEGJSTL-JMLCCBQJSA-N 378.432 1.441 0 50 GDAA c1ccc(-c2ccc(N3CCCN(Cc4nnc5n4CCOC5)CC3)nn2)cc1 366672286 VRULJHFNQLZARC-UHFFFAOYSA-N 391.479 1.978 0 50 GDAA CCN(CC)C(=O)c1ccc(NC(=O)CN2CCNC[C@H]2c2nccn2C)cc1 261860484 ZGQZYXFYEZGSBU-SFHVURJKSA-N 398.511 1.487 0 50 GDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(c3cnccn3)CC2)C1 71748392 IIIXJMGHXINDHO-GOSISDBHSA-N 380.496 1.869 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](C)O)C2 77356517 WUTGUBSFECMTGN-CQSZACIVSA-N 380.510 1.763 0 50 GDAA CCN1CC2(CCN(S(=O)(=O)c3ccc(C(=O)OC)cc3)CC2)CC1=O 77454069 IXVBWGQHTOBHBJ-UHFFFAOYSA-N 380.466 1.496 0 50 GDAA CCCCN1CCN(Cc2ccc(-n3cccn3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72476244 AVUILLORCWXCNW-UXHICEINSA-N 388.537 1.956 0 50 GDAA O=C(O)c1cc(-n2nnc3ccccc32)cc(S(=O)(=O)N2CCOCC2)c1 71753017 GUGRTFALIOBOJL-UHFFFAOYSA-N 388.405 1.140 0 50 GDAA Cc1cccc2c(=O)n(CC(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)cnc12 455907788 GVDONWALQBUPJU-UHFFFAOYSA-N 395.419 1.463 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)CCC(=O)NC3CCCC3)cc2C1 82097697 NEUDDWYSNCHCEY-UHFFFAOYSA-N 375.517 1.810 0 50 GDAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 263299714 GKTFTBRQUACDAV-JSGCOSHPSA-N 375.404 1.718 0 50 GDAA O=C(Cn1cc(C(=O)O)nn1)NC1(c2ccc(Br)cc2)CCC1 263332064 MHJZFZHIFXFHAE-UHFFFAOYSA-N 379.214 1.934 0 50 GDAA COc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)N2)cc1 18227676 GBTSWMMDHHZRMZ-HNNXBMFYSA-N 396.403 1.762 0 50 GDAA CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@@H](C)CN2CCN(C)CC2)no1 177562295 FWPRGDUXMNYYFL-HZPDHXFCSA-N 378.521 1.923 0 50 GDAA CC(=O)N1CCCn2nc(CNC(=O)[C@@H](c3cccc(F)c3)N(C)C)cc2C1 82097663 OTVUBPXUPVZPKT-LJQANCHMSA-N 387.459 1.694 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)c3nn(C)c(C)c3Cl)C2)CCC1=O 91486676 QLVBZKMKBAWTLT-GOSISDBHSA-N 382.892 1.873 0 50 GDAA CSCCC(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 20996922 YFIAKSVNJUCLES-WOJBJXKFSA-N 391.581 1.562 0 50 GDAA COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239173790 OQVACCQQLSQPAS-HXXCKNJQSA-N 395.411 1.474 0 50 GDAA O=C(O)CCCNC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 238881511 AIRVSLKMAFLAIP-HDJSIYSDSA-N 387.436 1.890 0 50 GDAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COCCO3)c2)CC1 95511620 AZUFFZMEHFVNRG-MRXNPFEDSA-N 380.466 1.173 0 50 GDAA CCc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 95528586 NECVOQRSGNGASM-UHFFFAOYSA-N 394.479 1.688 0 50 GDAA O[C@@H](COc1ccc(CN2CC(N3CCOCC3)C2)cc1)CN1CCCCC1 95527169 AOJJCDCKNHEBSQ-OAQYLSRUSA-N 389.540 1.429 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cn2)C[C@H](C)O1 298378276 BGVHBRFTTGTVKR-STQMWFEESA-N 390.465 1.595 0 50 GDAA O=C(Nc1nc([C@H]2CCCO2)n[nH]1)C1CCN(c2ccc(Cl)nn2)CC1 252492673 MSCDJMCUNPOGLJ-LLVKDONJSA-N 377.836 1.955 0 50 GDAA CSCC[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O 252535891 HCCFPYNEQOYOSC-ZIAGYGMSSA-N 399.900 1.585 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 614659959 LJGLGAVKJHXSAT-CQSZACIVSA-N 377.408 1.353 0 50 GDAA Cc1cccc(C2(C(=O)O)CCN(C(=O)N3CCS(=O)(=O)CC3)CC2)c1 370472871 XBIJJFIDCZMMEF-UHFFFAOYSA-N 380.466 1.264 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)NCc2nncn2CCc2ccccc2)c1C 670461951 RKNXNQRDMQEQHE-UHFFFAOYSA-N 380.452 1.853 0 50 GDAA O=C(Cc1ccc(NC(=O)c2cn(C[C@H]3CCCNC3)nn2)cc1)NC1CC1 952988525 JJPPHHBWILMAII-HNNXBMFYSA-N 382.468 1.351 0 50 GDAA O=C(Cc1cc(F)cc(F)c1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888090633 LQEHPXIOPVLWEL-CVEARBPZSA-N 387.430 1.905 0 50 GDAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 952872854 QIZFPSCBGDSRBE-HXUWFJFHSA-N 389.459 1.991 0 50 GDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCc1csc(N)n1 1565525940 KYOACWMVNKIXRY-GJZGRUSLSA-N 380.470 1.753 0 50 GDAA CC(C)[C@@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)N1CCCS1(=O)=O 187215878 JBYNERNWHCUDOW-INIZCTEOSA-N 391.497 1.995 0 50 GDAA CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 190594436 QUPFVDWNYYLNGS-OAHLLOKOSA-N 380.445 1.683 0 50 GDAA COc1cc(Cl)cc(C(=O)NCC2CCN(CCS(C)(=O)=O)CC2)c1 1506419770 WRGCJEXHOSVLRR-UHFFFAOYSA-N 388.917 1.835 0 50 GDAA CC(=O)c1ccc(C(=O)NCC2CCN(c3cc(O)nc(N)n3)CC2)s1 1506397755 HBGFCFNOVUNQML-UHFFFAOYSA-N 375.454 1.675 0 50 GDAA Cc1cccc(OC(C)(C)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704342394 AYQJPZYDQLDKTQ-HOCLYGCPSA-N 384.498 1.175 0 50 GDAA O=C(NCCCN1CCCC1=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772805640 NPZGDQVFQQNCNC-CQSZACIVSA-N 392.525 1.213 0 50 GDAA O=C(CN1C(=O)CSC1=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 12469506 ICWFUKSOXDFMFS-MRXNPFEDSA-N 375.494 1.895 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)c(F)cc3F)CCN2C1=O 14540998 SRBFEDSLJHQYCK-HUUCEWRRSA-N 383.370 1.301 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCc1nc(-c2ccccc2)no1 14972112 PFKQUIASBAWBPV-KRWDZBQOSA-N 397.479 1.528 0 50 GDAA CSCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19222406 VUPMYAMJEXWZBF-KRWDZBQOSA-N 391.537 1.887 0 50 GDAA CSc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)cc1 19742423 GXFRDCAFFNNOAK-QGZVFWFLSA-N 391.537 1.596 0 50 GDAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cnccn4)ccn3n2)c(C)c1 169775774 WIEUIIGVQKNDML-UHFFFAOYSA-N 388.431 2.000 0 50 GDAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCc1cc(Br)c[nH]c1=N 1857530395 FMTZPZGVSAFEBL-RMLVOYDJSA-N 390.285 1.974 0 50 GDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ccc21 1875241399 CUOWZELEMREDLR-XYPHTWIQSA-N 393.509 1.126 0 50 GDAA Cc1nc2nc(=NC(=O)C[C@H]3NC(=O)c4ccccc43)[nH]n2c(O)c1CC(C)C 1875251599 YWEAJZBPTUMFRI-OAHLLOKOSA-N 394.435 1.572 0 50 GDAA CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 225834237 HOJMAMPRBOQPOE-UHFFFAOYSA-N 395.859 1.451 0 50 GDAA CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@H]1CO 913557147 UUFPETIRWGEHGM-SFHVURJKSA-N 377.448 1.683 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(Nc4ncnc5[nH]ccc45)cc3C2=O)C(=O)N1 1875289994 FBRXOQMGUAGIJT-CQSZACIVSA-N 376.376 1.463 0 50 GDAA C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCNc1ncnc2c1cnn2C 1875255828 CAWBOPZSCZQXRK-CYBMUJFWSA-N 387.488 1.367 0 50 GDAA C=CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)C23CCOCC3)cc1 1875370230 HBZRSGDNDXQCQC-OAHLLOKOSA-N 378.450 1.229 0 50 GDAA N[C@H]1Cc2ccc(C(=O)N3CCC(c4ncc5c(n4)CCNC5)CC3)cc2C1 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Cc1c(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)n[nH]c1-c1ccccc1 2356166076 NQLGLJOEKUWYQM-NRFANRHFSA-N 382.464 1.975 0 50 GDAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4704867 QIIZTDBLPZNKSI-UHFFFAOYSA-N 377.441 1.938 0 50 GDAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 6702848 KWHZWRPJKXWWKA-UHFFFAOYSA-N 389.477 1.613 0 50 GDAA CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55182894 NKHJSXMQORSKSJ-SFHVURJKSA-N 377.460 1.401 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)cn23)n(C)c1=O 8617913 ZMRKASWUNDWIDN-UHFFFAOYSA-N 381.436 1.710 0 50 GDAA COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 55088024 CODGUMUFPRISKC-QGZVFWFLSA-N 397.878 1.807 0 50 GDAA O=C(NCc1ccc(Cl)s1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 23338987 YJRISIYZDBDQDQ-CQSZACIVSA-N 399.944 1.979 0 50 GDAA CC(C)NC(=O)c1cn(CCN2CCN(CCCc3ccccc3)CC2)nn1 23158509 PXFRPLCZSDCKDG-UHFFFAOYSA-N 384.528 1.667 0 50 GDAA COc1ccccc1[C@@H](C)NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 252477831 WBYQUGYDOQTCAA-QAPCUYQASA-N 388.512 1.287 0 50 GDAA CCOC(=O)Cn1c(=O)ccn(-c2ncc(C(F)(F)F)cc2Cl)c1=O 1401557 LALIXYQZYFZWLR-UHFFFAOYSA-N 377.706 1.630 0 50 GDAA CN1C(=O)C[C@@H](CNCc2cnnn2C)[C@@H]1c1cnn(Cc2ccccc2)c1 328604203 IWCOTIBFBDVOMC-OXJNMPFZSA-N 379.468 1.369 0 50 GDAA C[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)C(=O)NCc1ccccc1 150925597 HEAQGMPGPWLKMY-GOEBONIOSA-N 385.443 1.804 0 50 GDAA CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O 332832269 SYLLQMFVMLYTTA-CQDKDKBSSA-N 379.457 1.605 0 50 GDAA C[C@@H](C(=O)N1CCOc2ccc(-c3ccc(C(N)=O)s3)cc21)S(C)(=O)=O 363439607 JWVUPVJBNOZJCH-JTQLQIEISA-N 394.474 1.673 0 50 GDAA CN(C)C(=O)COc1cccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1 363587967 FPTMDVJPRCQIAS-HNNXBMFYSA-N 385.468 1.984 0 50 GDAA CCOC(=O)c1noc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 459308996 LDKIYYKWVMRVEX-UHFFFAOYSA-N 376.388 1.734 0 50 GDAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCCN(C)C)CC3)CC2)n1 71753174 XAQRBVDIBCHFIK-UHFFFAOYSA-N 387.572 1.744 0 50 GDAA C[C@H](O)c1cn(C2CN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)C2)nn1 374836946 PIWNSTIZTDUBHT-LBPRGKRZSA-N 396.426 1.842 0 50 GDAA Cc1cc(CNC(=O)Cn2c(-c3ccco3)nn(-c3ccccc3)c2=O)no1 77379655 PHJCKWBQCUMNCM-UHFFFAOYSA-N 379.376 1.907 0 50 GDAA CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71715245 ZCEQKECWPQJGAN-QFIPXVFZSA-N 379.460 1.786 0 50 GDAA CN1CCC(N(CCc2ccccc2)S(=O)(=O)N2CCN(C)CC2)CC1 72158687 LZBQVZOZVXFXMV-UHFFFAOYSA-N 380.558 1.118 0 50 GDAA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC1CCN(c2ncccn2)CC1 175414422 ZVTPIWKMJXCLHQ-HXUWFJFHSA-N 395.507 1.853 0 50 GDAA C[C@H](CN1CCOCC1)NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1 20616463 OSUGMTAFJZSOAT-LLVKDONJSA-N 379.411 1.995 0 50 GDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 331399662 SCCDWXNHLMCHSC-SFHVURJKSA-N 386.496 1.932 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 426652945 NTRMEBXHJYUFDF-KRWDZBQOSA-N 394.410 1.704 0 50 GDAA O=C(c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1C[C@@H]2CCN[C@@H]2C1 97088278 MNJHSQMFLWKJIF-MAUKXSAKSA-N 377.510 1.732 0 50 GDAA Cc1nn(C)c(C)c1C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 91475657 JTYQFGZVGMUKFE-UHFFFAOYSA-N 375.517 1.443 0 50 GDAA CN(C)CC(C)(C)CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1 95353872 FLBBOQRCVSMWHH-HNNXBMFYSA-N 383.514 1.071 0 50 GDAA CC(C)c1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)nc2ncnn12 91663371 HREFBCLGSZXVJK-INIZCTEOSA-N 383.456 1.567 0 50 GDAA O=C(c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)N1CCOCC1 239338761 LEKVDIWKYKCQGN-LOXVXLSQSA-N 378.428 1.717 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)CSc1nc(C)n[nH]1)CC2 95504084 AOTDIYQERVIRSQ-UHFFFAOYSA-N 375.502 1.324 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(c3ccnc(N)n3)C2)cc1 95511992 GMHYGJNZRWAKHV-CYBMUJFWSA-N 377.470 1.262 0 50 GDAA CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2nc(C)c(CCC(=O)O)c2C)cc1 299747056 BZSPXCHGYBMJQB-GOSISDBHSA-N 398.463 1.857 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)C3CCC3)C[C@@H]1N(C(=O)c1csc(N)n1)CC2 534591666 OKWHEPQJXDXTJL-UVBSCNOISA-N 378.498 1.794 0 50 GDAA Cc1cc(C)n(CCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1 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COCC(=O)Nc1ccc(NC(=O)c2cn(C[C@@H]3CCCNC3)nn2)cc1C 1506419738 WDWBYFRMTHPGCI-CQSZACIVSA-N 386.456 1.423 0 50 GDAA Cc1ccc(OC(C)(C)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704358387 JTNNHYCFXCNPTG-GOEBONIOSA-N 384.498 1.175 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)cc1 210231409 JGTRFYWEVXSQPX-SJORKVTESA-N 378.425 1.464 0 50 GDAA O=C(NCCc1nccc(-c2ccccc2)n1)c1cc(N2CCOCC2)no1 1772812410 IJIHEJZNBQRMCM-UHFFFAOYSA-N 379.420 1.941 0 50 GDAA COCC1(C(=O)N2C[C@H]3CN(C(=O)CN)C[C@]3(CCc3ccccc3)C2)CCC1 1772700770 FCNVYKUYIMGHDA-AUSIDOKSSA-N 399.535 1.682 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1nc(-c2ccccc2)no1 11843188 URLRRTBLTXOKJI-HNNXBMFYSA-N 385.468 1.589 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1 12231339 LOZYWNPOWKIRHZ-UHFFFAOYSA-N 378.436 1.859 0 50 GDAA Cc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)C)CC2)c(C)c1 12433221 UKGYVTDWTBJSMZ-FQEVSTJZSA-N 386.540 1.799 0 50 GDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nn1 12456574 WPPOJZNIRDCBOI-QGZVFWFLSA-N 385.468 1.369 0 50 GDAA O=C(CSc1nc[nH]n1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 13496813 QEESRXJJXQEWQU-UHFFFAOYSA-N 391.438 1.126 0 50 GDAA Cc1ccc(F)c(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c1 14531572 BLSYEDALULFDNS-VQTJNVASSA-N 397.450 1.594 0 50 GDAA O=C(NCCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@H]1CCCO1 14969826 VMRIDTWOQKMSPH-NZURWCHMSA-N 385.468 1.280 0 50 GDAA CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(OC)cc1 19931898 XMOCIHQGTMXQAU-WBVHZDCISA-N 383.514 1.781 0 50 GDAA CC(=O)NCC12CC(C(=O)NCc3cc(F)cc(F)c3)(C1)C1(CCNCC1)O2 1857529653 MAVWOVMJXUFOMX-UHFFFAOYSA-N 393.434 1.389 0 50 GDAA Cn1nccc1[C@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCOCC2)C1 1857532551 AQUSXQJOOSGWCQ-RYRKJORJSA-N 377.489 1.004 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1c1ccc(F)cn1 1857667337 VWMOMSUNUQYSPM-CYBMUJFWSA-N 393.440 1.891 0 50 GDAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CN(Cc3cccnc3)CCO2)C1 1857678158 CJQFYGAOYVLTRL-JOCHJYFZSA-N 395.459 1.856 0 50 GDAA CC(C)C[C@@H]1[C@H](C(=O)NCc2ccccc2)C[C@@H]2CN(CC(=O)O)CC(=O)N21 1857682575 JRRDSOOFEKJVSQ-KZNAEPCWSA-N 387.480 1.335 0 50 GDAA O=C(C1CC1)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(Cc3ccccc3)CC2)C1 1857686873 GFOVCNNZLOKTPC-DENIHFKCSA-N 383.492 1.216 0 50 GDAA CN(C)c1nc2c(c(=NCCO)[nH]1)CCC21CCN(Cc2ccccc2)CC1 1857688012 OZOFJVORZCIJJU-UHFFFAOYSA-N 381.524 1.849 0 50 GDAA Cc1ccsc1-c1nnc2n1C[C@]1(CCN(C(=O)c3cnccn3)C1)OC2 1857702288 HKDZXGWRRVHYKQ-GOSISDBHSA-N 382.449 1.920 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N(C)CCc2ccccn2)C[C@H]1NC(=O)c1cn[nH]c1 1857704029 AJIMMSPGCGXASH-BMGDILEWSA-N 385.468 1.419 0 50 GDAA O=C(N[C@@H]1CN(c2cc(-n3cccn3)ncn2)CC[C@H]1O)C1CCCCCC1 1857716730 QDLNVDNXEGNYHV-IAGOWNOFSA-N 384.484 1.689 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)N3CCC(n4cnnc4)CC3)CC2=O)s1 1857720946 ROANKRASLRMVTM-LBPRGKRZSA-N 389.485 1.299 0 50 GDAA COc1cc(-c2nc(CNC(=O)[C@@H]3CCc4ncnn4C3)c(C)o2)ccc1O 1857727976 HXMVGYKMTKGOJM-CYBMUJFWSA-N 383.408 1.835 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC(c2nc(=N)[nH][nH]2)CC1 1857730802 XXDQNHCBMPHNGY-UHFFFAOYSA-N 384.469 1.713 0 50 GDAA CC(C)Cc1cc(CN2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)n[nH]1 248173375 UBPVJTNNSIMZTL-SJORKVTESA-N 382.530 1.074 0 50 GDAA NCCC(=O)NC[C@H]1CCCCN1C(=O)c1nc(C(F)(F)F)n2ccccc12 1875293017 ZPMQIAPNWUEGNY-GFCCVEGCSA-N 397.401 1.813 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCCc4c[nH]nc43)C2)c1C 1875397621 HQWOYNFNMWOOKU-CVEARBPZSA-N 383.500 1.764 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CC3(COC3)[C@](F)(C(=O)OCC)C2)cc1 1875365229 AJHJICGRDTYQPM-HXUWFJFHSA-N 390.411 1.233 0 50 GDAA Cn1nnc2c1CC[C@@H](NC(=O)NCCc1nccn1Cc1ccccc1)C2 888093988 RZYRURDIDSEZKF-MRXNPFEDSA-N 379.468 1.459 0 50 GDAA Cc1nc(CC2CCN(S(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)CC2)no1 1309881168 LRCBCMLDKGGKEU-UHFFFAOYSA-N 396.400 1.595 0 50 GDAA O=C(NC1(C2CCN(c3ncc(Cl)cn3)CC2)CC1)C1CS(=O)(=O)C1 1775993377 ZNPDNQHOBZSEOO-UHFFFAOYSA-N 384.889 1.040 0 50 GDAA CC1(C)[C@H](CNC(=O)c2ccnc3ccccc23)C[C@@H](C(=O)O)S1(=O)=O 2325875483 TZKNYZFFSANJGN-NHYWBVRUSA-N 376.434 1.631 0 50 GDAA CCNc1ccc(C)cc1C(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(F)n[nH]2)C1 2325878501 RUWIIUCMONXVGW-QWHCGFSZSA-N 389.431 1.294 0 50 GDAA O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1120046 DWYSLOFXRKSPID-UHFFFAOYSA-N 384.841 1.884 0 50 GDAA CC(C)N1CCCn2nc(C(=O)NCc3nc(-c4cccnc4)no3)cc2C1 65525889 SMYKWNXUVVKNBK-UHFFFAOYSA-N 381.440 1.872 0 50 GDAA CN(CCCC1CCCC1)C(=O)CCCn1nnnc1CN1CCOCC1 20598774 WHWPFCJMROFJHC-UHFFFAOYSA-N 378.521 1.714 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cc(C)on3)CC2)C1 71751965 GHCYEWGRTJVZGW-OAHLLOKOSA-N 378.473 1.062 0 50 GDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3cc(F)ccc3C)nn2)n1 72119169 YKBCSGCKNRPAEP-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 330141672 QCMMSJSBANNSIA-WMLDXEAASA-N 392.415 1.796 0 50 GDAA CCCNc1ncc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cn1 219436717 SPOSIXVDMZSDDU-IBGZPJMESA-N 396.499 1.716 0 50 GDAA CCN1CCN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 77504294 CYFNDZLMFZECFZ-MSOLQXFVSA-N 389.521 1.448 0 50 GDAA CNC(=O)c1cccc(CCNC(=O)NCc2ccc(-n3ccnc3)nc2)c1 363333594 KWUBOTZFKALYMY-UHFFFAOYSA-N 378.436 1.669 0 50 GDAA Cn1cc(C[C@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)cn1 369962671 ZMLDAQHPIKSVIF-QGZVFWFLSA-N 377.448 1.730 0 50 GDAA O=S(=O)(c1c(F)cccc1F)N1CCc2c(ncnc2N2CCOCC2)C1 71498675 YAMGMPJDLKUEJM-UHFFFAOYSA-N 396.419 1.338 0 50 GDAA Cc1cc(C(=O)N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c2c(C)nn(C)c2n1 426445667 SCTUYBNWJNTNFH-HUUCEWRRSA-N 381.440 1.063 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnc3c(c2)CCC3)cc1 426358646 RNWQABQBNCSCPZ-NRFANRHFSA-N 392.503 1.886 0 50 GDAA COCCn1cnnc1CCNC(=O)Nc1cc(F)cc2c1NC(=O)CC2 426434047 KQVOTMKIZDCFJC-UHFFFAOYSA-N 376.392 1.313 0 50 GDAA Cc1cnc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 92002846 XYSGAZCLHDGYHJ-UHFFFAOYSA-N 380.452 1.434 0 50 GDAA COc1ccc(N2CCN(C(=O)NCCc3nc(C)cc(O)n3)[C@H](C)C2=O)cc1 426669053 NPHAHQXYLZVTLQ-CQSZACIVSA-N 399.451 1.489 0 50 GDAA Cc1cnc(N2Cc3nnc(C4CCOCC4)n3[C@@H](Cc3c[nH]cn3)C2)nc1 95380855 YTVPWZWLLOXPIY-INIZCTEOSA-N 380.456 1.798 0 50 GDAA CN(CCSc1ccccc1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96160322 YCIPCVFXSRBVHH-SJORKVTESA-N 391.537 1.322 0 50 GDAA COC(=O)c1cnc2c(c1)n(Cc1nc3ncccn3n1)c(=O)n2CC(C)C 95515304 HAOLUHWXSPFCSF-UHFFFAOYSA-N 381.396 1.127 0 50 GDAA CCCNC(=O)c1cccc(S(=O)(=O)NCc2noc(C3CCC3)n2)c1 97766600 NTYVQHPLCXVAIN-UHFFFAOYSA-N 378.454 1.955 0 50 GDAA NC(=O)c1ccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1Cl 96179764 WZFVGTZLBANMAN-AWEZNQCLSA-N 380.876 1.749 0 50 GDAA Cc1nc2cc(CNC(=O)[C@H]3CNC[C@@H](C(=O)N4CCCC4)C3)ccc2n1C 91256026 KHZARXLVAKQGJU-SJORKVTESA-N 383.496 1.346 0 50 GDAA CCC(=O)N1C[C@H](NC(=O)c2ccc(C)cc2O)C[C@H]1C(=O)N(CC)CC 96148161 PBKWNRSUYRYLHJ-ZBFHGGJFSA-N 375.469 1.678 0 50 GDAA CN(C)CCN1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 181115146 KSGSXSMYKJVXBL-UHFFFAOYSA-N 388.560 1.623 0 50 GDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1NC(=O)c1ccccc1 254134005 HLPAFJDBUQIFPH-RVNRYEFKSA-N 385.416 1.631 0 50 GDAA O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(N2CCS(=O)(=O)CC2)CC1 183553951 NIFZOJVCNNOVDC-HUUCEWRRSA-N 398.475 1.790 0 50 GDAA O=C(O)CCN(C(=O)Cn1cc(Br)ccc1=O)C1CCOCC1 299749818 LSGYUBVNNAGPMG-UHFFFAOYSA-N 387.230 1.093 0 50 GDAA COc1ccc(F)cc1C(=O)N[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1O 299803174 ZHVCOIXPRIYKSR-HZPDHXFCSA-N 379.457 1.964 0 50 GDAA COCCc1noc(CNC(=O)N2CCC[C@H](OCc3cccnc3)C2)n1 584891108 AIXMIQIFPQXSOK-HNNXBMFYSA-N 375.429 1.544 0 50 GDAA CCCN1C[C@H](NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1=O 670473281 FREQZFWTYJISCG-SNVBAGLBSA-N 379.766 1.648 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCCN(c3ccncc3C)CC2)cs1 952980891 GCCOCPKTTLXNLP-UHFFFAOYSA-N 394.522 1.712 0 50 GDAA Cn1nc2c(cc1=O)CN([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 189481130 UDIBXUQKSQFAHM-SFHVURJKSA-N 388.418 1.608 0 50 GDAA COc1cc(CC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc(OC)c1OC 1529159452 QZFDGHCWECHSLI-OWCLPIDISA-N 390.480 1.970 0 50 GDAA CS(=O)(=O)N1CCCC[C@@H]1CCNc1ccc(C(=O)N2CCOCC2)cn1 1704300775 ZLWHHKYZEUIQIG-MRXNPFEDSA-N 396.513 1.170 0 50 GDAA CS(=O)(=O)N1CCCC[C@H]1CCNc1ccc(C(=O)N2CCOCC2)cn1 1704300772 ZLWHHKYZEUIQIG-INIZCTEOSA-N 396.513 1.170 0 50 GDAA CC1(C)CNC(=O)C2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)NC1 1772806817 GBJJORRAWUCLTI-UHFFFAOYSA-N 379.526 1.170 0 50 GDAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cccn1-c1cccnc1)CC2 14733029 IENKPVUXCRGRTR-UHFFFAOYSA-N 397.479 1.747 0 50 GDAA COc1ccc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3OC)C2=O)cn1 206228394 XXRQLBYGWIYTQV-CQSZACIVSA-N 384.392 1.548 0 50 GDAA Cc1cc(=O)cc(C(=O)N[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)C2)o1 1857666977 UCOMTEWQGPPKRP-UONOGXRCSA-N 376.434 1.578 0 50 GDAA O=C([C@H]1CCc2ncnn2C1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1857700470 IEQBAWZYEUDAGI-VIFPVBQESA-N 387.391 1.060 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc(S(C)(=O)=O)cc4)[C@@H]2CC(=O)N13 1857718831 VGWRUHRDZFYGJJ-SCTDSRPQSA-N 378.494 1.648 0 50 GDAA OC[C@]1(Cc2ccc(F)cc2)CN(c2nnnn2-c2ccccc2)CC[C@@H]1O 1857721760 DWDUVNQZQJZFBG-ICSRJNTNSA-N 383.427 1.594 0 50 GDAA CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CCC)c1=O 9229228 IWALGNIFYOBRKC-UHFFFAOYSA-N 392.437 1.620 0 50 GDAA biogenic,in-vitro O=C([C@@H]1C[C@@H]2CCCCN2C1)N1CC([C@@H](F)Cn2cc(-c3cncnc3)nn2)C1 1875358649 DDEHMXTUJKZJKO-JLSDUUJJSA-N 399.474 1.406 0 50 GDAA CCc1occc1C(=O)N[C@H](C)Cn1cc(CN2CCCC[C@@H]2C(=O)O)nn1 1875355353 HPGMWWQPHFUPNZ-CZUORRHYSA-N 389.456 1.691 0 50 GDAA CCCN(C)CCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C1 1875332585 ZTHUIAKWRGJWKP-KXBFYZLASA-N 385.512 1.800 0 50 GDAA C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)c1ccnn1CCc1ccccc1 888100765 QEDNUGJARFUAEA-IZHWHUGBSA-N 381.523 1.657 0 50 GDAA C[C@H]1CN(C(=O)CCNC(=O)c2ccc3n[nH]cc3c2)CCN1c1ccncc1 2325761320 HZULBKMOZNTMBU-HNNXBMFYSA-N 392.463 1.815 0 50 GDAA COC[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 2325816851 FSJFUJOYAJFMJL-DPMWRWFOSA-N 377.437 1.449 0 50 GDAA Cn1ccnc1[C@H]1CNCCN1CCNC(=O)c1cc2cc(F)ccc2cn1 2325857401 ALVHVAOMBGAZNG-GOSISDBHSA-N 382.443 1.484 0 50 GDAA O=C(NC1CC1)N[C@H]1CCN(c2ncnc3c2cnn3-c2ccccc2F)C1 893180208 CTJHHAALFQLCNU-ZDUSSCGKSA-N 381.415 1.995 0 50 GDAA Cc1cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)nc(C)n1 2356139975 OLTGOEOILYSZKV-FIKGOQFSSA-N 386.496 1.994 0 50 GDAA CCN1CCN(Cc2cnc(S(C)(=O)=O)n2Cc2ccccc2F)CC1 20992465 UTADJFJAUYBDOO-UHFFFAOYSA-N 380.489 1.612 0 50 GDAA CC[C@H]1C[C@@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)CCO1 420892559 JCAJSYOYEROOJO-GJZGRUSLSA-N 381.498 1.620 0 50 GDAA COc1cc(Cl)c(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1OC 20785673 NWRZULKPDPHUOR-IAGOWNOFSA-N 383.920 1.540 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccc(F)c3)CC2)C1 71755335 WITHTWUZVMRORJ-KRWDZBQOSA-N 391.487 1.905 0 50 GDAA Cn1ccnc1CN1CCC[C@@](O)(CNS(=O)(=O)c2cccs2)CC1 72158011 FQXIESUOJAFVHY-INIZCTEOSA-N 384.527 1.177 0 50 GDAA Cc1nnc(NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)s1 328615876 BCUONQFJFWDMIU-ZDUSSCGKSA-N 375.458 1.842 0 50 GDAA COc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1Cl 125053998 WUIWRCKQEXDIDK-MRXNPFEDSA-N 394.903 1.797 0 50 GDAA COc1cc2c(cc1CN1CCN(C(C)=O)[C@@H]3CS(=O)(=O)C[C@@H]31)CCC2 72479560 BHDUSSXJVLOROZ-ZWKOTPCHSA-N 378.494 1.014 0 50 GDAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCCCC4)n3)c(C)n2)CC1 36235743 JOCHJUBIXXJUKV-UHFFFAOYSA-N 383.500 1.668 0 50 GDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 373719330 LOHAMJGYRAWXRV-CXAGYDPISA-N 387.461 1.850 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C[C@H]1O)c1ccccn1 77459952 HFIMVPNSLHVKQT-IEBWSBKVSA-N 378.432 1.288 0 50 GDAA CCc1nccn1CC(=O)N1CCOC[C@H]1CC(=O)N(C)Cc1cc(C)no1 72424823 HDYFDTUDTFDPIM-OAHLLOKOSA-N 389.456 1.018 0 50 GDAA O=C(CN1CCNCC1=O)Nc1nccn1Cc1ccc(Br)cc1 236711690 NFWQSOYBUOQZMA-UHFFFAOYSA-N 392.257 1.064 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 33318373 YOINOMLDFBGSIT-UHFFFAOYSA-N 389.525 1.979 0 50 GDAA COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)CN1CCOCC1 39552643 PEORSCHZSPQBAJ-KRWDZBQOSA-N 382.526 1.316 0 50 GDAA CCn1c(-c2ccccc2)nn(CC(=O)NCc2noc(-c3ccco3)n2)c1=O 77565027 YOSOMUYKASPNDE-UHFFFAOYSA-N 394.391 1.691 0 50 GDAA COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(=O)NC(C)C 71384963 KBAUYJMPTUJAJX-UHFFFAOYSA-N 383.514 1.598 0 50 GDAA O=C(c1ccc([C@@H]2CCCN2C(=O)Cn2cncn2)s1)N1CCOCC1 82039430 LUVKAODVYCLLJT-ZDUSSCGKSA-N 375.454 1.176 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)N(C)C)CC1 95503139 SEZKMKAEOGUNDG-UHFFFAOYSA-N 379.457 1.596 0 50 GDAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(CCCn2cnnn2)C1 95509638 NFHOWEXRARSIKF-MRXNPFEDSA-N 380.456 1.600 0 50 GDAA Cc1noc(-c2ccc(NC(=O)NCCS(=O)(=O)N3CCCC3)cc2)n1 95502363 NVZZMGZBHQOYHR-UHFFFAOYSA-N 379.442 1.592 0 50 GDAA CC(C)Nc1cc(-c2cccc(C(=O)N3CCNC(=O)[C@H]3CCO)c2)ncn1 426405837 XTIJSLTWHRXQLM-QGZVFWFLSA-N 383.452 1.287 0 50 GDAA O=C(CCC1CCN(C(=O)[C@H]2C=CCN2)CC1)Nc1ccc2c(c1)OCCO2 95505086 PXGQBISZKKQDEC-QGZVFWFLSA-N 385.464 1.943 0 50 GDAA CC(=O)c1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)cs1 91643676 KMNPKRBQWKAQNY-IAGOWNOFSA-N 379.526 1.269 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc3ncccn3n1)CC2 95497172 ISYUXGWCRFIPTG-UHFFFAOYSA-N 393.451 1.379 0 50 GDAA COc1cccc(-n2cc(CN(C)Cc3nnc([C@H]4C[C@@H](N)C4)n3C)cn2)c1 244852641 UWDWRRYBBBCUGF-IYBDPMFKSA-N 381.484 1.846 0 50 GDAA COC(=O)c1cn(-c2ccc(CN3CCN(C)CC3)cc2)cc2c(=O)[nH]nc1-2 253413852 VVVUMNZRVKRDBK-UHFFFAOYSA-N 381.436 1.199 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C(=O)O)c1 299750183 MSGQKLNEHCCUPY-SPYBWZPUSA-N 376.478 1.809 0 50 GDAA C[C@H](NC(=O)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2)C(=O)N(C)C 534675251 AHHVJCBANGDHGL-AWEZNQCLSA-N 384.436 1.999 0 50 GDAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1c(O)nc2ccccc2c1=O 299754445 PXHCBHLTSADOAB-QAPCUYQASA-N 384.480 1.825 0 50 GDAA biogenic CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565508743 FBBCQDPSUGSGHB-SJORKVTESA-N 381.480 1.994 0 50 GDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)CSc2ccncc2)[C@@H](O)C1 1565511802 CWWTWQVXMQNDMB-IRXDYDNUSA-N 376.482 1.530 0 50 GDAA O=C(c1cc2ncccn2n1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 1565509334 LNMDXYRJGHGBPM-ZBFHGGJFSA-N 376.420 1.388 0 50 GDAA O=C1CSCN1CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275506179 CWCUGXDNNAGNMC-AWEZNQCLSA-N 376.482 1.194 0 50 GDAA Cn1c(O)ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1=O 276707991 ZTLHLVXMGBCKEN-JTQLQIEISA-N 383.235 1.801 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCO[C@@H]3c3nccn3C)C2)n(C)n1 278386816 MIVUJGFLAABBFW-ZOBUZTSGSA-N 387.488 1.260 0 50 GDAA CC(C)(NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCCC1)C(=O)O 170593450 DLLBHWRJAWKRBZ-UHFFFAOYSA-N 397.497 1.665 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N[C@@H](Cc1nnc[nH]1)c1ccccc1 170617759 FULJTMJDKNFFOG-INIZCTEOSA-N 379.420 1.643 0 50 GDAA CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1C 170617776 DFWRNKVWKHUKAD-HNNXBMFYSA-N 384.436 1.769 0 50 GDAA Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C2=O)cc1 194599674 IETFWTDTZPWAEY-GJZGRUSLSA-N 399.413 1.915 0 50 GDAA CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 765863106 ZHWMUXHBDGXPKC-SSHHRWTQSA-N 383.489 1.609 0 50 GDAA COCc1nnc(NC(=O)CN(C)C[C@@H]2Cc3ccccc3CN2C)s1 1529192219 SEIKNSWPNJZDHE-HNNXBMFYSA-N 375.498 1.612 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ncc[nH]2)c(C)c1C 12302546 LAXGUPRWCOKKMN-KRWDZBQOSA-N 399.495 1.384 0 50 GDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc(Cl)cc1 13548426 REIOKMONQGHFHF-GJZGRUSLSA-N 378.860 1.294 0 50 GDAA CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O 14749606 JASYOUBMDSZNPC-UONOGXRCSA-N 383.370 1.657 0 50 GDAA CN1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CC1 1857695763 WYEJDMJTEYFHDR-HNNXBMFYSA-N 385.493 1.256 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc3c(Cl)cccc3[nH]2)C[C@@H]1O 1857710472 YTVRSHFEWVGGML-BONVTDFDSA-N 385.873 1.146 0 50 GDAA CC(=O)NCCCC(=O)NC[C@H]1[C@H]2CN(CCC=C(C)C)C[C@]23CC[C@H]1O3 1857728419 AQXCMJXOHDYVQA-QEUVDIPISA-N 377.529 1.855 0 50 GDAA CCCCS(=O)(=O)NCC[C@@H]1COCCN1C(=O)c1cc(C)nc(C)n1 1857732028 YTZZOEZEJOIQEA-OAHLLOKOSA-N 384.502 1.044 0 50 GDAA COc1ccc2cc(S(=O)(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)ccc2c1 1857733512 MVRTWNFSAJVAMU-JQFCIGGWSA-N 376.478 1.988 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)cc2n1 1857739885 XGALFLMJVBMVQW-YRNRMSPPSA-N 383.452 1.544 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2onc3ncccc23)cc1OC 1875244397 ILAJDBNJHHFRLZ-IRXDYDNUSA-N 399.403 1.815 0 50 GDAA NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CC1CCCC1)NS2(=O)=O 601312 BKYKPTRYDKTTJY-CYBMUJFWSA-N 379.891 1.598 0 50 GDAA in-man Cc1cc(C)c(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 247875481 NUKNYZCSRWSJNJ-RBUKOAKNSA-N 388.537 1.818 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)c1ccccc1 262435877 NAXONFWINMJBRP-BXUZGUMPSA-N 395.437 1.290 0 50 GDAA O=C1NC2(CCCC2)C(=O)N1CCN1CCN(c2cccc(F)c2F)CC1 265982422 GBTRALJADLJWRA-UHFFFAOYSA-N 378.423 1.951 0 50 GDAA NCCc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 841877244 ZIHMXVMFKAHAJU-LJQANCHMSA-N 381.480 1.573 0 50 GDAA C[C@@H](O)C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 837265537 GIGNAENQLFRYGL-OAHLLOKOSA-N 393.484 1.937 0 50 GDAA CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H]2C(=O)O)c(C(=O)O)c1C 952849054 FJSHISQDPGVDQG-SECBINFHSA-N 384.410 1.419 0 50 GDAA CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1ncn2C1CC(CO)(CO)C1 1875269232 ODROYDLONHWUBJ-UHFFFAOYSA-N 397.435 1.497 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)CCc4ccc(=N)[nH]c4)C[C@@H]32)o1 1875340423 AMRWZSRJOVOYQU-YESZJQIVSA-N 382.464 1.995 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2100545088 GVTLUCKSOSSFPJ-GOSISDBHSA-N 377.466 1.094 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325787827 ZERZJANAILQAOG-UWVGGRQHSA-N 375.244 1.109 0 50 GDAA CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCC(=O)NC(C)(C)C 679370 SVHMHIRZBSCPOK-UHFFFAOYSA-N 397.867 1.345 0 50 GDAA Cc1ccc(N2CCC[C@]3(CCCN3CC(=O)N=c3ccn(C)[nH]3)C2=O)cc1 2356147993 BKVYGKIEPQNJDM-OAQYLSRUSA-N 381.480 1.751 0 50 GDAA CCc1c(C)nc2nc(=NC(=O)[C@H](C)Oc3ccc(F)cc3F)[nH]n2c1O 2356148828 VBKJFCSWLTZCRV-VIFPVBQESA-N 377.351 1.807 0 50 GDAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCOCC1 7496632 UAKHLOSUOYUERT-UHFFFAOYSA-N 391.449 1.041 0 50 GDAA O=C1CN(Cc2cn(C3CCN(C(=O)CC4=CCCCC4)CC3)nn2)CCN1 55309958 PECWOCDOUPPJSQ-UHFFFAOYSA-N 386.500 1.264 0 50 GDAA CCn1c(C2CCN(C(=O)C[C@@H]3C(=O)Nc4c(C)cccc43)CC2)n[nH]c1=O 102367645 IZZCMMOZGZURAI-HNNXBMFYSA-N 383.452 1.732 0 50 GDAA CN(CC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)Cc1ccncc1 65529224 ZNARGXVRAINKKU-ZWKOTPCHSA-N 383.448 1.619 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCn2c(C(N)=O)cnc2C1 67587315 AOEBSGQFHSVQJO-UHFFFAOYSA-N 382.399 1.580 0 50 GDAA CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CCNCC1 125296410 VOXXCDUZYAZRPT-UHFFFAOYSA-N 375.288 1.677 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1 36092096 GBOZPTUSQOQWIN-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC(CN2CCOCC2)CC1 36190526 MWZXMCCKYYLCJS-UHFFFAOYSA-N 380.510 1.421 0 50 GDAA CCn1ncc(S(=O)(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)c1C 2804925 PBAMNKRKEOMKQG-UHFFFAOYSA-N 392.441 1.269 0 50 GDAA O=C(CN1CCOC1=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1 72140134 GALHDOMJHIELPS-KBPBESRZSA-N 382.424 1.440 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc3c(c2)OCO3)cn1 328644896 ZMYKYXJZMQTEOX-CQSZACIVSA-N 377.422 1.244 0 50 GDAA O=C(c1cc[nH]n1)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 77470230 PKHCOWGWTQNHBY-UHFFFAOYSA-N 383.433 1.804 0 50 GDAA O=C(c1ccncc1)N1CCC[C@H](C(=O)N2CCC(N3CCCNC3=O)CC2)C1 333346064 URRNUDRANMPTJZ-KRWDZBQOSA-N 399.495 1.340 0 50 GDAA C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(c2nc[nH]n2)CC1 378060452 PDBOULSPQMWGHC-APWZRJJASA-N 382.512 1.763 0 50 GDAA CC1(Cn2cc(C(=O)N3CCc4c(cccc4N4CCOC4=O)C3)nn2)COC1 371962407 VZCKJRDDSLXTFU-UHFFFAOYSA-N 397.435 1.470 0 50 GDAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1CC[C@@](C)(C(=O)O)C1 263076670 QQMTYJDFKKRKLP-DNVCBOLYSA-N 375.425 1.933 0 50 GDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@H](CC(C)C)C(N)=O)C1 71730634 SPTBZTAAVZMVHP-MRXNPFEDSA-N 382.468 1.755 0 50 GDAA Cn1c(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cccs3)nc2n(C)c1=O 288544206 HTOURZHETWIYIT-AWEZNQCLSA-N 384.461 1.917 0 50 GDAA Cc1nn(C)cc1[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 426428415 VLEQSWHDXOGQLM-LLVKDONJSA-N 376.438 1.141 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)[C@@H](c3cccnc3)N3CCOCC3)CC2)nc1 97446973 JYZNRXISLROSRG-HXUWFJFHSA-N 396.491 1.669 0 50 GDAA COc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1Cn1cncn1 97514411 IHFOYITWQWTYMD-INIZCTEOSA-N 378.498 1.592 0 50 GDAA Cc1cnc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)cn1 91829324 FAYUWYNUCGJHMH-UHFFFAOYSA-N 382.468 1.596 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H](C)n1cc(C)cn1)CC2 95358122 OQLQLJDWRDLLJJ-AWEZNQCLSA-N 397.483 1.405 0 50 GDAA NC(=O)NCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 95498167 JAZZLOPTENXMRV-GFCCVEGCSA-N 382.411 1.268 0 50 GDAA O=C(Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21)c1ccc(Cl)cc1 239591426 BBIQJNCBGZWQCL-UHFFFAOYSA-N 395.820 1.897 0 50 GDAA O=C(C[C@H]1COCCN1)N1CCC(c2nccn2Cc2cscn2)CC1 95510784 KABZOZIPANFDDX-HNNXBMFYSA-N 375.498 1.472 0 50 GDAA N[C@H]1C[C@H](c2cc(NCCNS(=O)(=O)c3ccc(Cl)cc3)ncn2)C1 244828650 UACKTQQVSQXLGA-AULYBMBSSA-N 381.889 1.725 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)c3cnccn3)C[C@@H]1N(Cc1cnn(C)c1C)CC2 534587181 XXTYKNLNGURGKA-IMFGXOCKSA-N 384.484 1.461 0 50 GDAA O=C(c1cn2c(n1)CCN(Cc1cnc3ccccn13)CC2)N1CCC[C@H](O)C1 1940193684 HZNIDAIYDKHAFR-KRWDZBQOSA-N 394.479 1.186 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccncc2)C[C@H]1O)c1ccc(Cl)cc1 1940196646 XOVKEUWMYNXDMO-CGTJXYLNSA-N 387.867 1.963 0 50 GDAA CCCN1CCC(N2C[C@H](NC(=O)c3cccs3)C[C@H]2C(=O)OC)CC1 299780100 MEBOJBBMVMQHMP-ZBFHGGJFSA-N 379.526 1.968 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCC[C@H]1CO 670455922 JEESECXELWEMIZ-KRWDZBQOSA-N 378.498 1.306 0 50 GDAA Cn1cccc1-c1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)n[nH]1 1565508628 KATLVFPDAHEEIX-KXBFYZLASA-N 381.436 1.914 0 50 GDAA CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OCC(=O)O 268912491 OEDBUFXHDIPSRD-UHFFFAOYSA-N 386.408 1.301 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 275584927 HCLRIDUEBSWNDG-LLVKDONJSA-N 389.221 1.446 0 50 GDAA Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cn1C 1506408223 WBMYKQUHRAVXKZ-ZDUSSCGKSA-N 381.440 1.006 0 50 GDAA O=C(C1CCN(C(=O)C2(N3CCOCC3)CCCCC2)CC1)N1CCCC1 1506421193 GLCVQYGBCLGMDW-UHFFFAOYSA-N 377.529 1.883 0 50 GDAA Cc1nn(C)cc1NC(=O)CN1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704345342 XORPAIVIVPNVAX-HXUWFJFHSA-N 383.500 1.503 0 50 GDAA CN(C)C[C@@]12CN(C(=O)CCc3cnccn3)C[C@@H]1CN(C(=O)c1ccco1)C2 1772711649 AZSDNNXVSAAFOX-IERDGZPVSA-N 397.479 1.165 0 50 GDAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CNC(C)=O 12091326 QEFFNRHIUHQGPK-UHFFFAOYSA-N 379.476 1.649 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1 12297251 NZMQKORMDSUKEN-JOCHJYFZSA-N 396.491 1.917 0 50 GDAA CN1CCn2nc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)cc2C1=O 1857681369 BGMPBQFDXLSHLN-UHFFFAOYSA-N 380.408 1.072 0 50 GDAA Cc1noc(C)c1C(=O)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(N)=O)C[C@@H]2C1 1857691316 GFNCWYHQXMDTLQ-IIDMSEBBSA-N 382.420 1.191 0 50 GDAA COCC(=O)N1CCC2(CCc3c2nc(C)[nH]c3=NCCc2cnc[nH]2)CC1 1857691362 HYYJYSYPXBGAFU-UHFFFAOYSA-N 384.484 1.037 0 50 GDAA O=C(N[C@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2 1875242285 QVRWYPANJAOCTB-INIZCTEOSA-N 383.427 1.954 0 50 GDAA COc1cccc(OC)c1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1875250808 JAAUOQOJHHZKLP-SNDIGXPUSA-N 383.444 1.913 0 50 GDAA Cc1ccc2ncccc2c1CN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)O)C1 248336533 OTEDNKFJKGXMCD-LIRRHRJNSA-N 389.477 1.321 0 50 GDAA Cn1ncc2cnn(C[C@@](C)(O)c3ccc(Br)cc3F)c2c1=O 834369650 XJFJEQXGMHVOOX-OAHLLOKOSA-N 381.205 1.939 0 50 GDAA CNCC(=O)N1CCCc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)C4CC4)C3)cc21 1875294921 YKZGKHLZJPRRMD-YOEHRIQHSA-N 398.507 1.771 0 50 GDAA CC(C)Oc1ccc(C(=O)NCC23CC(C(N)=O)(C2)C2(CCNCC2)O3)cc1 1875393421 NGPUWPVOBAMLLH-UHFFFAOYSA-N 387.480 1.360 0 50 GDAA CCC(CC)C(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(C)CC=CC2)C1 1775996625 ATGLTUBROCMPRG-MRXNPFEDSA-N 384.542 1.911 0 50 GDAA COc1ncccc1CCNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2100534425 HRCIEVOUTCGKTI-MOPGFXCFSA-N 396.447 1.275 0 50 GDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCc2ncccc2C1 2100544767 IYAJCTNAGVSRPX-UXHICEINSA-N 378.432 1.492 0 50 GDAA CCn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 2325785802 OCXNLJHSXXCFGF-BMGDILEWSA-N 380.452 1.731 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1 813999 IULZKBCNPPILCV-UHFFFAOYSA-N 399.465 1.511 0 50 GDAA C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2n[nH]c(C(F)(F)F)n2)C1=O 170625699 MXHCYYDXOXGEAO-MRXNPFEDSA-N 395.341 1.869 0 50 GDAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)N[C@H]1CCCCNC1=O)C2 12047537 CZXDASQKJCXOEF-YOEHRIQHSA-N 375.469 1.453 0 50 GDAA NC(=O)CO[C@@H]1CCN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1 229412576 CVQCBNABBGUYCL-DNVCBOLYSA-N 391.468 1.669 0 50 GDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)CC1 24609415 YPLUIIYFAKBRRD-UHFFFAOYSA-N 393.553 1.701 0 50 GDAA O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cc(F)ccc1F 67621991 WKHOJNLTZIWILW-UHFFFAOYSA-N 380.380 1.331 0 50 GDAA O=C(NN1CCOCC1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2774998 SEYAWTMLVSAXEU-UHFFFAOYSA-N 381.314 1.985 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2CCCN2C(=O)C(C)(C)N=C2O)n1C 328639011 PILRNGWZKFCJJV-HNNXBMFYSA-N 389.500 1.837 0 50 GDAA COc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1C(=O)O 77342755 LYKYWZDRESNQGO-UHFFFAOYSA-N 387.484 1.963 0 50 GDAA CC(C)n1ncc2cc(CN[C@H]3CCCN(c4nccn(C)c4=O)C3)cnc21 328631769 KWFJPZRFFVURFR-KRWDZBQOSA-N 381.484 1.865 0 50 GDAA Cc1cccc(N2CCC(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1 215696471 HEVCULKPLZDQOR-UHFFFAOYSA-N 378.432 1.924 0 50 GDAA CCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38522450 AYIXXFLZXMFLRU-UHFFFAOYSA-N 397.479 1.674 0 50 GDAA CC[C@H](O)C(=O)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71775674 FQBKUWXTZFEWOM-KRWDZBQOSA-N 384.436 1.071 0 50 GDAA Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(C[C@H]1CCOC1)CCN2C 216331731 QIADQAZTRQDTJE-QGZVFWFLSA-N 376.501 1.550 0 50 GDAA O=C(Cc1cccnc1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71764292 YHMJEEBXFTVGHJ-IBGZPJMESA-N 384.524 1.950 0 50 GDAA O=C1NCCN1[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 362904742 CSRBTTMRQGPXTH-KRWDZBQOSA-N 375.444 1.890 0 50 GDAA O=C(O)c1ccc(CCNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cc1 364034532 CIHUAKAZHCYMTE-UHFFFAOYSA-N 380.466 1.248 0 50 GDAA COc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 215841734 SRFOXHGKLHSRJL-UHFFFAOYSA-N 377.466 1.887 0 50 GDAA Cc1nn(CC(=O)NCc2ccc(O)cc2)c(=O)n1-c1ccc2c(c1)OCO2 77539748 SYTLGMVRKCULSP-UHFFFAOYSA-N 382.376 1.093 0 50 GDAA Cn1ccnc1CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82160708 FQEJRTNRRKHCLQ-LJQANCHMSA-N 396.539 1.808 0 50 GDAA CCC1(C)CN(C(=O)NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)C1 291928246 ZGDQNFLWYSOQBT-MAUKXSAKSA-N 391.516 1.706 0 50 GDAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-c1nnn[nH]1 220444124 AVBNSZMDHSKQAU-HUUCEWRRSA-N 386.437 1.427 0 50 GDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)n1 426510518 XBCWGCDCLPFVLU-OAHLLOKOSA-N 376.457 1.466 0 50 GDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(N2CCNC2=O)c1 44904273 GOHOOZJZEHYPRQ-UHFFFAOYSA-N 377.404 1.725 0 50 GDAA NS(=O)(=O)c1cccc2c(C(=O)N3CCN(C4CCCC4)CC3)nccc12 179417038 NVPQVMMVICHJFQ-UHFFFAOYSA-N 388.493 1.583 0 50 GDAA Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cc1O 91320253 CUNCCPXAAXYAEO-MSOLQXFVSA-N 389.496 1.644 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCC(CCC(N)=O)CC3)ccc21 95382528 RZPILZRSAJBKMV-INIZCTEOSA-N 399.495 1.262 0 50 GDAA Cc1nccn1CCC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95378786 JJPUBEOWRZZTAT-MRXNPFEDSA-N 382.472 1.361 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3cc(C(C)C)oc3C)C[C@@H]2C1 91651454 KMFYKXFFLHCABI-YWZLYKJASA-N 378.469 1.783 0 50 GDAA C[C@H](CCn1cccn1)NC(=O)N1CCC(C(=O)NCc2ccccn2)CC1 426734539 RUHXHZYHMVGHKP-MRXNPFEDSA-N 384.484 1.795 0 50 GDAA O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1Cc1ccco1 230277543 LZQCZNAGXAVXAF-OWCLPIDISA-N 381.432 1.436 0 50 GDAA biogenic O=C1CCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CN1CCc1ccncc1 91635897 VCQIFTUHUSZJNL-UHFFFAOYSA-N 395.463 1.252 0 50 GDAA CCOc1ccccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 92107335 AHFWXVRDLGTXPY-QUCCMNQESA-N 389.540 1.936 0 50 GDAA O=C(NCCc1nc(-c2ccccc2)no1)[C@H](c1cccnc1)N1CCOCC1 95353221 DQLIHTVXHDRJGY-IBGZPJMESA-N 393.447 1.864 0 50 GDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 91548100 KRFMCFHZBZMKGO-HXUWFJFHSA-N 385.420 1.137 0 50 GDAA COc1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cc1O 96130268 QAPPXNCOPHMCDC-YWZLYKJASA-N 376.453 1.398 0 50 GDAA Cc1noc(C)c1CN1CC2(CCN(c3nc(C(N)=O)cs3)CC2)CC1=O 91830313 YDHYSBLXQFYSPM-UHFFFAOYSA-N 389.481 1.866 0 50 GDAA CCCc1nc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cs1 91713072 DURCLXKLCSBWHC-UHFFFAOYSA-N 376.486 1.719 0 50 GDAA CCN(CC)[C@H](CNC(=O)N1CCc2c(c(CO)nn2C)C1)c1ccco1 534581710 YPPCYCYAZXSMHM-QGZVFWFLSA-N 375.473 1.656 0 50 GDAA CCN(CC)c1ccc2oc(=O)c(C(=O)NCCN3C(=O)C=CC3=O)cc2c1 263621880 HNHRGPXWPRFYMX-UHFFFAOYSA-N 383.404 1.294 0 50 GDAA O=C(c1cn2ccsc2n1)N1CC[C@]2(C1)C(=O)N(CCO)c1ccccc12 1940195518 UXMQGGOFWORSHP-LJQANCHMSA-N 382.445 1.519 0 50 GDAA COCCn1ccnc1CN1CCC[C@H](CNC(=O)c2oc(C)nc2C)C1 824466359 PYLUYWIFXCSLPY-MRXNPFEDSA-N 375.473 1.776 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)NCc2csc(-c3cnccn3)n2)cc1 827848501 RSJGHFNAENXBJP-UHFFFAOYSA-N 392.448 1.743 0 50 GDAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCN(c4cnccn4)C[C@@H]3O)n[nH]2)cc1 1565510242 MYCJZUIDYISISF-YJBOKZPZSA-N 378.436 1.545 0 50 GDAA O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 952970051 BNUCGOQWHWFYPX-MRXNPFEDSA-N 377.404 1.797 0 50 GDAA CC[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CCN1CCOC 187240322 SGROOHABRQAOTL-KRWDZBQOSA-N 390.509 1.875 0 50 GDAA COc1nc2c(cc1CN1C[C@H](Cc3cnccn3)[C@@H](O)C1)C(=O)N(C(C)C)C2 1616072947 LZRAZDZFWHZNDJ-LIRRHRJNSA-N 397.479 1.280 0 50 GDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1506400137 UJBKTLHULKLBDR-OAHLLOKOSA-N 392.419 1.558 0 50 GDAA CC(=O)N[C@@]1(C)CC2(CCN(Cc3cnn(-c4ccccc4)c3)CC2)OC[C@@H]1O 1772711665 CDSFXONZKIXWPE-SFTDATJTSA-N 398.507 1.883 0 50 GDAA Cn1c(C(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)cc(=O)n(C)c1=O 12705306 UXODVEPTBGCEKK-LBPRGKRZSA-N 399.476 1.093 0 50 GDAA COc1cccc(C(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 14742891 OCOVJTBCXQATTA-RTBURBONSA-N 393.443 1.089 0 50 GDAA O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19907452 PLABTXQCACVQGC-HXUWFJFHSA-N 382.416 1.900 0 50 GDAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(Cc4coc(C)n4)CC(=O)N23)cc1 1857687008 MYVHYLKCDDXLSZ-SZVBFZGTSA-N 384.436 1.251 0 50 GDAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C)C[C@@H]3CN(c4cnccn4)CC(=O)N23)cc1 1857698948 BKQRPDQUJMGFNC-WRWLIDTKSA-N 395.463 1.352 0 50 GDAA NC(=O)[C@H](NC(=O)c1cnn2c1OCCC2)c1cccc(Br)c1 367932324 ZSQGOJTWVRWCCJ-GFCCVEGCSA-N 379.214 1.385 0 50 GDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C 498922688 LSIZPEDGGGMFLI-BBRMVZONSA-N 385.390 1.985 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC(C(=O)NC)CC2)(c2ccccc2)CC1 847305896 NPRWNASPJROKDW-UHFFFAOYSA-N 383.492 1.717 0 50 GDAA NCc1ccc2nc(C(=O)N3CC[C@H](S(=O)(=O)Cc4ccccc4)C3)cn2c1 1875277783 GCNNWLDPGHPPEF-KRWDZBQOSA-N 398.488 1.623 0 50 GDAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccccc2C(C)C)CCO1 1875316010 QOMVPMFJZPFLFU-KRWDZBQOSA-N 376.453 1.513 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)CC1 1875365381 NVMCEXJGDMUVGV-MRXNPFEDSA-N 379.482 1.326 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc3cccnc23)cc1 1875349642 HBGSJRCMRBRZTC-UHFFFAOYSA-N 384.417 1.494 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(n2cnc3ccccc3c2=O)C1 1875314689 MMCIDVRSWQMDTE-OLZOCXBDSA-N 393.447 1.849 0 50 GDAA COc1ccc2c(c1F)CCC[C@H]2NC[C@H]1C[C@@H](O)CN1c1cc(N)ncn1 1875400302 WFGDSOVHHLTHDK-XJKCOSOUSA-N 387.459 1.813 0 50 GDAA COc1cc(C)ccc1C(=O)N1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 1775991722 MLSOGWZQCWJAER-OXJNMPFZSA-N 388.468 1.315 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)nc1 1322472855 YRMHMHWPLJAXLC-KRWDZBQOSA-N 393.513 1.785 0 50 GDAA O=C(c1cccnc1)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 19890190 JTXDUSAZFSSLEX-KRWDZBQOSA-N 382.395 1.311 0 50 GDAA Cn1cc(-n2cnc(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c2)cn1 2325797988 DKSZFUWSDVTNOW-UHFFFAOYSA-N 380.452 1.815 0 50 GDAA CS/C=C/C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCCC3=O)C[C@H]1C 2325872264 PKAQRGJGSIIBIY-JDQXGDOCSA-N 376.482 1.703 0 50 GDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4cccc(F)c4)cccc3C2=O)C(=O)N1 1857798269 YJPAMUQPOUMQER-INIZCTEOSA-N 381.363 1.839 0 50 GDAA CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 2745917 DVVVUDWTFDENOC-UHFFFAOYSA-N 380.356 1.600 0 50 GDAA CN(C)c1ccc(-c2ccnc(NC[C@@H]3CN(S(C)(=O)=O)CCO3)n2)cc1 2356156310 VNBXFJAIEDZSSS-MRXNPFEDSA-N 391.497 1.282 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356164543 XEOWJTVKBGUXEQ-MRXNPFEDSA-N 391.497 1.159 0 50 GDAA COCCN(C)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cc(C)ncn1)C[C@H]2O 2356165117 UFROUYKTMXLYDI-UGESXGAOSA-N 382.508 1.944 0 50 GDAA COCCN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1=O 225759964 UHMLGWDDOBBEJQ-HUUCEWRRSA-N 397.516 1.633 0 50 GDAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 67742323 YGUOULADDPCZHH-QFIPXVFZSA-N 398.507 1.730 0 50 GDAA COCCc1noc(-c2nc3c([nH]2)C[C@@H](c2cccc(OC)c2)CNC3=O)n1 65463213 KUDYKWACTQDJRL-GFCCVEGCSA-N 383.408 1.727 0 50 GDAA Cc1cc(S(=O)(=O)NCCNC(=O)c2noc3c2CCCC3)c(C)s1 121899998 BEAFVQFOHPNPIO-UHFFFAOYSA-N 383.495 1.940 0 50 GDAA CN(Cc1cnc(N)nc1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67473051 TYVLSZHUUHXAQB-HXUWFJFHSA-N 375.517 1.815 0 50 GDAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1c(N)no[n+]1[O-] 1430310 UVNDHGMJTJTIFA-UHFFFAOYSA-N 385.302 1.551 0 50 GDAA O=S(=O)(Cc1ccc(F)cc1F)N1CC[C@](O)(c2nc(C3CC3)no2)C1 328611065 KFSCUKIZJAYBPU-MRXNPFEDSA-N 385.392 1.649 0 50 GDAA COc1cc(C)ccc1CN1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72478420 OIGHJVQLQJPWMS-DLBZAZTESA-N 378.494 1.223 0 50 GDAA C[C@@H](OCC(=O)Nc1ccc(-n2ncc3c(O)ncnc32)cc1)c1nccn1C 480893831 OOGWRGVPYCGROF-GFCCVEGCSA-N 393.407 1.971 0 50 GDAA CC(=O)[C@@H](C)CC(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 71681534 PFWYYDLVQFLWRA-NSHDSACASA-N 382.420 1.036 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)cn1 72125708 JSWACTSKMBMILV-INIZCTEOSA-N 384.436 1.550 0 50 GDAA CCC1(CC)CN(c2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CCO1 72419361 SMOSSRUZPIPIDK-AWEZNQCLSA-N 382.530 1.743 0 50 GDAA Cc1cccc(CCNC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 241634635 PNXPIMRSGLILBW-UHFFFAOYSA-N 376.478 1.803 0 50 GDAA CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 41154134 XHLSAYALIYGANQ-UHFFFAOYSA-N 398.872 1.678 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1Cc1ccncc1 91596000 OHVCOIBCMRIXJR-KRWDZBQOSA-N 382.439 1.918 0 50 GDAA CCOCCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccncn2)c1 95364126 GUBCNHFUAIBPMB-CYBMUJFWSA-N 378.454 1.282 0 50 GDAA CN1CCN(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)CC1 95508508 UYPZGZLDEINNBS-CQSZACIVSA-N 386.543 1.106 0 50 GDAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 95507824 UIZXIYRSBHIQOJ-INIZCTEOSA-N 399.495 1.152 0 50 GDAA CN(CC1(CO)CCC1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96160078 DNEPZJITFHLEJA-UHFFFAOYSA-N 378.473 1.274 0 50 GDAA O=C(NCCCn1ccc2ccccc21)c1cnc(Cn2cncn2)nc1O 91847098 LMLRTOCVMHSUNQ-UHFFFAOYSA-N 377.408 1.597 0 50 GDAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)o1 95497652 KNJPXWLCCGLFLF-OAHLLOKOSA-N 386.452 1.631 0 50 GDAA CN(C)CC(C)(C)CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95353871 FLBBOQRCVSMWHH-OAHLLOKOSA-N 383.514 1.071 0 50 GDAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1)c1ncnn1C 95378261 IYYJFTHJWZUENO-GFCCVEGCSA-N 377.470 1.527 0 50 GDAA O=C(CCc1cncc(F)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 180785273 GDYJYFYWHBYKFA-UHFFFAOYSA-N 396.466 1.887 0 50 GDAA COc1cc(S(=O)(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c(C)cc1C 253393919 PWVZGSONMFJNDR-JOCQHMNTSA-N 380.470 1.157 0 50 GDAA COc1ccc(F)cc1CN1CCN(C(=O)N[C@@H](C)Cn2cccn2)CC1 298742162 UTBUVZPHCQPYIH-HNNXBMFYSA-N 375.448 1.947 0 50 GDAA Cc1noc(CCNC(=O)C[C@H]2N=C(O)N(c3cccc4ccccc34)C2=O)n1 252501012 UBLAQMGJLOGDJD-OAHLLOKOSA-N 393.403 1.909 0 50 GDAA CNC(=O)Cn1cc(-c2cccc(C(=O)NCCCc3cnn(C)c3)c2)cn1 534673848 YZZVXWSZXRJFJB-UHFFFAOYSA-N 380.452 1.392 0 50 GDAA O=C(COc1ccc(N2CCCC2)nn1)NC[C@@H]1CCCN(c2ncccn2)C1 299766725 RPPCLVOGHKTZQJ-INIZCTEOSA-N 397.483 1.278 0 50 GDAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cnnn2)cc1 821810105 LMESTVXGVDVNNU-MRXNPFEDSA-N 376.464 1.898 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 952874153 XXECYVHGNSTGLO-IBGZPJMESA-N 396.539 1.723 0 50 GDAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cc2c(nc1O)CCC2 1565531164 ULJVCWZPDQNOQQ-HOTGVXAUSA-N 375.450 1.837 0 50 GDAA CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCc3nn(C)c(=O)cc3C2)ncn1 275604781 IELDVWNLXCMDPO-OXJNMPFZSA-N 384.484 1.749 0 50 GDAA C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccnc2-n2ccnc2)CC1 170595101 PRNWDFPMKWSHJB-MRXNPFEDSA-N 382.468 1.036 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n1 1529134030 WTIOBBSSCWGKKB-UXHICEINSA-N 395.463 1.278 0 50 GDAA CCn1ccnc1CNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772816214 ITZTVYRIBPYMLF-ZDUSSCGKSA-N 375.498 1.617 0 50 GDAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 5025269 AWUZLVIYRCFRBQ-UHFFFAOYSA-N 390.875 1.109 0 50 GDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc(F)c2)[nH]n1 12304963 BWKNCEJLZBRWAE-HNNXBMFYSA-N 391.399 1.922 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1cccc(Br)c1 12384325 WKJCWCYWGAZBJM-WBOJAVRRSA-N 399.237 1.835 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCC[C@@H](C(N)=O)C2)n1CC1CCCCC1 12439108 SYKRPPLFKLULEJ-OAHLLOKOSA-N 382.530 1.564 0 50 GDAA COc1ccc(CNCCc2cnccn2)cc1OC[C@@H](O)CN(C)C(C)C 14976028 KBSVRAOHJLNRGO-IBGZPJMESA-N 388.512 1.897 0 50 GDAA O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccc(Cl)cc1 19924314 VLAVBYVMMAUKRW-UHFFFAOYSA-N 378.845 1.706 0 50 GDAA COc1ccccc1Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccnn2C)n1 1857666359 DXDACZBZUJCWDJ-HNNXBMFYSA-N 390.451 1.922 0 50 GDAA CCOC(=O)c1ccc(N2CC[C@H](O)[C@H](NC(=O)c3c(C)noc3C)C2)nc1 1857680147 HGSRXFBUWNLGAC-CABCVRRESA-N 388.424 1.233 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC12CCOCC2 1857684077 YIYSLIJPWXDVEP-UHFFFAOYSA-N 379.482 1.057 0 50 GDAA CCSCC(=O)N1CCC[C@]2(C1)CN(c1ncc(CC)cn1)CC[C@H]2O 1857685647 NQGVZGFBRHIAIB-APWZRJJASA-N 378.542 1.972 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccnc2)C1 1857693906 RORMFMVZHYNGTO-RZUBCFFCSA-N 386.540 1.911 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CC(=O)N(c2nccs2)C1 1857719536 PCXZEMZUAKONLN-OAHLLOKOSA-N 396.476 1.647 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCCn3cnc(C)c3C)CC2=O)s1 1857722987 SKTVAKHAGPFSGM-ZDUSSCGKSA-N 376.486 1.473 0 50 GDAA Cc1ocnc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2F)C[C@H]1O 1875249088 FITFBLQECIGNBX-IACUBPJLSA-N 379.363 1.447 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1=O 161667632 UZXHGXMPYBPNDO-INIZCTEOSA-N 379.888 1.479 0 50 GDAA Cn1cc(S(=O)(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1C(=O)O 906973362 AWHWOCLLGFROOD-CHWSQXEVSA-N 376.438 1.466 0 50 GDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 1253330192 QZKMKDGYKGMWJB-INIZCTEOSA-N 377.466 1.409 0 50 GDAA COc1ccc(CCNC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)cc1OC 929130872 YYTXRBZBCXSPGU-JUJQQSPASA-N 376.453 1.436 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cncn3C(C)C)C2)c1C 1875397147 NONODDJNZFCPHD-MRXNPFEDSA-N 385.516 1.941 0 50 GDAA CN1[C@@](C)(CNC(=O)N2CCOCC[C@@H]2c2ccccc2)CCS1(=O)=O 1875404890 ZNTDCWVELATSJF-SJLPKXTDSA-N 381.498 1.584 0 50 GDAA COc1cc(Cl)cc2cc(C(=O)N3CCO[C@@H](c4nnn(C)n4)C3)oc12 2100539465 JTUUNVTULDRIII-CYBMUJFWSA-N 377.788 1.832 0 50 GDAA N[C@@]1(c2ccccc2)CCN(C(=O)C(=O)NCCc2ccnc3ccccc23)C1 2325775763 GGWHNTACLFWXEY-QHCPKHFHSA-N 388.471 1.980 0 50 GDAA NS(=O)(=O)c1cc(C(=O)N2C[C@]34CCC[C@]3(COC4)C2)cc2c1CCC2 2325781618 OWXZBPMVKMKCAY-KDURUIRLSA-N 376.478 1.465 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2c(C)nc(O)nc2C)C1=O 2356137789 ZOQAUDOYJLCHBI-FQEVSTJZSA-N 390.484 1.362 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCc2cc(O)ncn2)CC[C@H]1NC1CCSCC1 2356167129 IVSXDWMAMUFDDS-APHBMKBZSA-N 380.514 1.467 0 50 GDAA CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 20149058 URGVHWXDLTXHQF-CQSZACIVSA-N 387.274 1.963 0 50 GDAA O=C1NCCN(Cc2ccccc2C(F)(F)F)[C@H]1CC(=O)N1CCCCO1 55131199 HLZPLQZKQIQZKC-HNNXBMFYSA-N 385.386 1.950 0 50 GDAA Cc1c(C(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)cnn1-c1ccccn1 67727269 XJNXFFCDBDDQOE-AWEZNQCLSA-N 395.423 1.418 0 50 GDAA CNC(=O)c1c(NC(=O)c2cc3ncc(CCO)cn3n2)sc2c1CCCC2 55060922 VLCORDGNZBUGGT-UHFFFAOYSA-N 399.476 1.816 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)nn2)CN1 67955066 AZIJYYULYQBLQG-QXGSTGNESA-N 398.511 1.203 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCc3ccccc32)C1 65362878 FDNPEAMIWILOHL-KRWDZBQOSA-N 379.526 1.617 0 50 GDAA CNC(=O)[C@@H](O)CNC(=O)c1cc(Br)sc1Br 253428273 IYAGKYMIHCPYAS-YFKPBYRVSA-N 386.065 1.110 0 50 GDAA CCN1CCN(Cc2cnc(C3CCCCC3)nc2)[C@H]2CS(=O)(=O)C[C@H]21 77355128 IAMLFXVVUKRDRU-MSOLQXFVSA-N 378.542 1.827 0 50 GDAA COCC(=O)N1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)CC1 72141656 OBZRGZNLLCFMMN-UHFFFAOYSA-N 381.440 1.110 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2ccc3ccccc3c2F)[C@@H]2CCOC[C@@H]21 333930589 ZGHCGNQZDHUTTO-ZBFHGGJFSA-N 399.465 1.556 0 50 GDAA COCCn1cc2c(n1)[C@H](NC(=O)CCn1c(=O)n(C)c3ccccc31)CCC2 371658842 DVOVFIURVWFDAJ-MRXNPFEDSA-N 397.479 1.767 0 50 GDAA Cc1ccc(N2CCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2=O)o1 373349093 RKKYSGSAVYTUQK-INIZCTEOSA-N 395.415 1.282 0 50 GDAA CCOC(=O)c1ccc(S(=O)(=O)NC2CC(N(CC)CC(=O)O)C2)cc1 262456746 IDXOUVDFZLRCDT-UHFFFAOYSA-N 384.454 1.079 0 50 GDAA O=C([C@H]1CNCCN1C(=O)c1csc(-c2cccs2)n1)N1CCCC1 72129194 LVGCZAOEVIOSBA-CYBMUJFWSA-N 376.507 1.908 0 50 GDAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C/C=C/c1ccc(F)cc1)C2 218945640 JUGBPEOANWKPGI-ZMUQKWFASA-N 379.457 1.629 0 50 GDAA CCOC(=O)N1CCC[C@@H](C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)C1 241862507 SQRQFSNSZFTNBS-MGNMYUMUSA-N 394.516 1.055 0 50 GDAA CN(C)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 287563653 XLTHLUSHPXWUSM-INIZCTEOSA-N 392.456 1.366 0 50 GDAA Cc1nc(CCNC(=O)[C@@H](c2ccc3c(c2)OCO3)N(C)C)nc2c1CCC2 426438989 RGCNMSITSAPHHL-HXUWFJFHSA-N 382.464 1.964 0 50 GDAA O=C(CCn1cncn1)N1CCC(Oc2ccc(Cl)cc2)(C(=O)O)CC1 199492432 WZWXFRQAPZVANY-UHFFFAOYSA-N 378.816 1.846 0 50 GDAA COCCN1CC[C@@H](NC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)C1 290901885 CMQCGKNYPIBAKW-QUCCMNQESA-N 379.476 1.483 0 50 GDAA C[C@@H](CCn1cccn1)NC(=O)N1CCC(C(=O)NCc2ccccn2)CC1 426734538 RUHXHZYHMVGHKP-INIZCTEOSA-N 384.484 1.795 0 50 GDAA O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnc(C2CC2)[nH]c1=O 91663149 XTEOGDGOWLPJOR-UHFFFAOYSA-N 387.484 1.884 0 50 GDAA O=C(NCCN1CCOC1=O)c1ccc([C@H]2CCCN2Cc2c[nH]cn2)s1 23153314 CCBLLWUMKYUXCL-CQSZACIVSA-N 389.481 1.990 0 50 GDAA CCc1ccccc1NC(=O)N1CCN(CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 91289613 OOUDOQQBVGIUAH-SJORKVTESA-N 381.498 1.211 0 50 GDAA CCc1ocnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95517815 LMKQRIXDMDKBEB-UHFFFAOYSA-N 387.440 1.123 0 50 GDAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(S(N)(=O)=O)ccc1F 91680264 UHHLPJFTVDVFOK-UHFFFAOYSA-N 382.417 1.786 0 50 GDAA Cc1cccc(OCCN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)c1C 96161009 ZJLSSBBNNIPRIN-JXFKEZNVSA-N 375.469 1.682 0 50 GDAA Cc1nc2cc(C(=O)N3CCN[C@@H](C)C3)ccc2n1[C@@H]1CCS(=O)(=O)C1 299740246 XLSNOHPIVZQELW-SWLSCSKDSA-N 376.482 1.138 0 50 GDAA CN(CCC(=O)N1CCC(Oc2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 823668486 WBUSODIVSVZCNL-MRXNPFEDSA-N 398.500 1.705 0 50 GDAA C[C@H](CN1CCc2ccccc2C1)Nc1cncc(C(=O)N2CCOCC2)n1 952972543 KGFCPHTVPSCLPD-MRXNPFEDSA-N 381.480 1.808 0 50 GDAA COc1nc2c(cc1CNCc1nc(-c3ccncc3)n[nH]1)C(=O)N(C(C)C)C2 952860008 CICCKOZCXHUYQI-UHFFFAOYSA-N 393.451 1.924 0 50 GDAA CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(C(=O)O)CC2)c1 268945278 OBCRPRUIMKWCHA-UHFFFAOYSA-N 390.255 1.789 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(=O)(=O)[C@@H]3CCOC3)C2)cc1 408386069 NNHYBGXVRAWKJO-HZPDHXFCSA-N 380.466 1.082 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccc(Br)c2)C1=O 278893918 UTOUBQGZSSGLNJ-VFZGTOFNSA-N 384.230 1.968 0 50 GDAA CCOC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2(C)C)cc1 170599230 LTIJABAOLPUJLG-UHFFFAOYSA-N 375.468 1.061 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCS(=O)(=O)C1 191645965 LYWMIYRWWXQFBF-QMMMGPOBSA-N 388.330 1.566 0 50 GDAA Cc1cccc(NC(=O)CC(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)c1C 1506407690 PRTGVGODOVLWBV-MRXNPFEDSA-N 395.525 1.952 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(c3ccc(-c4nccn4C)nn3)CC2)C1 1772804029 CZQMXEPHZSLKQS-QGZVFWFLSA-N 397.483 1.717 0 50 GDAA CCc1ncnc(N2C[C@@H]3CN(C(=O)Cc4ccccc4)C[C@]3(CO)C2)c1F 1772804558 BRPBAQQUNDCDJK-HRAATJIYSA-N 384.455 1.678 0 50 GDAA CCCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(C)=O)c(=O)n2C 12518174 YLEDPTFGTZJHDW-UHFFFAOYSA-N 386.456 1.397 0 50 GDAA O=C(CCCn1cncn1)N[C@@H]1CC[C@H](NS(=O)(=O)c2cccs2)C1 1857674643 RESUBAAHJDIROL-OLZOCXBDSA-N 383.499 1.136 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857675697 HJSCOWBXTZDVJL-SFHVURJKSA-N 393.553 1.603 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cnn(Cc3ccccc3)c2)CC[C@H]1O 1857712124 LLDHROMZAADANJ-CTNGQTDRSA-N 387.480 1.544 0 50 GDAA Cn1cc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)cn1 1875241646 VJNHPNIKDGVBLJ-FQEVSTJZSA-N 397.523 1.812 0 50 GDAA C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C[C@H](C)N1 154054192 QPUONLYXUBRUSH-RYUDHWBXSA-N 389.315 1.573 0 50 GDAA O=c1[nH]c(-c2ccccc2CN2CC(N3CCOCC3)C2)nc2c1CCCC2 32592968 MQQHASNEFHZQOI-UHFFFAOYSA-N 380.492 1.832 0 50 GDAA Cc1cccc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2c(C)ncnc2C)C3)n1 1704328705 NKILFZORMDDDCT-HKUYNNGSSA-N 381.480 1.770 0 50 GDAA COc1ccc([C@@H](O)CN(CCS(N)(=O)=O)[C@@H](C)Cc2ccccc2)cc1 839645919 FYUOKDMLBYVPHB-JXFKEZNVSA-N 392.521 1.950 0 50 GDAA COc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3ccn(C)n3)C2)ccc1F 1875307903 VZZUNVPCZOZIAX-DZGCQCFKSA-N 388.443 1.825 0 50 GDAA CNCCC1CCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC1 1875350384 KNNHHIZCMROEER-UHFFFAOYSA-N 396.451 1.550 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCOCC3(C)C)C2)c1C 1875301220 FZWRKORDVIEWAT-CVEARBPZSA-N 375.517 1.779 0 50 GDAA CC1(C)CN(C(=O)C2SCCS2)C[C@@H]1NC(=O)CNC(=O)c1ccco1 1875346736 AMEQTKOPQJBAQN-LBPRGKRZSA-N 397.522 1.169 0 50 GDAA CO[C@H](C)CCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn2cc(C)cnc12 1775990070 CJUJDJBPGJFHCU-OWCLPIDISA-N 385.468 1.668 0 50 GDAA CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1(C)CCOCC1 2325793034 CVRJDMSNXGYGQR-ARFHVFGLSA-N 379.501 1.358 0 50 GDAA CC(=O)N1CCN(C(=O)CCNC(=O)c2cccc(C3=CCOCC3)c2)CC1 2325798442 HRIXVQXSSXWGTB-UHFFFAOYSA-N 385.464 1.301 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)n2ccnc21)c1cnccn1 2332238019 VLWIIHBTHAXSNW-XHSDSOJGSA-N 392.463 1.522 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 899987 GBZLVDIBXRIANW-UHFFFAOYSA-N 387.461 1.792 0 50 GDAA Cc1c(NS(=O)(=O)c2cccc3nonc23)c(=O)n(-c2ccccc2)n1C 1033278 KBFNTOSRILHUQV-UHFFFAOYSA-N 385.405 1.821 0 50 GDAA COc1ccc(C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)cc1OC 2856607 QFSIEYPFXJNYEB-UHFFFAOYSA-N 389.433 1.172 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCOc4ccc(CO)cc4C3)cn12 2356148852 WPVSNSISGUMBNP-IBGZPJMESA-N 396.447 1.946 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCCc2cscn2)CC[C@@H]1NC(=O)c1nccn1C 2356148966 BYMWGZZBVJAOCH-QEJZJMRPSA-N 391.497 1.149 0 50 GDAA COc1cc(C)ccc1OCCN1CC[C@H]2[C@@H]1CCN2Cc1cnc(=N)[nH]c1 2356149633 MZOJCNJVZUMKQW-ROUUACIJSA-N 383.496 1.934 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1Cc2nnc(C3CCOCC3)n2[C@@H](C)C1 2356154005 DJJPIWDPYPPWOL-JTQLQIEISA-N 381.458 1.542 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)CCc3nc(-c4ccncc4)no3)CC2)C1 2356155075 WILURINZYFUKIK-LJQANCHMSA-N 386.452 1.987 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC4(CC3)COC(=O)O4)cn12 2356161338 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C[C@]1(NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)CCS(=O)(=O)C1 96137809 OUXCNXOLJWTGOZ-SFHVURJKSA-N 379.482 1.550 0 50 GDAA Cc1nccn1C[C@H](C)CNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 180646791 YDUOFPDUKFAJPD-GFCCVEGCSA-N 387.465 1.453 0 50 GDAA COc1ccc(CN2CC(O)C2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 95527397 FQPNMLOWVNSHTJ-FQEVSTJZSA-N 386.492 1.743 0 50 GDAA Cn1ncc(N2CC[C@H](CNC(=O)CCc3cn4ccccc4n3)C2)cc1=O 23399731 VZTOFWUBHPNAEA-OAHLLOKOSA-N 380.452 1.003 0 50 GDAA CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@](C)(O)C[C@@]12NNC(=S)N2 245256300 OHDUBVHHVRLISK-SPLQCWDRSA-N 377.510 1.952 0 50 GDAA CN1C(=O)COc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 253398300 CAXBVGREISWWAW-CQSZACIVSA-N 394.387 1.121 0 50 GDAA biogenic O=C1NC[C@@]2(CCCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)O1 534666942 MYRHPKYYHJKZRF-IBGZPJMESA-N 390.440 1.558 0 50 GDAA COc1ccc(C(=O)NC[C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)cn1 824745635 KSLYYJHBPGEAAY-CYBMUJFWSA-N 383.452 1.973 0 50 GDAA CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2C(=O)NCC23CCOCC3)n1 923944837 MVHMFNVSDIAQEU-KRWDZBQOSA-N 375.469 1.603 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNCCn2c(=O)oc3ccccc32)cc1 952975155 WNAIJZPEAPHZFY-UHFFFAOYSA-N 389.477 1.861 0 50 GDAA Cc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccn1 271132390 NKGRKNGKTXVKQK-UHFFFAOYSA-N 383.456 1.371 0 50 GDAA Cc1nc([C@@H]2CCN(CC(=O)NCC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n[nH]1 412043217 PBIBBIKXDQCTHW-SWLSCSKDSA-N 388.447 1.035 0 50 GDAA CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCN(c2cc(C)[nH]n2)CC1 187156665 CYSIUGHXYVQWFD-KRWDZBQOSA-N 399.495 1.529 0 50 GDAA Cc1nc2cc(NC(=O)C(=O)N(C)[C@H]3CCCN(c4cccnn4)C3)ccc2o1 188566364 CHRGTGJZGMLHFV-HNNXBMFYSA-N 394.435 1.992 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1O 1615737671 VBVMFTJKOGURML-ZBFHGGJFSA-N 381.523 1.494 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616081844 FFLJLNQKGJKLPB-APWZRJJASA-N 392.525 1.173 0 50 GDAA C[C@@H](C(=O)NCC1CCN(C(=O)CCc2ccncc2)CC1)N1CCCC1=O 1506429365 XLWSRCOCOCBBRG-INIZCTEOSA-N 386.496 1.380 0 50 GDAA O=C(CCn1ccc(O)nc1=O)N1CCC(N2CCc3ccccc3C2)CC1 1506407767 QAYNMYYFLTUKGF-UHFFFAOYSA-N 382.464 1.388 0 50 GDAA O=C(Cc1ccc(CO)cc1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704338360 RSIBOZADUFRZSG-SIKLNZKXSA-N 383.444 1.628 0 50 GDAA Cc1cc(C[C@@H]2CN(Cc3cc(=O)n4nc(C5CC5)sc4n3)C[C@@H]2O)on1 1704336660 INDBUWIKQZLVBW-DOMZBBRYSA-N 387.465 1.360 0 50 GDAA CN(C)CC(=O)NC[C@H]1[C@H]2CN(c3ncnc4ccccc34)C[C@]23CC[C@H]1O3 1704326016 TVYNPNKRNKWIKU-LTVCHDBBSA-N 381.480 1.291 0 50 GDAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)CC2)cc1 1857671116 PAIXDOIEUVFVCG-ROUUACIJSA-N 383.492 1.936 0 50 GDAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(Cc4cccnc4)CC(=O)N23)cc1 1857688467 KZSNZOHZUXTTHN-YVWKXTFCSA-N 380.448 1.350 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]1c1cnn(C)c1 1857717222 NROYNZMGNFRANR-PMACEKPBSA-N 396.447 1.670 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3c[nH]nc3C(=O)O)CC(=O)N2[C@H]1c1ccccc1 1857731434 IQTZTLVZZNYHFT-MPGHIAIKSA-N 398.419 1.055 0 50 GDAA O=C1CC[C@H](C(=O)N2CCC(C3CCN(C(=O)c4ccccn4)CC3)CC2)N1 1857731619 MNDOJNMIAVIWIP-GOSISDBHSA-N 384.480 1.451 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCn2cnnc2)CC1 1857733160 XSGWKALNSGKZLQ-UHFFFAOYSA-N 384.484 1.968 0 50 GDAA N=c1nc(CCNC(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)[nH][nH]1 1857734852 VHPSXKKTMCTQNW-UHFFFAOYSA-N 389.847 1.587 0 50 GDAA CC(=O)NCC(=O)N1CCc2ncc(CNC(=O)/C=C/c3ccccc3)cc2C1 1875246146 IXOYURRFGNJBQI-BQYQJAHWSA-N 392.459 1.432 0 50 GDAA CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(O)(C(F)(F)F)CC1 408018827 BJPSSTGMTSDMRZ-UHFFFAOYSA-N 386.417 1.528 0 50 GDAA O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1cnn2c1OCCC2 333139994 JFCCFIKFSLTQTH-CQSZACIVSA-N 396.538 1.918 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CCCS(=O)(=O)N(C)C)C1)CC2 1704344160 ONMJTYZBFITBNG-SFHVURJKSA-N 381.546 1.104 0 50 GDAA O=C(COc1ccc(F)cc1F)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 872259269 PYTXBHIUMVXWEN-ZBFHGGJFSA-N 381.379 1.127 0 50 GDAA O=c1cc[nH]cc1-c1nc(Cc2cccc(F)c2)nn1CCN1CCOCC1 1875348861 FGPHDQMMKZRHGC-UHFFFAOYSA-N 383.427 1.696 0 50 GDAA O=C(N[C@H]1[C@@H]2CN([C@H]3CCN(c4ccccc4)C3=O)C[C@@H]21)c1ccc(F)cn1 1875325537 OIYHWWPTJDPWRL-OGWHTMIXSA-N 380.423 1.686 0 50 GDAA Cn1c(N2CC[C@@H](Nc3cc(Oc4ccccc4)ncn3)C2)cc(=O)n(C)c1=O 1875399076 NXKBMLIVRSGWSV-CQSZACIVSA-N 394.435 1.357 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](c3nc(C)no3)(C(F)(F)F)C2)CC1 1875366073 ISDDQZZDCHBYCJ-MRXNPFEDSA-N 386.374 1.835 0 50 GDAA COCc1cnc(OC)c(C(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875403105 QECPZZNXERNMLC-IUIKQTSFSA-N 394.859 1.656 0 50 GDAA Cn1cc(Oc2ccc(Nc3ccc(C(=O)N4CCNCC4)nn3)cc2)cn1 2325793509 XOHUUVICQPOFST-UHFFFAOYSA-N 379.424 1.791 0 50 GDAA O=C(O)C[C@@H]1CN(S(=O)(=O)c2c[nH]nc2Br)c2ccccc21 2325830054 ZBWKQFRDEIBJQF-MRVPVSSYSA-N 386.227 1.939 0 50 GDAA CC(C)[C@@H](C(=O)N[C@H]1CC2(CN(C(=O)Cc3ccoc3)C2)n2ccnc21)N(C)C 2332237978 SMJKCPVCQNWTDO-WMZOPIPTSA-N 399.495 1.404 0 50 GDAA CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 983575 VYUFRSLKBIUSTG-UHFFFAOYSA-N 377.466 1.711 0 50 GDAA Cc1cc(O)n2nc(SCC(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)nc2n1 2356137106 FUWDRDIENMGSDP-SFHVURJKSA-N 399.480 1.460 0 50 GDAA COc1ccnc(CN2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)c1OC 2356145803 JAIFQHSBNDYGBP-WIYYLYMNSA-N 386.448 1.979 0 50 GDAA Cc1cc(S(=O)(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)n(C)n1 2356146778 VGOQPQQMXUBAMF-UHFFFAOYSA-N 386.481 1.158 0 50 GDAA NC(=O)N[C@@H](CC(=O)NCC1(N2CCCCC2)CCOCC1)c1cccs1 110030123 HGMNAAMTRRVRQR-HNNXBMFYSA-N 394.541 1.999 0 50 GDAA COc1cc(CNCCOC(C)C)ccc1OC[C@H](O)CN1CCOCC1 20201526 RQSGDEWJPRXOGP-GOSISDBHSA-N 382.501 1.282 0 50 GDAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc([C@@]3(C)NC(=O)NC3=O)cc1)CC2 246691032 DSQXIOYDIANJKM-XGHQBKJUSA-N 384.480 1.829 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 67613097 LIMBRSRREFDZKK-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 21793814 HCTKVVQTCUKVAD-UHFFFAOYSA-N 397.479 1.593 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 12583350 BDABNFICCBUGEH-UHFFFAOYSA-N 398.471 1.003 0 50 GDAA COC(=O)[C@]1(C)N[C@H](c2cc(F)c(OC)c(Cl)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65407331 FQHLSALZRMTCDD-BDBYMAIGSA-N 384.791 1.295 0 50 GDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 3791297 GBXSMTUPTTWBMN-XIRDDKMYSA-N 376.453 1.605 0 50 GDAA biogenic,fda CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3c(Cl)cnn3C)CCO2)o1 330231737 FCZCXSAVWYVGCT-SNVBAGLBSA-N 375.838 1.342 0 50 GDAA COc1cc(SC)c(OC)cc1CN1CCN(CCn2cncn2)CC1 216301396 BNDJQQZPVWSOFQ-UHFFFAOYSA-N 377.514 1.835 0 50 GDAA CCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(CCCN2C(=O)CN=C2O)c1=O 328635908 NUNCFESOAOLORB-RDJZCZTQSA-N 399.451 1.456 0 50 GDAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H](c2ccn[nH]2)C1 77487097 QUUBHFQHROQNAT-ZDUSSCGKSA-N 388.449 1.351 0 50 GDAA COc1ccccc1[C@H]1CNCCN1C(=O)CCn1nc2ccccn2c1=O 261685569 CCUUNXRPVLAMII-MRXNPFEDSA-N 381.436 1.068 0 50 GDAA CC(C)[C@H](CNC(=O)[C@H]1CCn2cncc2C1)NC(=O)[C@@H]1CCn2cncc2C1 332826449 WPQJNOUEVMQOEY-FCEWJHQRSA-N 398.511 1.162 0 50 GDAA COc1ccc2c(c1)[C@@](O)(CNS(=O)(=O)c1ncn(C)c1Cl)CCC2 371364910 ALWMYGNIVLGEKV-INIZCTEOSA-N 385.873 1.585 0 50 GDAA O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1C[C@H](O)CN1 238102331 XMAKTSOPPKZYER-PMACEKPBSA-N 376.460 1.937 0 50 GDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)Nc2ccc3c(c2)CCC3)cn1 285440641 XEXGVHKTWJDCQS-SFHVURJKSA-N 388.493 1.319 0 50 GDAA COCCn1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(=O)cc1C 287104280 NESVEGVVOIYWIL-UHFFFAOYSA-N 381.436 1.373 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2nc3ccccc3s2)CC1 426405481 JDCVPXTXIQNEQH-GFCCVEGCSA-N 380.495 1.315 0 50 GDAA COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 91974352 GAKQRHIPJTWKER-QZTJIDSGSA-N 376.497 1.388 0 50 GDAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 180796550 VDBVXZSCPRRELV-ZUZCIYMTSA-N 394.834 1.647 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 91950694 MKHUXBVFTVCKFM-FQEVSTJZSA-N 386.415 1.689 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)c2cnc3ccccn23)CC[C@@H]1N1CCOCC1 91690953 IWQPJFHLMXAGIA-CVEARBPZSA-N 386.452 1.362 0 50 GDAA CCc1c(C)nc(C)nc1N1CCC(NCCSc2nnnn2C)CC1 95529899 TUXFVDPZEJLMDO-UHFFFAOYSA-N 376.534 1.530 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244633082 FWGSBWFYKXKWAA-WKILWMFISA-N 383.452 1.843 0 50 GDAA CCn1cnnc1CN1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 244741952 NZNQOZJYMPWFIV-QAQDUYKDSA-N 375.517 1.806 0 50 GDAA C[C@H]1CN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cn2)C[C@H](C)O1 299002101 KHVALXUXZQENIW-STQMWFEESA-N 390.465 1.595 0 50 GDAA Cc1cccc(OCC(=O)N[C@@H]2C[C@@H](C(=O)NC3CCOCC3)CC[C@H]2O)c1 1940197285 FNNQYASOUTYKPP-KFKAGJAMSA-N 390.480 1.315 0 50 GDAA O=C(CCN1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccc(Cl)cc1 299761393 KYMCWGJCWRJSCN-DLBZAZTESA-N 375.860 1.784 0 50 GDAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)c2cccc(-n3cnnc3)n2)C1=O 952962858 DEEHHGDIHNVCDT-LLVKDONJSA-N 377.364 1.359 0 50 GDAA C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1 275990345 OUOACUVKJILMDE-CVEARBPZSA-N 399.499 1.239 0 50 GDAA 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378.440 1.032 0 50 GDAA O=C1NC[C@@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)no3)CC2)O1 426404215 ILZSNYAARGVELF-SFHVURJKSA-N 386.412 1.348 0 50 GDAA O=C(c1ccc(F)cc1F)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96130606 OHBBBUVTMHSLDB-CWTRNNRKSA-N 378.375 1.750 0 50 GDAA Cc1cccc2nc(C(=O)N3CCC(c4nnc(CN(C)C)n4C)CC3)cn12 96153429 ZDQNIEVHNIBLMT-UHFFFAOYSA-N 381.484 1.853 0 50 GDAA CCN1CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1 96161601 BQBUHJHDEJMDIJ-UHFFFAOYSA-N 377.489 1.207 0 50 GDAA COCCn1cncc1CNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F 96162352 YMNITRKKUMHDRD-UHFFFAOYSA-N 385.421 1.362 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)n1 92080644 RTRBULZQCRKHCT-UHFFFAOYSA-N 380.445 1.497 0 50 GDAA OC1CCN(C[C@@H](O)COc2cccc(CN3CC(c4ccccn4)C3)c2)CC1 95499974 COVRBTLDGLKASC-OAQYLSRUSA-N 397.519 1.877 0 50 GDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2nc4ncccn4n2)C3)cc1 95389396 PVXJYLDGURJZLM-DLBZAZTESA-N 392.463 1.870 0 50 GDAA Cc1c(C(=O)NCc2ccc(OCC3CC3)nc2)cnn1-c1ccc(=O)[nH]n1 299616588 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C=CC(=O)NCCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 269502171 ZUBVHQXEMAUSNL-CYBMUJFWSA-N 399.447 1.520 0 50 GDAA Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O 756037360 JIAMGVHHAJGUTO-HNNXBMFYSA-N 381.436 1.276 0 50 GDAA Cc1nc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cs1 1506395206 DCWLEAMPNMETAV-ZDUSSCGKSA-N 398.510 1.887 0 50 GDAA COc1ccc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1Cn1cncn1 1704279986 CZEDCATYYWBMAO-APWZRJJASA-N 382.468 1.402 0 50 GDAA Cc1nccn1CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 11661529 NPEFOIUQLVUXQN-INIZCTEOSA-N 375.498 1.150 0 50 GDAA O=C(CCCn1cccn1)NC[C@@H]1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 1857678852 SPBGRQIXGCXAHK-SJORKVTESA-N 397.545 1.269 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)o1 1857711474 BQPMOXXWPXZKCO-HXUWFJFHSA-N 384.436 1.630 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 1857735531 QYLDNSSHKDJANH-UHFFFAOYSA-N 392.463 1.910 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cc(O)n1 1857737653 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382.429 1.164 0 50 GDAA O=C(N[C@H]1COC[C@H]1n1cc(Br)cn1)c1cncc2nc[nH]c12 1875392243 FXEQLAGFCAPSDW-NWDGAFQWSA-N 377.202 1.287 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5cnsc5)nn4)ccc3C2=O)C(=O)N1 1875355181 CJNKPOGPUYPBAV-OAHLLOKOSA-N 394.416 1.152 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 1875402066 ALPNGDPCOWBKQB-LSBZLQRGSA-N 388.443 1.428 0 50 GDAA O=C1COc2ccc(S(=O)(=O)N3CCOc4ccccc43)c3c2N1CCC3 4784776 XUFDQQUFDOCOQS-UHFFFAOYSA-N 386.429 1.946 0 50 GDAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)CN2CC3(CCNCC3)OC2=O)C1 23380018 MTFSWFVFLVUGOC-QGZVFWFLSA-N 385.464 1.682 0 50 GDAA Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 2325763281 HPEJCQFZNOXECA-FSPWUOQZSA-N 386.521 1.962 0 50 GDAA O=C(N[C@@H]1CC2(CN(C(=O)[C@H]3CC34CC4)C2)n2ccnc21)c1cc(C2CC2)no1 2332238027 VUZRTUKJRYMMNV-UKRRQHHQSA-N 393.447 1.961 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cc(O)ncn2)CC[C@H]1Nc1ncccn1 2356141915 WBOMNMCAINKMAG-NUEKZKHPSA-N 386.456 1.664 0 50 GDAA COC1(c2ccccc2)CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 2356142325 NOQRIUXIVJKPNC-KRWDZBQOSA-N 380.510 1.270 0 50 GDAA COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C1 2356156235 YBGNKZCJCAPUOJ-IKGGEDFYSA-N 383.448 1.386 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCc3ccno3)C2=O)c1OC 67712901 HEFFGNLEQQUKLD-IBGZPJMESA-N 375.425 1.335 0 50 GDAA COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 779968 SSGKLQOIMFNACR-UHFFFAOYSA-N 381.432 1.852 0 50 GDAA Cc1ccc(OCCc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)c(C)c1 328621093 AFRKYYUNAJHTKB-HNNXBMFYSA-N 381.454 1.641 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 4770500 MLRGGBXREVZWTH-UHFFFAOYSA-N 394.472 1.585 0 50 GDAA CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 253424394 FKTCDSYFNWNWDV-UHFFFAOYSA-N 391.291 1.371 0 50 GDAA COc1cc(CN2CC[C@H](NC(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)cc(OC)c1 253405208 ISUKCXOOFMRHPX-ZDUSSCGKSA-N 397.435 1.273 0 50 GDAA COCc1nc([C@H]2COCCN2C(=O)Nc2ccnn2[C@H](C)C2CC2)no1 330066066 DKXZRAJCRNWHBT-DGCLKSJQSA-N 376.417 1.989 0 50 GDAA Cc1nc(-c2ccccc2NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)no1 363371355 HMUPFERHSYMEAI-MRXNPFEDSA-N 385.424 1.900 0 50 GDAA Nc1nc(CCC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)cs1 219298552 QKNBJORLXDOCDR-HZPDHXFCSA-N 377.466 1.503 0 50 GDAA COCCn1cc2c(n1)[C@@H](NC(=O)N1CCO[C@H](c3n[nH]c(C)n3)C1)CCC2 332901820 OUUMLRQZHPULID-GJZGRUSLSA-N 389.460 1.117 0 50 GDAA CCn1ccnc1C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 365893751 HYTBTOUBOAAFAA-UHFFFAOYSA-N 398.448 1.697 0 50 GDAA NC(=O)C1(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)CC1 72135398 ZBGBWWFUTCJBGG-BRWVUGGUSA-N 375.419 1.619 0 50 GDAA CC(C)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 72474958 STBNKQGWQZJZDJ-CABCVRRESA-N 386.420 1.071 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)n1 72441225 QLYPAAARIGSCDB-UHFFFAOYSA-N 379.468 1.550 0 50 GDAA CCn1ncnc1[C@H](NC(=O)Cn1c(C)nn(-c2ccccc2)c1=O)C1CC1 77341606 HKGBGWCXCAJHKD-QGZVFWFLSA-N 381.440 1.221 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@@](O)(CO)C3)csc2C1 426581319 RYIGBYWHNHQQKH-IBGZPJMESA-N 391.493 1.481 0 50 GDAA CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O 85510598 HKQZUYOVMYOFIT-WJXQOHOISA-N 377.525 1.251 0 50 GDAA biogenic,in-vitro CN1C[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)C2)OC1=O 426405153 NZCCWEWYARHTED-SFHVURJKSA-N 385.428 1.035 0 50 GDAA NCCCOc1cc(Cl)ccc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 426358309 MCSDOZYGTKZBPQ-UHFFFAOYSA-N 378.864 1.788 0 50 GDAA O=C(C1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2F)CC1)N1CCOCC1 291476399 QBNQSLKQNDRICG-INIZCTEOSA-N 384.835 1.610 0 50 GDAA O=C(O)CC[C@@H]1CN(c2nnnn2-c2ccccc2)CC[C@@H]1N1CCOCC1 95359927 BBUWCNBHUSWDHW-WBVHZDCISA-N 386.456 1.054 0 50 GDAA CN1CCN([C@H]2CCN(Cc3ccccc3C(=O)O)C[C@H]2CCCO)CC1 91254266 KRQPPCNHOHRNCU-QUCCMNQESA-N 375.513 1.595 0 50 GDAA COCCCN1CCC[C@@]2(CCN(C(=O)CSc3ncccn3)C2)C1=O 92002870 ZVQKOZSWYTVNJS-SFHVURJKSA-N 378.498 1.446 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccco3)[C@@H](CCO)C2)CC1 97347285 WWJFMKHGVOBNQE-KRWDZBQOSA-N 392.500 1.068 0 50 GDAA O=C(c1ccc(N2CCCC2)cc1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 95366387 XBTWQSKGODNXQR-RTBURBONSA-N 387.524 1.424 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)CC3CC3)C[C@@H]1N(C(=O)C(=O)c1cccn1C)CC2 534640033 QYQKPMXZTXRXMA-LDBYXDLTSA-N 387.480 1.663 0 50 GDAA COc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1C(N)=O 299763671 OXGQYOWSLHYNEW-CQSZACIVSA-N 376.457 1.370 0 50 GDAA O=C(NC[C@@H]1CCOC1)c1cccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c1 299786761 QKNCDXJJTSJXLA-HNNXBMFYSA-N 383.448 1.920 0 50 GDAA O=C(Cc1cccc(O)c1)N1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 828925464 XHFFAUKXDIWMGL-KRWDZBQOSA-N 388.464 1.191 0 50 GDAA COCCn1c(CNCc2nc3c(s2)CCCC3)nnc1[C@H]1C[C@@H](N)C1 824462531 NHXWFEFNJQDZOQ-BETUJISGSA-N 376.530 1.754 0 50 GDAA CC(C)c1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)nc(N)n1 952978510 AKDZEBXHWZMEKH-UHFFFAOYSA-N 397.888 1.544 0 50 GDAA COCCN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1 952975255 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C[C@@H]1C[C@@H](N=c2[nH]c(Cl)nc3c2SCC3)CN1C(=O)c1nccnc1N 1875334369 LFIINUHZNPUWAW-RKDXNWHRSA-N 391.888 1.287 0 50 GDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)NCCc1ccc(C)cn1)CCO2 1875396101 VOKULYJXLZTORY-UHFFFAOYSA-N 394.541 1.995 0 50 GDAA C[C@@H]1COCC[C@H]1Nc1ncncc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 1875356219 LAJSZPSPLSBRES-RHSMWYFYSA-N 399.499 1.451 0 50 GDAA COc1cc(C)nc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397994 WQBNCLFYLUVOJY-CQSZACIVSA-N 385.472 1.593 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 1875402676 JWAODEJIRBEWMO-QXAKKESOSA-N 395.463 1.317 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2cccnc2)CC1 2100545475 WUYZMFJYQXUOOG-UHFFFAOYSA-N 381.480 1.894 0 50 GDAA O=C1NC(=O)[C@]2(CCCN(c3ncnc4c3cnn4-c3ccccc3F)C2)N1 2325825201 IMNAMOCYLFXZGS-GOSISDBHSA-N 381.371 1.133 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 2356141848 SHHFBFGIJAQOOV-FQEVSTJZSA-N 379.420 1.340 0 50 GDAA O=C(CCn1ccccc1=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356153539 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Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1 60328032 GMIZZEXBPRLVIV-SECBINFHSA-N 376.262 1.942 0 50 GDAA investigational CN1CCN(CCCNC(=O)CNC(=O)c2ccco2)[C@@H](c2ccccc2)C1 229578272 UEEBPOUYJGJYGW-GOSISDBHSA-N 384.480 1.504 0 50 GDAA Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 65362126 GPKSECNYCXAEPI-CQSZACIVSA-N 378.454 1.333 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77377862 WGLFKIKGOBEEQP-AWEZNQCLSA-N 379.888 1.907 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CC(C)(C)CO)C2=O)c1 71749536 WSUGBNRQGPVWGZ-FQEVSTJZSA-N 382.476 1.638 0 50 GDAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 240902821 IVOILQYFRLXXPL-AWEZNQCLSA-N 398.504 1.470 0 50 GDAA Cc1nccc(CN2CCC[C@@H](NC(=O)N3CCC(n4ccnc4)CC3)C2=O)n1 363886150 JJNOOSSVBJCXCI-GOSISDBHSA-N 397.483 1.519 0 50 GDAA COC(=O)[C@H](C)NC(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 72131763 KHIUKHKBLCFXLJ-LBPRGKRZSA-N 384.440 1.234 0 50 GDAA C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCNC(=O)c1cccnc1 371651189 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CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc2c(c1)OCCO2 96130769 IAMHYXSPEAFQKU-HNNXBMFYSA-N 376.457 1.522 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(Cn2cc(Br)cn2)o1 299741726 AJDGGVQLGAEYJW-LLVKDONJSA-N 384.186 1.213 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 557274420 VJHWGNGGGIQOOI-UHFFFAOYSA-N 377.876 1.980 0 50 GDAA NC(=O)CCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299757328 LQKHQTSPAIWITQ-SFHVURJKSA-N 393.459 1.162 0 50 GDAA Cc1ncnc(C)c1C(=O)N1CCC2(CC1)CN([C@@H]1CCSC1)CCO2 828133659 LYLMTYVFPNPFAI-MRXNPFEDSA-N 376.526 1.906 0 50 GDAA Cc1cc(C(N)=O)c(-c2cccc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2)nc1C 584889127 LQMMSFKGZQQMBS-MRXNPFEDSA-N 380.448 1.802 0 50 GDAA CCN1C[C@H](CN(C)S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1=O 952966653 ISZRJIWHAWIBNT-NSHDSACASA-N 390.889 1.846 0 50 GDAA Cc1nc(C)c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)s1 1565514788 VIPSOGAOKDKJKY-GJZGRUSLSA-N 375.450 1.825 0 50 GDAA c1nc(N2CCOCC2)ncc1CN1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565515799 FCULQSLKGLUXPS-PXNSSMCTSA-N 387.528 1.388 0 50 GDAA O=C(O)C[C@H](NC(=O)CN1CSCC1=O)c1cccc(Br)c1 268934411 FOAFWWPBOHPPQL-NSHDSACASA-N 387.255 1.614 0 50 GDAA COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 170604006 SJJCXVXUERJDQT-RYUDHWBXSA-N 388.511 1.911 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1CO 189181208 ODTKIKBOXMMWAO-KOLCDFICSA-N 376.272 1.633 0 50 GDAA C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(N3CCCC3)ccn2)CC1 189258485 MNTGQOWTRADJMA-QGZVFWFLSA-N 385.512 1.451 0 50 GDAA O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCOC[C@]12CCOC2 194425419 VBRGNOQSAAAJPH-MRXNPFEDSA-N 382.342 1.918 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 1704306011 ZAWSMYWEYAPMGI-HOTGVXAUSA-N 387.436 1.518 0 50 GDAA COc1ccc(NC(=O)N2C[C@H]3CN(C(C)=O)C[C@@]3(CN(C)C)C2)cc1OC 1772811129 SIGLFJVAEBXRKD-QRWLVFNGSA-N 390.484 1.578 0 50 GDAA Cc1ccc(NC(=O)N2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@]3(CO)C2)cc1 1772806652 DEJDKKXCEGPOMY-YWZLYKJASA-N 381.436 1.383 0 50 GDAA Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@]3(CN(C)C)C2)n1 1772808480 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CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccncc2)CC3)CC1 14992200 PUESPZNIYZHWIR-GOSISDBHSA-N 386.496 1.984 0 50 GDAA C[C@@H]1CN(C(=O)c2ccc(Cn3cnnn3)cc2)CCN1c1ccc(F)cn1 1857676103 CKEQSADRKHGGTP-CQSZACIVSA-N 381.415 1.606 0 50 GDAA Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 1857679648 PBVJIRNBHVUEIV-KGLIPLIRSA-N 396.538 1.976 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cc(N)ncn4)C[C@]34CC[C@H]2O4)s1 1857709991 BZZWEAMFKCKYRK-FGBSKUFISA-N 385.493 1.843 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccc(-n3cccn3)c2)[C@H]1c1cnn(C)c1 1857724229 QLFBXWPYPIVVJU-PMACEKPBSA-N 394.479 1.750 0 50 GDAA CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccc(N(C)C)c3)[C@H]3CC[C@]2(C1)O3 1857736984 YEZKHBIPBICOEE-XKGFGPFHSA-N 386.496 1.691 0 50 GDAA O=C(Cn1ccccc1=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1875248101 ZDCAVVQQWLZIJA-OKZBNKHCSA-N 387.867 1.832 0 50 GDAA O=C1N[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@@H]2N1C1CCNCC1 333648664 JLWGLECYQNYTQP-CVEARBPZSA-N 398.916 1.249 0 50 GDAA COc1ccc2[nH]cc(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)c(=O)c2c1 1704297068 FVAKBSXSEPFUPK-WIYYLYMNSA-N 385.464 1.456 0 50 GDAA Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)O)C1 868455698 RYTFKHBREPIQNA-CHWSQXEVSA-N 395.410 1.888 0 50 GDAA CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]1Cc3ccccc3NC1=O)CC2 1875294190 CVMSXADLZPJWKX-HNNXBMFYSA-N 399.472 1.685 0 50 GDAA O=C(NCc1cn([C@@H]2CCOC2)nn1)c1cnn2c1NCC[C@@H]2C(F)(F)F 1875396439 HNCIZVTYSNVENN-ZYHUDNBSSA-N 385.350 1.285 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC(CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 1875320890 YXAOFJCOGBNDOQ-NSHDSACASA-N 385.472 1.243 0 50 GDAA O=C(CCc1ccc(O)nn1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100537085 ICGQYZJPHPOJKD-NRFANRHFSA-N 395.463 1.694 0 50 GDAA COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1 19792095 FZYGNDQYKIRTSO-CYBMUJFWSA-N 386.385 1.991 0 50 GDAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)[C@H]3CCCc4c3ncn4C)C2)ccn1 2325780256 SYTOCGONAHCQLH-ROUUACIJSA-N 397.479 1.551 0 50 GDAA COc1cc(C(=O)NCCN2C(=O)COc3ccccc32)cc2cn(C)nc12 2325811641 KHKKGZDXNBFABD-UHFFFAOYSA-N 380.404 1.737 0 50 GDAA Oc1nc2c(cc1-c1noc(C3CCN(c4ncccn4)CC3)n1)CNCC2 2325850406 XIGZQPDPSCCZME-UHFFFAOYSA-N 379.424 1.657 0 50 GDAA O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc2c1CCNC2 2325858449 NPICDLFFUJFERQ-UHFFFAOYSA-N 394.410 1.511 0 50 GDAA NC(=O)Cc1nc([C@H]2OCC(=O)N[C@@H]2c2ccccc2)n(-c2ccccc2F)n1 2356143512 KXCBPZPNXFZAMA-MOPGFXCFSA-N 395.394 1.363 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356144251 PBNQQLFUPPQZEE-UGKGYDQZSA-N 393.443 1.337 0 50 GDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 4999132 MJLFODVAEXNWKQ-ZDUSSCGKSA-N 386.539 1.960 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(C)c1 107421539 YYUGGONJVMMKOY-LJQANCHMSA-N 379.526 1.587 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCc1ccccn1)CO2 67846959 UMDGWKBLEFPTMO-KRWDZBQOSA-N 382.464 1.730 0 50 GDAA COCCn1c(CN2CCN3CCC[C@@H]3C2)cnc1S(=O)(=O)CCC(C)C 22913999 IYSIUHNTYYUQEQ-QGZVFWFLSA-N 398.573 1.629 0 50 GDAA COc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 67602076 FKDPOUYYPNDTII-UHFFFAOYSA-N 383.514 1.262 0 50 GDAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)nc2c1CCCC2 12612315 QJBAFUZSOPNTTL-SFHVURJKSA-N 385.512 1.413 0 50 GDAA CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)nn1 329288247 PWWOEQHPSKRWPB-UTUOFQBUSA-N 378.351 1.046 0 50 GDAA CC[C@@H](NC(=O)CCc1cc2n(n1)CCNC2)c1ccc(S(C)(=O)=O)cc1 72477150 ZZPGZKJTNIBEBE-GOSISDBHSA-N 390.509 1.590 0 50 GDAA CN1CCO[C@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1 253420531 XXLOABDPJOXDNN-GJZGRUSLSA-N 394.821 1.965 0 50 GDAA Cc1cc(CN2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)nc(N(C)C)n1 328604117 IOOBFJCOJXKABB-KRWDZBQOSA-N 383.500 1.455 0 50 GDAA Cc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)cs1 328610363 HKUIKURKNCOTGK-ZDUSSCGKSA-N 383.499 1.142 0 50 GDAA Cn1nccc1[C@@H]1[C@H](C(=O)Nc2nnc3ccccn23)CCC(=O)N1C1CC1 366383060 YYFWLXIAXRBIOW-DYVFJYSZSA-N 379.424 1.544 0 50 GDAA COc1ccc(CNC(=O)C2CCN(Cc3cc4n(n3)CCCNC4)CC2)cc1 72161459 QPKTVUSLEJAGSE-UHFFFAOYSA-N 397.523 1.913 0 50 GDAA CCN(CC)C(=O)c1ccc(NC(=O)CN2CCNC[C@@H]2c2nccn2C)cc1 261860481 ZGQZYXFYEZGSBU-GOSISDBHSA-N 398.511 1.487 0 50 GDAA COC(=O)CCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71756989 LQQAZBNTUSFSDE-KRWDZBQOSA-N 388.512 1.437 0 50 GDAA CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)s1 372622980 XKCTYKRLBRTXMC-DBRKOABJSA-N 386.377 1.204 0 50 GDAA CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCCC[C@@H]2c2ccnn2C)CC1 373952628 DCXYZTPCPFKEPT-QGZVFWFLSA-N 397.545 1.859 0 50 GDAA Cc1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)c(-n2cc(Cl)cn2)n1 240423797 FQXKJUHGQRQPCG-GOSISDBHSA-N 391.859 1.930 0 50 GDAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCc2c(nc(CC3CC3)[nH]c2=O)C1 72129151 LIXMIHUOGQYPCE-OAHLLOKOSA-N 378.476 1.998 0 50 GDAA Cc1nc(CCC(=O)N2CC[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)n[nH]1 426571576 HLAVXGZQMUTCMD-FQEVSTJZSA-N 382.468 1.482 0 50 GDAA Cc1cccc(-c2ccc(C(=O)N[C@H]3C[C@H]4C(=O)N(C)CC(=O)N4C3)cc2)n1 426410465 IINSUQFEKLQSFB-WMZOPIPTSA-N 378.432 1.228 0 50 GDAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 229425326 DXTGYJOZNNJUJA-VXKZXEGRSA-N 391.493 1.276 0 50 GDAA CCc1cc(-c2cccc(C(=O)NCc3nn[nH]n3)c2)nc(N2CCCC2)n1 426606769 QIIHEFYSDJKXAA-UHFFFAOYSA-N 378.440 1.749 0 50 GDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 239164785 MXDIUNHDLOILHZ-DDHJSBNISA-N 398.506 1.328 0 50 GDAA CS(=O)(=O)N1C[C@H]2CN(Cc3csc4ccccc34)C[C@@]2(C(=O)O)C1 96160152 LEKRMKAQTYVWOK-CXAGYDPISA-N 380.491 1.679 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3c(F)cccc3F)C[C@H]2CCCO)CC1 91594167 PZGBSWDPLPFIBV-QAPCUYQASA-N 381.467 1.815 0 50 GDAA Cc1nc(C)n(CCNS(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)n1 95356745 RWTBVPAHWNEPOI-UHFFFAOYSA-N 377.470 1.156 0 50 GDAA O=C1CCC(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)=NN1 95529145 VJJKBMYXDULCHX-HXUWFJFHSA-N 383.452 1.079 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)NC[C@@H]3COCCN(C)C3)cc2)CC1 96130972 WBYUEZDECVHNHP-INIZCTEOSA-N 376.501 1.859 0 50 GDAA Cc1nccn1C[C@@H](C)CNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 180646774 YDUOFPDUKFAJPD-LBPRGKRZSA-N 387.465 1.453 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O 252535758 GUCVUFLGYKMFSD-TUKIKUTGSA-N 381.860 1.878 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3cncn3C)C2)c1 825164435 HGHUKLYVWKFWSL-INIZCTEOSA-N 390.509 1.868 0 50 GDAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565509653 DUGFVVOVQJHZHA-YOEHRIQHSA-N 376.434 1.905 0 50 GDAA CCN1C[C@H](CN(C)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1=O 952981785 PEAAPOTVUXBBEA-LBPRGKRZSA-N 387.461 1.894 0 50 GDAA COc1ccccc1N1CC[C@@H](CNC(=O)NCCN2CCOC(C)(C)C2)C1 171217708 SVDJADFWCFLNNO-KRWDZBQOSA-N 390.528 1.932 0 50 GDAA NC(=O)c1cc([C@@H]2CCCN(c3cc(C(F)(F)F)nc4ncnn34)C2)n[nH]1 271340382 CTTUYZOFMXCUQP-MRVPVSSYSA-N 380.334 1.349 0 50 GDAA CCS(=O)(=O)c1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 275802055 KDCMKYXEVYFUHG-UHFFFAOYSA-N 393.509 1.634 0 50 GDAA Cc1noc2ncnc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c12 195505489 GVHWXGOHKYDAJM-UHFFFAOYSA-N 377.401 1.576 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1506400475 AIHXEFBUCHEABG-HXUWFJFHSA-N 393.553 1.960 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)n1 1529158998 LZJOLFNDPURDCD-SFHVURJKSA-N 395.507 1.955 0 50 GDAA CC1CCN(Cc2ccc(C(=O)N3C[C@@H](O)[C@H](Cc4cnccn4)C3)o2)CC1 1704352993 OHAFQZOAXJSPAO-VQIMIIECSA-N 384.480 1.977 0 50 GDAA O=C(NCCn1cc(Cl)cn1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772809458 BGNKEJAXEUUCIZ-GFCCVEGCSA-N 395.916 1.751 0 50 GDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)NC1 1772815803 XPTBTRIPPHSTRT-UHFFFAOYSA-N 381.480 1.593 0 50 GDAA COC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 11665220 WQQCYURXCFRCOD-QGZVFWFLSA-N 381.432 1.923 0 50 GDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(CCCc1ccccc1)CC2 11983366 KUCTXCHTRLPLKI-QGZVFWFLSA-N 385.512 1.983 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)cc1C 11998190 LEEITPHYSITLLX-SFHVURJKSA-N 389.496 1.332 0 50 GDAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)CCn3cncn3)C1)CC2 12469678 GRJXMDQOBWHCOO-GOSISDBHSA-N 399.495 1.735 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)cn23)n(C)c1=O 13815944 WUYITNRZNLQQLD-UHFFFAOYSA-N 387.827 1.747 0 50 GDAA Cc1cc(C)cc(C(=O)NCCn2cc(C(=O)NCc3ccncc3)nn2)c1 14981763 QXVNAWAOLBRZLN-UHFFFAOYSA-N 378.436 1.650 0 50 GDAA COc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 19782436 OIPPKNITRNBAPY-IBGZPJMESA-N 393.443 1.785 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CC[C@H](N(C)C)C3)cc12 1857690552 NAMDMIVNLVZFEW-HNNXBMFYSA-N 391.537 1.935 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCCN(C)CC2)CC[C@@H]1NC(=O)Cc1cccnc1 1857704586 YLYSVMOYIPEVKU-FHWLQOOXSA-N 388.512 1.088 0 50 GDAA COCC1(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)CC1 1857732786 GUBRMRJSTUFCRE-BQFCYCMXSA-N 386.448 1.387 0 50 GDAA Cc1cc(C)n(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1875243591 NXQUWETUXDBEOG-SQWLQELKSA-N 391.497 1.032 0 50 GDAA C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)O 252511476 HEBWAQMHVVNQHA-YNEHKIRRSA-N 388.511 1.955 0 50 GDAA CCC(CC)(CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 1261112935 IAPHDLJAXIEQMB-WBVHZDCISA-N 387.480 1.818 0 50 GDAA CO[C@@H](CS(=O)(=O)Nc1nnc(-c2ccc(F)cc2F)o1)[C@@H]1CCOC1 864096891 RGAKIVOXADNJPC-RNCFNFMXSA-N 389.380 1.808 0 50 GDAA Cn1nccc1CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2N)CC1 1875295605 KVSXBXSRGDKSRB-UHFFFAOYSA-N 383.431 1.285 0 50 GDAA N[C@@H]1CN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@@]2(CCOC2)C1 1875291134 PAMSNPKAYGGTEC-RXVVDRJESA-N 375.488 1.946 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnn4ncccc34)C2)c1C 1875399709 HSXHXDKXTIOLMM-MRXNPFEDSA-N 394.483 1.206 0 50 GDAA CS(=O)(=O)c1ccc([C@]2(NC[C@H](O)COCc3ccco3)CCOC2)cc1 1875391976 VJNVFFYKMUWKJL-LPHOPBHVSA-N 395.477 1.466 0 50 GDAA COc1cncc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c1C 1875397566 FBTXVWVIIIQRKG-QGZVFWFLSA-N 398.511 1.876 0 50 GDAA C=CC(=O)N[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1 1875388171 PHDXERNOSKYCDQ-GDBMZVCRSA-N 381.498 1.110 0 50 GDAA CCC[C@H](C)C(=O)N1CC2(CCOCC2)C[C@H]1CNC(=O)C(C)(C)C(N)=O 1775997427 HFSXDQORWLHGHW-GJZGRUSLSA-N 381.517 1.448 0 50 GDAA O=C(N[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)cc2)C[C@H]1O)c1ncc[nH]1 2100555549 WHSVSMLGMFFHMX-NWANDNLSSA-N 376.844 1.639 0 50 GDAA O=C(C[C@H](Cc1ccccc1)C(=O)O)NCCn1cnc2sccc2c1=O 2325851801 JUAQXCZWVIRNQO-AWEZNQCLSA-N 385.445 1.908 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1079891 WESQDLZUOZPQBD-CQSZACIVSA-N 377.441 1.938 0 50 GDAA CCOC(=O)c1sc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1C 4142741 QIYJMJXTVQZSHW-LLVKDONJSA-N 379.438 1.238 0 50 GDAA Cc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 10111512 BEIPICKBBUROEV-UHFFFAOYSA-N 375.494 1.868 0 50 GDAA CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 26463396 NXGXFAKJUWEFEC-CGXUPHRESA-N 399.443 1.908 0 50 GDAA in-vitro CC(C)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nn1 67955915 XEFBTWNYJZRSPG-FQEVSTJZSA-N 380.452 1.946 0 50 GDAA CN(CCOc1ccccc1)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20514075 WGFCZXNTTLJTFH-GOSISDBHSA-N 389.496 1.095 0 50 GDAA O=C(C1CCCCCC1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72448330 IWMJPCJZFHHVAF-MOPGFXCFSA-N 391.537 1.862 0 50 GDAA CCC[C@H]1CN(C(=O)c2cc(CC(C)C)nn2CC)C[C@@H]1NS(C)(=O)=O 219287563 HYSLXLBGZOZIJX-HOCLYGCPSA-N 384.546 1.891 0 50 GDAA CCN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)C[C@@H]1c1ncc[nH]1 328614880 ANFUKMSGSQLEHV-GFCCVEGCSA-N 394.888 1.778 0 50 GDAA NC(=O)N1CCC[C@@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 154126676 GYDDMOFSZXTAPA-CQSZACIVSA-N 380.439 1.836 0 50 GDAA CCN(C)C(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 363946963 GQWCNSUAUDAABZ-CYBMUJFWSA-N 397.422 1.735 0 50 GDAA CCCCN1CCN([C@@H](C(=O)NC2CCOCC2)c2ccccc2)C(=O)C1=O 77471091 KELREGVRHFVPNM-GOSISDBHSA-N 387.480 1.494 0 50 GDAA O=C(CN1CCNCC1=O)Nc1ccnn1Cc1cccc(Br)c1 236570015 HXYGPNWDPYCMLC-UHFFFAOYSA-N 392.257 1.064 0 50 GDAA Cc1ccc(C2(CN3CCCC3)CCN(C(=O)CN3CCCC3=O)CC2)nc1 71278691 XFKAXWDNBIXXBM-UHFFFAOYSA-N 384.524 1.968 0 50 GDAA CC(=O)NCCNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72166015 YOFJCXWHKQLVSD-UHFFFAOYSA-N 379.504 1.951 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@@H](C)N3CCOCC3)c12 72433164 VMOAPIZXSYPKNP-CQSZACIVSA-N 381.484 1.891 0 50 GDAA Cc1nc([C@H]2CCCN(CC(=O)N(C)C(C)C)C2)cc(N2CCOCC2)n1 72462931 PVQVNHXPIAVKCW-KRWDZBQOSA-N 375.517 1.668 0 50 GDAA CCN1CC[C@@H](C(=O)NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)C1 71754657 UGWGTFQTAOVUQS-CQSZACIVSA-N 386.496 1.947 0 50 GDAA CCCS(=O)(=O)N1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 174843551 YNVXBFPRJHIVDH-UHFFFAOYSA-N 379.433 1.474 0 50 GDAA O=C(NCCCN1CCC(O)CC1)N1CCC([C@H](O)c2ccccn2)CC1 426423116 TWSDXAHCHYJSCI-IBGZPJMESA-N 376.501 1.383 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc1 220239616 IAERJWLNQCMOGZ-GOSISDBHSA-N 378.498 1.381 0 50 GDAA Cc1ncc(C)c(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 426642832 ACFVAUKQAVDXLS-INIZCTEOSA-N 385.516 1.563 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(N)nc2)CC1 96137595 VYJYNBRXKPPMIB-GOSISDBHSA-N 376.501 1.643 0 50 GDAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc1 333275955 DHOIQOUKLIWHJD-MRXNPFEDSA-N 398.506 1.011 0 50 GDAA Cc1nc(CCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n[nH]1 95510641 ZECSZXULOIRBDA-ZDUSSCGKSA-N 397.526 1.324 0 50 GDAA Cc1ccc(-c2ncc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(=O)[nH]2)cc1 92047006 YIFONRUEOFYJQK-UHFFFAOYSA-N 380.448 1.972 0 50 GDAA Cc1ncncc1C(=O)N1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 96148269 NPJFFWHDEMTZJO-UHFFFAOYSA-N 380.456 1.487 0 50 GDAA CNC(=O)c1ccc(Cl)c(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1 96160051 YYKRNMBIXFZEQG-GFCCVEGCSA-N 381.864 1.018 0 50 GDAA Cn1c(CN2CCc3nnc(-c4ccccc4)n3CC2)nnc1[C@H]1C[C@@H](N)C1 244712755 KWNBWQZDGOFGIZ-IYBDPMFKSA-N 378.484 1.337 0 50 GDAA CCNC(=O)c1cc(NC(=O)NCCS(=O)(=O)N(C)C)ccc1Cl 299786667 NWYABIXQUQIRPI-UHFFFAOYSA-N 376.866 1.103 0 50 GDAA CN1CCc2cc3c(c(OCC(=O)NCCc4ccncc4)c2C1=O)OCO3 827841231 FEWHTDIACXZXPY-UHFFFAOYSA-N 383.404 1.176 0 50 GDAA biogenic COc1cccc(C)c1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 952986962 HFKUEVDCFQBLPO-UHFFFAOYSA-N 380.510 1.775 0 50 GDAA CCc1nccn1CCC(=O)NC[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 952969041 RCVXXSOPVILMTN-MRXNPFEDSA-N 397.545 1.004 0 50 GDAA Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)O 275246428 KTHHGZYBBONJRR-VIFPVBQESA-N 382.463 1.994 0 50 GDAA C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCN1CCO 188791204 DXIWANUEENWENR-NVXWUHKLSA-N 393.915 1.717 0 50 GDAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 189199361 OLKRJVVJQHCKTB-WCQYABFASA-N 376.360 1.642 0 50 GDAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCN(CC(=O)NC(C)(C)C)CC1 1506410843 GBWCZUYWYSKNAY-SFHVURJKSA-N 377.485 1.662 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)C1 1506421614 JTPLSRSGFIETCD-MRXNPFEDSA-N 381.498 1.506 0 50 GDAA COc1ccc(Cc2nc([C@H]3CCC(=O)N3)n(-c3ccnn3C)n2)cc1OC 1772805534 OBXDQPKKZATTJW-CYBMUJFWSA-N 382.424 1.560 0 50 GDAA COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CCN(CCC(C)C)CC2 12167270 WWHAYJFDKLUBTQ-UHFFFAOYSA-N 390.528 1.149 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCSCC3)C2=O)cc1OC 206241042 UXNHAEQZDRIFHI-CYBMUJFWSA-N 393.465 1.090 0 50 GDAA Cc1nsnc1C(=O)N1CCC[C@]2(C1)CN(c1ncccc1F)CC[C@H]2O 1857683621 YCEYXJZDAXHEEB-RDTXWAMCSA-N 391.472 1.874 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccc(CN)cc2)cn1 1857736313 OQOVHDDGDISERW-SFTDATJTSA-N 397.523 1.947 0 50 GDAA Ic1ccc2ncnc(NCCN3CCOCC3)c2c1 19792838 FDJIIZRCZYOMGJ-UHFFFAOYSA-N 384.221 1.979 0 50 GDAA O=C(C1=CCCC1)N1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 212769693 DGAMTRSYQGUDPU-VXKWHMMOSA-N 383.536 1.919 0 50 GDAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1ccc(OCC(F)(F)F)nc1 328636669 VQLPKQZYVZFTCP-NSHDSACASA-N 390.387 1.760 0 50 GDAA CC1(C)C(=O)NCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 130277866 QJRDNSDAQNBBIY-UHFFFAOYSA-N 377.242 1.985 0 50 GDAA COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)cc1OCC(N)=O 363483827 LXIBHKDTSLWMND-QGZVFWFLSA-N 397.431 1.471 0 50 GDAA Cc1nc([C@@H](C)NC(=O)c2ccc(CNS(C)(=O)=O)o2)sc1C(=O)O 262766951 KYKZLAXTGGHZEB-MRVPVSSYSA-N 387.439 1.283 0 50 GDAA COC[C@@]1(C(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)CCNC1 952894106 LYDZQXNYMRWIIF-HXUWFJFHSA-N 384.484 1.209 0 50 GDAA Cc1cc(O)nc(-c2cccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)c2)n1 1875256980 FQOUXXRNXRXCMZ-UHFFFAOYSA-N 381.396 1.090 0 50 GDAA O=C(O)C[C@H](Cc1cn(CCc2ccccc2)nn1)NC(=O)c1cncs1 1875325463 YJVOSPYAVGZJPA-AWEZNQCLSA-N 385.449 1.793 0 50 GDAA COc1cc2c(cc1OC)[C@@H]1CC(=O)N[C@H](c3cnn(C)c3C)C(=O)N1CC2 1875310778 CABDNCRVGXDKCC-HNAYVOBHSA-N 384.436 1.433 0 50 GDAA C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1)c1ccccc1 1775990436 XIYDPNQZXIHFND-RDJZCZTQSA-N 385.464 1.389 0 50 GDAA Cc1cc(=NC(=O)NCc2cn([C@H]3CCNC3)nn2)[nH]n1-c1ccc(F)cc1 2325758341 FRTONZBEZPJPBK-INIZCTEOSA-N 384.419 1.189 0 50 GDAA O=C1CC[C@H](NC(=O)C[C@@H]2CN(C(=O)c3ccsc3)C3(CCC3)CO2)CN1 2325785287 OJDPKPYWRXQDGH-LSDHHAIUSA-N 391.493 1.297 0 50 GDAA CCN(C)C(=O)C[C@@H]1CN(C(=O)CSc2cccc[n+]2[O-])C2(CCC2)CO1 2325785363 RZKFLIOLGBYJIH-OAHLLOKOSA-N 393.509 1.431 0 50 GDAA Cc1nccnc1CN=c1[nH]cncc1C(=O)N1CCOC[C@H]1CC(C)(C)C 2325825537 UEJMXEPIRLEVST-OAHLLOKOSA-N 384.484 1.886 0 50 GDAA Cc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(C)cc2)cc1 1839084 UAAGJQCBFHWDGM-UHFFFAOYSA-N 382.416 1.576 0 50 GDAA COCCNc1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1C 2488364 QJEHRDYDPABIAC-UHFFFAOYSA-N 377.832 1.194 0 50 GDAA biogenic O=C(NCc1[nH]nc2ncccc12)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356147401 UNVANLSDEDJNHG-MSOLQXFVSA-N 392.419 1.100 0 50 GDAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccc3nnc(-c4cccn4C)n3c1)C2 2356170825 VRLQKYPOYHUGAO-UHFFFAOYSA-N 389.419 1.293 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1 4738747 YUFGHHOPJNNWMV-UHFFFAOYSA-N 389.481 1.563 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccon3)C2=O)c1OC 67834162 VCPZJNIJOJQMKU-HXUWFJFHSA-N 389.452 1.677 0 50 GDAA CC1=C(C(=O)NCCc2cn3nc(C)sc3n2)[C@H](c2ccoc2)NC(=O)N1 67743037 LQKCRLHKXGVTGF-AWEZNQCLSA-N 386.437 1.679 0 50 GDAA CC[C@@H]1CN(CCNC(=O)c2nc3ncccn3n2)Cc2cc(OC)ccc2O1 11783207 GYCPXPRGTIAXOE-OAHLLOKOSA-N 396.451 1.536 0 50 GDAA Cc1ncsc1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 11873396 FSWIDCPYBZAFJG-OAHLLOKOSA-N 376.482 1.484 0 50 GDAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccnc(-n2ccnc2)c1 119758529 YVWWGRFMBQEBSM-UHFFFAOYSA-N 391.439 1.153 0 50 GDAA CCCn1nc(C)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1C 125358448 VUPMOUBPZGVTSW-UHFFFAOYSA-N 386.500 1.926 0 50 GDAA CCc1nnc([C@@H]2CN(C(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CCO2)o1 329872907 DKNHWUBTONAGCM-UWHIDBLNSA-N 375.347 1.888 0 50 GDAA CCn1nc(C)c(CCNc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)c1C 77486716 YDHYNOSIMJVNOQ-UHFFFAOYSA-N 385.516 1.935 0 50 GDAA O=C(CNS(=O)(=O)c1cccnc1)N1CCCN(c2ccccc2F)CC1 365664781 XCNQTKOQFPVBJX-UHFFFAOYSA-N 392.456 1.238 0 50 GDAA Cc1c(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)N3CCCC3)no2)cnn1C 72429535 NWAPJRFOOXMCNQ-AWEZNQCLSA-N 387.440 1.237 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(OC)c2OC)c1 71575745 NCCWBLXWBGZEFA-UHFFFAOYSA-N 395.433 1.994 0 50 GDAA O=C(N[C@@H]1CCc2nnnn2CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 333721218 JSDMYWGHHVWNEH-FGTMMUONSA-N 381.484 1.151 0 50 GDAA COC[C@@H](C)n1c(CCCC(=O)N2CCC(O)(CO)CC2)nc2cccnc21 77504525 CDMCZODIVFAOHQ-OAHLLOKOSA-N 390.484 1.307 0 50 GDAA COc1cccc(N2C[C@H](C)N(C(=O)Cn3[nH]c4ccccc4c3=O)CC2=O)c1 82134698 FINVKNRYEWUBMX-AWEZNQCLSA-N 394.431 1.602 0 50 GDAA CCOc1cccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 82121493 ABOWHOBVVTYDMU-UHFFFAOYSA-N 378.498 1.737 0 50 GDAA Cc1ccc2oc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)c(C)c2c1 220634744 LPSFXACDJWLCOA-HVDRQEDPSA-N 378.450 1.485 0 50 GDAA Cn1cc(C(=O)O)c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 20614908 DTNULPUSAQVIOB-UHFFFAOYSA-N 380.807 1.869 0 50 GDAA O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230215136 FTYCTWOINGVFCU-WBVHZDCISA-N 382.416 1.661 0 50 GDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCOCC2)c1 95523748 JZRXXFAULKZRJX-UHFFFAOYSA-N 376.453 1.947 0 50 GDAA CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95511466 ZCGAMZPAETYIGS-SFHVURJKSA-N 399.539 1.897 0 50 GDAA NC(=O)C1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)CC1 91416814 KQOBUIHBRKZIKU-UHFFFAOYSA-N 391.418 1.571 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)COCc1ccccc1)C2 95361885 DRNLHQCUNOQGKW-ZWKOTPCHSA-N 380.448 1.756 0 50 GDAA CN(C)C(=O)N1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1 95378225 WQWFCGPWAJIZSF-KRWDZBQOSA-N 384.484 1.531 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(=O)N(c2ccccc2)C[C@H]1C 91586110 GAGJLZMQRKTLBP-LLVKDONJSA-N 382.873 1.808 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)Cn3nc4ccccc4n3)C2)CCC1=O 91475162 VGAKAQVLFLPKGE-FQEVSTJZSA-N 385.468 1.309 0 50 GDAA Cc1ccccc1[C@@H](C(=O)NC1CCN(C(=O)N2CCOCC2)CC1)N(C)C 95508333 LVVBEOWXSSZICG-IBGZPJMESA-N 388.512 1.631 0 50 GDAA COc1cccc(-n2cc([C@H](C)NC(=O)N3CCS(=O)(=O)CC3)cn2)c1 534656820 YWJAJYODKMCFDJ-ZDUSSCGKSA-N 378.454 1.382 0 50 GDAA COC(=O)c1cc(CN)cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 299798289 RCYBUMQNTMHMMV-UHFFFAOYSA-N 378.406 1.504 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)CN(Cc2ccc(F)cc2)CCO3)=NN1 828250386 DJUGEFSOYHXAOE-UHFFFAOYSA-N 388.443 1.285 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)C1 952872641 SHDNWQQVOVGKJS-QGZVFWFLSA-N 394.497 1.399 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)n(C)n1 277982347 NSWAJSQXQPLWIM-IRXDYDNUSA-N 383.500 1.670 0 50 GDAA Cc1nonc1CN1C(=O)c2cccc(N3CCN(CC(C)C)CC3)c2C1=O 199287858 WPVYMTWKCQVMCI-UHFFFAOYSA-N 383.452 1.952 0 50 GDAA O=C(Cn1nnnc1CN1CCOCC1)N[C@H]1CCCC[C@@H]1c1ccccc1 1614377335 XUJGLVJOGOLVAC-MSOLQXFVSA-N 384.484 1.348 0 50 GDAA COc1ccc(OC)c([C@H](C(=O)O)N2CCN(C)C3(CCN(C)CC3)C2)c1 1506422693 BZXHASSPRJUYHJ-GOSISDBHSA-N 377.485 1.541 0 50 GDAA CS(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(F)c(F)c2)C1 11782859 MLFMBPFGVDGLSU-DOMZBBRYSA-N 390.427 1.919 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCc1nc(-c2ccccc2)no1 14972117 PFKQUIASBAWBPV-QGZVFWFLSA-N 397.479 1.528 0 50 GDAA CCOCC(=O)N1CCC[C@@]2(CN(CC(=O)NC3CCCCC3)CC[C@H]2O)C1 1857685550 XJWWWGLPVGBOPH-WIYYLYMNSA-N 395.544 1.147 0 50 GDAA CCCn1cnnc1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)Cc1csc(C)n1 1857689943 PREXIGHHCMIWIH-GJZGRUSLSA-N 388.497 1.398 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc(-n3cnnn3)n[nH]1)CC2 1857707529 BQIFSLOCJZHPOT-UHFFFAOYSA-N 389.423 1.027 0 50 GDAA CN1CC[C@@H](C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)C1 1857717679 SLUBJVGLIVWEJS-LJQANCHMSA-N 385.508 1.748 0 50 GDAA Cc1cn2cccc(C(=O)N3C[C@@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)c2n1 1857739637 YGHHBGZGOZJSQD-JPAWQOSXSA-N 377.444 1.852 0 50 GDAA CC(C)c1nccc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCC(F)(F)CC3)C[C@H]2O)n1 1875245272 SAAQCXAYIONFNU-NWANDNLSSA-N 396.438 1.727 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCc2nc(C3CC3)no2)CC[C@H]1NC(=O)c1cc[nH]c1 1875248097 XZAOFSRDDYUPAN-NWANDNLSSA-N 387.440 1.505 0 50 GDAA COc1c(C(=O)O)cc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c(OC)c1OC 1875248153 ZRKOFDIZMSWXCD-UHFFFAOYSA-N 390.392 1.878 0 50 GDAA Cn1cnc(C(=O)N2CCc3ncc(CNC(=O)Cc4cccnc4)cc3C2)c1 1875248644 DCZPATGOTPPLTJ-UHFFFAOYSA-N 390.447 1.268 0 50 GDAA O=C1C[C@@H](C(=O)Nc2nnc(CCN3CCOCC3)s2)C2(CCCCC2)O1 1875251535 RSPUQCLMPFEVBV-ZDUSSCGKSA-N 394.497 1.617 0 50 GDAA Cn1cc([C@H]2[C@H](C(=O)NCC(=O)Nc3ccccc3)CC(=O)N2C(C)(C)C)cn1 225454530 NJESCKOFDZWFJX-APWZRJJASA-N 397.479 1.863 0 50 GDAA O=C(NCC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1OC(F)F 155563910 WECRDHAIJNGHKS-LBPRGKRZSA-N 379.367 1.890 0 50 GDAA C[C@@H]1Oc2ccccc2N(CCC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)C1=O 263912905 KSUUMKRZUAXZJV-HOCLYGCPSA-N 393.443 1.881 0 50 GDAA CCOC(=O)CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 265188342 HJOOWJIOKZOZFO-UHFFFAOYSA-N 386.445 1.759 0 50 GDAA CCO[C@@H]1C[C@@H](O)C12CCN(c1nc(N)c3cc(OC)c(OC)cc3n1)CC2 266069903 XDLBVUDFFLVNSA-IAGOWNOFSA-N 388.468 1.986 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCCN(c2nc(C)ns2)CC1 266513163 FHRCFAUZZJTTGJ-UHFFFAOYSA-N 389.481 1.324 0 50 GDAA O=S(=O)(Cc1noc([C@]2(O)CCCN(Cc3ccccc3)C2)n1)NC1CC1 1875265188 WLOXMIYUIWRVFL-SFHVURJKSA-N 392.481 1.135 0 50 GDAA Cn1cc(C(=O)NCC(C)(C)Cn2cc(-c3ccc(C(=O)O)cn3)nn2)cn1 1875326547 KXQSITCGDXNLSE-UHFFFAOYSA-N 383.412 1.228 0 50 GDAA COC(=O)c1n[nH]c(C2CN(c3ccnc(C)n3)C2)c1I 1875339174 CBQOXWAZIMKFQK-UHFFFAOYSA-N 399.192 1.503 0 50 GDAA Cc1ccc(CC(=O)N2CC3(CN(C)C[C@H]3c3cc[nH]c(=N)n3)C2)c(Cl)c1 1875393166 IFSWKNRHGNLZEG-HNNXBMFYSA-N 385.899 1.951 0 50 GDAA NS(=O)(=O)c1ccc(OCCn2c(Cc3ccc(F)cc3)noc2=O)cc1 1875319068 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COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)c(C)n23)n(C)c1=O 4250767 DBPFUEPBPZSRDA-UHFFFAOYSA-N 395.419 1.237 0 50 GDAA O=C(CN1CC[C@@H](C(=O)O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 2325752939 OPBUXYRKTQUZJY-SJORKVTESA-N 382.416 1.877 0 50 GDAA COCCOCC(=O)N[C@@H]1CC[C@H](NC(=O)c2ncccc2OC(F)F)C1 2325839542 XAWUKJRZWSFJHB-NEPJUHHUSA-N 387.383 1.113 0 50 GDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 633082 XCOAVCGPAJOJAP-NSHDSACASA-N 388.449 1.434 0 50 GDAA O=S(=O)(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 692007 WPUJCWDOPXZBNE-HNNXBMFYSA-N 396.490 1.945 0 50 GDAA O=C(NCCc1cnccn1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356142313 NCJJLYMCBPNHDI-KUDFPVQQSA-N 377.448 1.467 0 50 GDAA CCCNC(=O)[C@H]1CN(C(=O)N[C@@H](C)CCS(C)(=O)=O)c2ccccc2O1 225476818 HMLWTKVBPFSGRC-XJKSGUPXSA-N 397.497 1.313 0 50 GDAA O=C1C[C@H](N2CCC(CCN3CCOCC3)CC2)C(=O)N1c1ccc(F)cc1 101413512 RFWVWCAVQQVMTH-IBGZPJMESA-N 389.471 1.892 0 50 GDAA CC(C)CN1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 23353966 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CS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 375030547 KORSDKYZJXKCQL-QGZVFWFLSA-N 386.473 1.944 0 50 GDAA O=C(NCCc1cc(N2CCCC2)ncn1)c1cccc(N2CCNC2=O)c1 72409846 BKFUTORMGULZFX-UHFFFAOYSA-N 380.452 1.579 0 50 GDAA Cc1noc(C)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 287144453 WYPYDGMYZAQALY-NXEZZACHSA-N 384.380 1.577 0 50 GDAA COc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)nn1 426677838 VBVCCYQBTJZEKI-UHFFFAOYSA-N 376.420 1.905 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC1(O)CCCCC1 20500613 QWCUBLCWRMRTLU-QGZVFWFLSA-N 389.496 1.197 0 50 GDAA CCn1ncnc1CN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96152692 NEBSVMIHAOYBHJ-UHFFFAOYSA-N 381.488 1.849 0 50 GDAA Cc1nccn1Cc1nnc(C2CCN(C(=O)CCn3cccn3)CC2)n1C 96167200 CUZKUASSGNWFFV-UHFFFAOYSA-N 382.472 1.361 0 50 GDAA CN(C)c1nccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91656464 MTQFKCBICJGHTD-UHFFFAOYSA-N 395.511 1.946 0 50 GDAA CCc1cc(N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)nc(N(C)C)n1 91595751 GEWFBYUYLVSXOS-UHFFFAOYSA-N 375.473 1.399 0 50 GDAA O=C(CCc1cc2n(n1)CCN(C(=O)c1cnc3ccccn13)C2)NC1CC1 91860236 FVAXQINJLAUWAV-UHFFFAOYSA-N 378.436 1.398 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CC[C@H](Cc4cccc(C(N)=O)c4)C3)nc2n1 91365138 JMEPJVQOLVDQJT-OAHLLOKOSA-N 378.436 1.545 0 50 GDAA CN1C[C@@]2(CCCN(C(=O)CN3C(=O)CSc4ccccc43)C2)OC1=O 95512366 VDALOAANXLFUKY-GOSISDBHSA-N 375.450 1.569 0 50 GDAA COc1cccc([C@H]2CN(C(=O)CN3CCOCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95374207 JKXLJAKBXWDNTL-CEMLEFRQSA-N 385.508 1.416 0 50 GDAA CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 252470004 IQYVMFNRXCKBHJ-MXTNKPTQSA-N 384.432 1.877 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)CNC(C)=O)C[C@@H]1N(C/C=C/c1ccccc1)CC2 534588987 MNIVYJLUERASST-QYNGUKOZSA-N 385.508 1.964 0 50 GDAA CCN1CCN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 299777608 KHBQSGNYVFLIOT-UHFFFAOYSA-N 376.457 1.094 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C2CCOCC2)CC1 824156650 RPLFEMSEPOLOCL-QGZVFWFLSA-N 395.500 1.389 0 50 GDAA Cc1ccc(C(=O)NC(C)(C)CN2CCOCC2)cc1NC(=O)[C@@H]1CCCO1 670448101 SIFLNTAWZWSVNR-SFHVURJKSA-N 389.496 1.953 0 50 GDAA O=C([C@@H]1CCCCS1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 272794012 BKCFRTLKBNDHSQ-AWEZNQCLSA-N 394.522 1.682 0 50 GDAA CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cncnc3N3CCCC3)c2C1 277070333 BLVXEVIGHNOYKP-AWEZNQCLSA-N 383.456 1.224 0 50 GDAA O=C(CCc1nc(-c2ncccn2)no1)NC1CCN(C(=O)c2ccco2)CC1 171027055 GQQAEXVRCSUJJQ-UHFFFAOYSA-N 396.407 1.473 0 50 GDAA CCn1ncnc1CN1C[C@H]2CN(C3CCSCC3)C[C@@]2(CCC(=O)O)C1 1772813565 HTVDBOLUWODIKF-HNAYVOBHSA-N 393.557 1.792 0 50 GDAA Cc1cc(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)cc(C)n1 11768167 ZGZMRKCVGBGARK-UHFFFAOYSA-N 397.527 1.738 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cccc(C)n1 11938134 NURHWVXPPSXZBW-LJQANCHMSA-N 396.491 1.448 0 50 GDAA COC(=O)CCN[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14744776 JPXPCMPHKNIRCL-OAHLLOKOSA-N 376.501 1.785 0 50 GDAA CC(C)C[C@H]1C(=O)N2CCN(C(=O)c3cccc(F)c3F)C[C@@H]2C(=O)N1C 14748989 AGOXFZOOKWSKEC-LSDHHAIUSA-N 379.407 1.505 0 50 GDAA COC[C@H](C)NC(=O)c1cc2c(s1)C1(CCN(CC(=O)O)CC1)OCC2 1857681510 LVBKSENUQZPGNW-LBPRGKRZSA-N 382.482 1.461 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857719645 RVNVIIYLVYHMRD-YJYMSZOUSA-N 399.476 1.726 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(S(=O)(=O)c2c(C)cnn2C)CC1 1857739834 UXYBFLQLSVEPNZ-UHFFFAOYSA-N 377.470 1.201 0 50 GDAA CCN1C[C@@H](C(=O)N[C@H](CC(=O)O)c2cccc(Br)c2)CC1=O 236910306 VOZHJQYIXHQIQG-WCQYABFASA-N 383.242 1.950 0 50 GDAA CCCC[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)C1CCCCC1 1775992256 QHQMABYYOSISRD-WMZOPIPTSA-N 395.544 1.853 0 50 GDAA CCN(C)C(=O)[C@H]1CC[C@@H](N=c2[nH]c(N(C)C)nc3c2CCCC3)[C@H](OC)C1 2100537065 HIRAYWDIVHUYGB-BMGDILEWSA-N 389.544 1.917 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC(C)(N3CCCC3)CC2)ncn1 2325785869 REFQMUBQNXWVBD-QZTJIDSGSA-N 388.560 1.433 0 50 GDAA Cc1c(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)cnc2ccnn12 2325789988 ANFKOVHVYRWDON-UHFFFAOYSA-N 385.449 1.460 0 50 GDAA NS(=O)(=O)c1ccc2c(c1)N(C1=CC(=O)N(Cc3ccccc3)C1=O)CC2 2325863010 QILFSPFUKADQCF-UHFFFAOYSA-N 383.429 1.149 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCO[C@H](c4nnnn4C)C3)ncnc21 2356134016 SSJBZLWZQDCKQF-HNNXBMFYSA-N 399.503 1.926 0 50 GDAA O=C1C[C@H](C(=O)N2CC3(COc4ccccc4C3)C2)CN1Cc1ccccn1 2356138886 RRASOHNUPPKLKV-KRWDZBQOSA-N 377.444 1.894 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1Nc1ccnc(C)n1 2356139973 OKZZEFZOQQRMND-RCCFBDPRSA-N 375.517 1.935 0 50 GDAA O=C(Cn1c(C2CC2)nc2ccccc21)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356145966 ZAZHYSSJNXBVMV-HKUYNNGSSA-N 385.464 1.417 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 4973736 GGCIBGORHQYPOT-UHFFFAOYSA-N 383.489 1.536 0 50 GDAA Cn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(N)=O 8884170 JSFGICZCKCVKNK-UHFFFAOYSA-N 388.280 1.672 0 50 GDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Cc3ccccc3)CC2)n1 67602123 WJWCTUOZWPNJKU-UHFFFAOYSA-N 394.523 1.428 0 50 GDAA CCn1c(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)nn(C)c1=O 67965302 RTLXENZTBAMQML-UHFFFAOYSA-N 385.468 1.514 0 50 GDAA Cc1cnn(C[C@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCO2)c1 172756450 DLTWEJUQUFBPFQ-MRXNPFEDSA-N 391.497 1.180 0 50 GDAA CN(CC(=O)O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 328642473 RBMCCWYCNDKUOX-ZDUSSCGKSA-N 393.871 1.700 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@H]2CCCN(S(C)(=O)=O)C2)n1C 328654162 XGUNIGPYEBVGEA-WBVHZDCISA-N 396.557 1.583 0 50 GDAA Cc1ccc(F)c(NC(=O)C[C@@H]2COCCN2S(=O)(=O)N2CCCC2)c1 72427202 PRDCOEKGHSDARB-CQSZACIVSA-N 385.461 1.504 0 50 GDAA NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 151653102 LBTDQHPHADELMS-SFHVURJKSA-N 398.438 1.542 0 50 GDAA O=C1N[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21 71754972 WYSDTIKRRGAJNH-QGZVFWFLSA-N 393.447 1.261 0 50 GDAA COCCOCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C(C)C)cc2C1 77504710 PNCXCBQUXVIULR-UHFFFAOYSA-N 384.498 1.263 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)CCO1 72408360 GEZNFYQXPWMSDD-KRWDZBQOSA-N 384.392 1.359 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C(=O)O 333943642 RFIDIQKDCVIERO-MRXNPFEDSA-N 387.479 1.283 0 50 GDAA C[C@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 186633825 MMOZCMXFYLBILX-NSHDSACASA-N 377.832 1.805 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)Cc2cc(F)cc(F)c2)C[C@H]1O)c1ccncc1 77375911 GPHOLOJPCWFYIH-IAGOWNOFSA-N 375.375 1.294 0 50 GDAA CN(CC(N)=O)Cc1cc2n(n1)CCN(Cc1ccc3c(c1)OC(F)(F)O3)C2 72159024 JHBOSDJMLOEAGQ-UHFFFAOYSA-N 393.394 1.138 0 50 GDAA CC(C)c1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)c(=O)[nH]1 82160439 YQGMKPHRAVKHDS-UHFFFAOYSA-N 386.456 1.122 0 50 GDAA N=c1[nH]c2ncnc-2c(-c2cccc(C(=O)N3CC(N4CCCCC4)C3)c2)[nH]1 426596682 XNQTZPNBMBRUAZ-UHFFFAOYSA-N 377.452 1.694 0 50 GDAA O=C(Nc1cccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)c1)C1CCCC1 426652091 UEEOHBOHTKSJMO-QGZVFWFLSA-N 385.468 1.463 0 50 GDAA O=C(NCCO)c1ccc([C@H]2CCCN2C(=O)c2nnc3n2CCCC3)s1 20639349 UBYDSTDQCPAXQH-GFCCVEGCSA-N 389.481 1.375 0 50 GDAA O=C(NCCCN1CCCC[C@@H]1CO)N1CCN(Cc2ccc(F)cc2)CC1 426489517 IADMQDANUASDFP-HXUWFJFHSA-N 392.519 1.890 0 50 GDAA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(N2CCNCC2)c(F)c1 237704997 FZWZPKKKNQVDIX-UHFFFAOYSA-N 394.428 1.622 0 50 GDAA C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239235369 VVUPGVHYWPWOGN-IIIIREBLSA-N 397.402 1.993 0 50 GDAA CN(C)c1ncc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 91943564 KFYFWBVQCQXKOW-UHFFFAOYSA-N 383.500 1.561 0 50 GDAA Cc1nn(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(=O)c2ccccc12 91973859 AHOLEELPPRFDKW-OAHLLOKOSA-N 376.416 1.627 0 50 GDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3nccs3)N=C2O)cc1 252490478 KUSIOALEPOPASC-CQSZACIVSA-N 388.449 1.526 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252537058 KFFKFURIFBILHY-UAGQMJEPSA-N 375.469 1.657 0 50 GDAA CCn1nc(CC(C)C)cc1C(=O)N=c1[nH]nc(CCN2CCOCC2)s1 1940196149 NUKZDXRDQUJFEG-UHFFFAOYSA-N 392.529 1.502 0 50 GDAA Cn1nc(CO)c2c1CCN(C(=O)NCc1nc(Cc3cccs3)no1)C2 828837309 ZARJCSJTIQHFMN-UHFFFAOYSA-N 388.453 1.216 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 952984059 UAZUTZULCZEUMQ-CQSZACIVSA-N 386.518 1.976 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c1C 952982743 RIQWPJLOACAIGK-UHFFFAOYSA-N 381.429 1.432 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3cccc(F)c3)cc2)C1 952975040 DBJKSXLGKSDBRH-SFHVURJKSA-N 392.452 1.883 0 50 GDAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(C)C 952976822 MJIWLONAHWVPSQ-OAHLLOKOSA-N 387.440 1.591 0 50 GDAA Cc1cn(C)c(CC(=O)N2CCC[C@](C)(O)C2)c1C(=O)N1CCC[C@](C)(O)C1 194826200 VDZQRZUEBNDNKV-SFTDATJTSA-N 391.512 1.236 0 50 GDAA O=C(c1nc2ccccc2[nH]c1=O)N1CCN(CCOc2ccccc2)CC1 1151856642 WIHOYYONBMHSDU-UHFFFAOYSA-N 378.432 1.760 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)c2cscn2)CC1 1775982448 VKYXRRBIFGRUJN-UHFFFAOYSA-N 394.522 1.668 0 50 GDAA Cn1ccnc1CCN1C[C@H]2CN(Cc3ccncc3)C[C@]2(CCC(=O)O)C1 1772807741 UDGPOTRAZGOZLJ-RXVVDRJESA-N 383.496 1.656 0 50 GDAA Cc1ccc(CCC(=O)N2CCc3nnc(CNC(=O)C4CC4)n3CC2)cc1 12157566 XCEAKJQHYOHQKI-UHFFFAOYSA-N 381.480 1.630 0 50 GDAA O=C(NCCn1nnc2ccccc21)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12439690 YGCQFDXOBYDETD-INIZCTEOSA-N 392.463 1.424 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CCOCC2)c(F)c1 12713872 MWUAUMBUUURTNI-SFHVURJKSA-N 393.459 1.068 0 50 GDAA CN1C(=O)[C@H]2CN(C(=O)c3ccccc3)CCN2C(=O)[C@@H]1Cc1ccccc1 200523793 UBVXLFORFUAKIT-RBUKOAKNSA-N 377.444 1.423 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(c2ccccn2)C1 1857682076 HESPSFVSCGJEKU-HPFXQQBRSA-N 392.525 1.084 0 50 GDAA N=c1ccnc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2F)CCO3)[nH]1 1857683440 UDAOLFNFBYOILG-UHFFFAOYSA-N 385.443 1.816 0 50 GDAA Cc1ccc(OCC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1C 1857710474 YVTIMEDCDPRQSF-FPOVZHCZSA-N 386.496 1.946 0 50 GDAA COCCn1nnc([C@@H]2CN(C(=O)c3sc(C(C)C)nc3C)CCO2)n1 1857724349 WQIPGWQCMQYKBP-LBPRGKRZSA-N 380.474 1.422 0 50 GDAA CCS(=O)(=O)N1CCOC[C@@H](CN2CCN(c3cc(C)ccc3C)CC2)C1 1857728095 NIZTWZXSWWQTFF-IBGZPJMESA-N 395.569 1.724 0 50 GDAA Cc1cc2c(cc1C(=O)N1CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]14)OCCO2 1857729887 VLVKOGAPRYHWLF-KLHJMIIUSA-N 386.448 1.964 0 50 GDAA CCc1nccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)n1 1857732194 GYHDLCZEVSBENO-PMPSAXMXSA-N 384.484 1.395 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NC3(CO)CCCCC3)CC2=O)s1 1857734463 KAGYWKDVILXLAN-LBPRGKRZSA-N 382.486 1.239 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2S(=O)(=O)CC2CC2)cn1 1875250917 BMMVWLJUECIOMA-ROUUACIJSA-N 382.530 1.388 0 50 GDAA Cn1cc([C@@H]2[C@H](C(=O)NCC(=O)Nc3ccccc3)CC(=O)N2C(C)(C)C)cn1 225454466 NJESCKOFDZWFJX-VQIMIIECSA-N 397.479 1.863 0 50 GDAA Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)CCO2)o1 328612918 QAWWAEPHLSJPLB-INIZCTEOSA-N 378.454 1.523 0 50 GDAA O=C(Cc1cccc(Cl)c1)NCCn1cc(C(=O)N2CCSCC2)nn1 12149790 MDSFRYCQKMPAMH-UHFFFAOYSA-N 393.900 1.479 0 50 GDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3sc4c(c3c1)CCNC4=O)C2 248053958 RWQOZMCRYFORGI-OLZOCXBDSA-N 383.473 1.880 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)O)c1ccccc1 262435885 NAXONFWINMJBRP-SMDDNHRTSA-N 395.437 1.290 0 50 GDAA COc1ccc([C@H](O)CN(CCS(N)(=O)=O)[C@@H](C)Cc2ccccc2)cc1 839645921 FYUOKDMLBYVPHB-OXJNMPFZSA-N 392.521 1.950 0 50 GDAA COC(=O)[C@@H](CNC(=O)[C@@](C)(O)c1ccc(F)cc1)Oc1ccc(F)cc1 935121031 YKPYKONPOQBEPT-APWZRJJASA-N 379.359 1.909 0 50 GDAA C[C@]1(NC(=O)c2nc[nH]c3nccc2-3)CCN(C(=O)c2coc(C3CC3)n2)C1 1875308983 KZOHHHQQWKQUIL-IBGZPJMESA-N 380.408 1.810 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCc2ccccn2)cc1OC 2100540365 IUCOVTLOMFXKRF-FPOVZHCZSA-N 386.448 1.992 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3cnn(C)c3C)OCC(=O)N2C2CC2)cc1 2100543394 RZTAKNVPTOQVGZ-UXHICEINSA-N 398.463 1.484 0 50 GDAA Cn1c(N)c(-c2csc([C@@H]3CCN(Cc4ccccc4)C3)n2)c(=O)n(C)c1=O 2325772228 CGYYTLFHHOGGLU-CQSZACIVSA-N 397.504 1.779 0 50 GDAA CC(C)N1C(=O)c2ccc(C(=O)N3CCNC[C@@H]3C3CCC3)cc2S1(=O)=O 2325774996 PTAQWZGXQYBGND-MRXNPFEDSA-N 391.493 1.454 0 50 GDAA O=C1CC[C@@H](NC(=O)C[C@H]2CN(C(=O)c3ccsc3)C3(CCC3)CO2)CN1 2325785284 OJDPKPYWRXQDGH-CABCVRRESA-N 391.493 1.297 0 50 GDAA NC[C@H]1CN(c2cnc(C(=O)NCc3ccc4sccc4c3)cn2)CCO1 2325795431 FKGJITAHLZPNSN-HNNXBMFYSA-N 383.477 1.785 0 50 GDAA CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2nc(O)nc(O)c2c1 2325868709 HNLJNMOFVMVFHG-UHFFFAOYSA-N 381.392 1.454 0 50 GDAA O=C1CC[C@H](N2C(=O)C=C(N3CCc4cc(C(F)(F)F)ccc43)C2=O)C(=O)N1 2325900183 NZWLEOOMJZHIFB-LBPRGKRZSA-N 393.321 1.126 0 50 GDAA CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)CC2)nc1 865875051 FJPLDTKYEBTSDO-UHFFFAOYSA-N 391.479 1.891 0 50 GDAA Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)OCCC(C)C)nnn1C 1490583314 RVGZMFLWGRRBEZ-WCVJEAGWSA-N 377.489 1.436 0 50 GDAA Cn1c(=O)c2nc(N3CCCCC3)n(CC(=O)c3ccccc3)c2n(C)c1=O 622930 IQJSCGDOHOEHBH-UHFFFAOYSA-N 381.436 1.307 0 50 GDAA COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1 803348 ZIVXQTRBQOEZID-UHFFFAOYSA-N 379.438 1.181 0 50 GDAA Cc1cc(C)c(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 1183450 ZBTRNNVRVQAATH-UHFFFAOYSA-N 382.507 1.780 0 50 GDAA Cc1nc(NCCNS(=O)(=O)Cc2ccccc2)cc(N2CCOCC2)n1 65364852 WYBOXNXMXMTJTC-UHFFFAOYSA-N 391.497 1.153 0 50 GDAA CCn1c(CC2CCN(S(=O)(=O)c3cccc(C)c3)CC2)nn(C)c1=O 65528176 SUPRFYNBVBNQRD-UHFFFAOYSA-N 378.498 1.554 0 50 GDAA O=C(NCc1cccnc1-n1ccnc1)[C@H](c1cccnc1)N1CCOCC1 67674250 JWGOHWAGNZABBQ-SFHVURJKSA-N 378.436 1.352 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCCCn1ncc2ccccc21 20209420 AMBMLEJDEVDEFN-IBGZPJMESA-N 383.496 1.699 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 1506397846 DPAXQPGRTDQGBI-KRWDZBQOSA-N 395.525 1.312 0 50 GDAA CCOC(=O)c1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 35800927 YEJDYPYTIAFTAD-QGZVFWFLSA-N 389.452 1.125 0 50 GDAA COCCNC(=O)Cn1cc(NC(=O)N2CCOC[C@@H]2c2ccccc2)cn1 363172076 HPAWESVCDKBEFM-QGZVFWFLSA-N 387.440 1.251 0 50 GDAA Cc1ccc(C(=O)NCCNC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1 363219909 AREDBLRPLAQQLL-IBGZPJMESA-N 387.528 1.146 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CCCN1Cc1ccc(F)cc1 71753521 GJEVFPAYSBOGHT-KRWDZBQOSA-N 388.443 1.987 0 50 GDAA Cc1nc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)cc(N2CCOCC2)n1 72429344 MBOBGZVBOJCTDW-SFHVURJKSA-N 381.480 1.965 0 50 GDAA O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cn(C2CCNCC2)nn1 238012313 DLLNHCIFQFIZEE-HNNXBMFYSA-N 384.267 1.973 0 50 GDAA COc1cccc(N2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2=O)c1 82097105 UKISGFLTKKOUMN-UHFFFAOYSA-N 377.404 1.969 0 50 GDAA COCCn1cc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cn1 176150546 WFGUKQDMKMOLIK-AWEZNQCLSA-N 379.367 1.735 0 50 GDAA NC(=O)C1CCN(CCCNC(=O)c2cccc(-c3cncc(N)c3)c2)CC1 426479747 MNYSLSRNYBFJHC-UHFFFAOYSA-N 381.480 1.648 0 50 GDAA Cc1nc(CNC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)n[nH]1 426512287 PIXKOHYQVBBHOX-UHFFFAOYSA-N 388.431 1.730 0 50 GDAA Cn1ccc(NC(=O)CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)n1 426589744 IKTGWCAWPQNWOL-NRFANRHFSA-N 399.470 2.012 0 50 GDAA O=C(O)[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(N4CCOC4=O)cc3)[C@@H]2C1 290663216 OEVGBUGAAONSLV-XJKCOSOUSA-N 394.449 1.907 0 50 GDAA C[C@@H](C(=O)Nc1cccc(-c2nnn(C)n2)c1)n1cnc2ccccc2c1=O 334161592 DQANXDHKXMMIBV-LBPRGKRZSA-N 375.392 1.787 0 50 GDAA COc1cccc(CN2C[C@@H](c3nc(CN4CCOCC4)no3)CCC2=O)c1 91651648 HBIPGMCOJSYGHH-INIZCTEOSA-N 386.452 1.817 0 50 GDAA Cc1cc(C[C@@H](C)NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n[nH]1 426530813 MVPOXPJYWXJRMY-CYBMUJFWSA-N 399.451 1.432 0 50 GDAA O=C1NCCN(C(=O)Nc2ccnn2Cc2ccccc2Cl)[C@@H]1CCO 96140192 ZWGOMGLGLZKCOF-CQSZACIVSA-N 377.832 1.300 0 50 GDAA CN(CC1CCOCC1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96150762 PNQMKLKQRLPTHO-UHFFFAOYSA-N 378.473 1.538 0 50 GDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C3)c1 96133069 OWGZMJOOSFIMEA-AWEZNQCLSA-N 389.477 1.795 0 50 GDAA Cc1nc(CCNC(=O)Cn2cnc3ccccc3c2=O)nc2c1CCCC2 91321256 ZJZJHLXKYPWJML-UHFFFAOYSA-N 377.448 1.733 0 50 GDAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 95482811 MMQZAMARVHFGCT-FQEVSTJZSA-N 391.471 1.815 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)Cn2cc(C)cn2)CC1 96150880 ZJYMUKQNVDMBFB-UHFFFAOYSA-N 382.472 1.454 0 50 GDAA COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CC2 585390649 ZVMYCBHCYHMWJT-AWEZNQCLSA-N 378.450 1.535 0 50 GDAA O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(OCC(F)(F)F)nc1 183112627 OEUNFWLHYSQJBD-SNVBAGLBSA-N 377.348 1.428 0 50 GDAA NC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1cnn2cccnc12 253403736 HJYNCEMGEDRWKG-CQSZACIVSA-N 397.435 1.381 0 50 GDAA COc1ccc2c(=O)c(C(=O)NCCCc3nnc4ccccn34)c[nH]c2c1 473833488 ZCXOBYYSLFYERV-UHFFFAOYSA-N 377.404 1.942 0 50 GDAA O=C1CO[C@H](CNc2ncc(F)cn2)CN1CC1CCN(CC2CC2)CC1 299755081 BDHHIAFQWOWBJI-QGZVFWFLSA-N 377.464 1.377 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 670469705 FLQZMULQFYOXEP-IBGZPJMESA-N 381.542 1.844 0 50 GDAA CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C 1443858157 HDVVIWCWCBNVGL-STQMWFEESA-N 389.493 1.898 0 50 GDAA CC(C)[C@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1NS(=O)(=O)N(C)C 1565514715 SEANFIOMKFBCNS-SJORKVTESA-N 383.514 1.335 0 50 GDAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565510496 HOFNJGSSRNGGBG-WMZOPIPTSA-N 375.856 1.735 0 50 GDAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cn(CC[C@@H]2CCCCN2)nn1 952976797 MJBZYWVAFFUOJC-LBPRGKRZSA-N 383.416 1.368 0 50 GDAA CCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1OC 952988065 AJPRHABRGIZLPW-AWEZNQCLSA-N 383.470 1.796 0 50 GDAA Cn1ccnc1-c1ccc(N2CCC[C@@H](CNC(=O)C3CCOCC3)C2)nn1 952989783 SKCPMFPDOFKXJE-HNNXBMFYSA-N 384.484 1.636 0 50 GDAA COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 170616372 YOGNNHLXJRVSLM-QMMMGPOBSA-N 395.250 1.496 0 50 GDAA Cc1ccc(C)c(CC(=O)NCC2CCN(CC(=O)N3CCOCC3)CC2)c1 1506431717 WNMNSJOYHFFYIV-UHFFFAOYSA-N 387.524 1.533 0 50 GDAA Cc1ccc(-c2cccc(C(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2)o1 1529142693 PZPBSOLCENMWEF-DLBZAZTESA-N 392.477 1.579 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1csc(-c2ccccc2)n1 1704302484 MPEQBZRKZNGTGI-UONOGXRCSA-N 395.506 1.446 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1 1704314655 WAIJVZXITQAMBN-UHFFFAOYSA-N 380.470 1.041 0 50 GDAA O=C([C@H]1CCCN(Cc2nc(Cc3ccccc3F)no2)C1)N1CCOCC1 12431089 ZYPXXFIWFXMSQL-INIZCTEOSA-N 388.443 1.870 0 50 GDAA COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 12572804 VVCFLNAGZNEXJA-IBGZPJMESA-N 381.476 1.745 0 50 GDAA COc1cc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1C 19821075 ZNTXEHTUVVOXTC-YOEHRIQHSA-N 387.523 1.347 0 50 GDAA Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cnn[nH]3)C2)c(C)s1 1857680526 OXUHAESYCXDCPM-VXGBXAGGSA-N 383.499 1.503 0 50 GDAA OC[C@]12CN(CCCn3cccn3)C[C@H]1CN(C1CSCCSC1)C2 1857695318 DLVFXHBBLPOAMQ-FUHWJXTLSA-N 382.599 1.348 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc4ccccc4n3C)C[C@H]2CO1 1857716640 CPXDWERRODNIDJ-IKGGRYGDSA-N 384.480 1.228 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)[nH]c2c1C(=O)CCC2 1857725259 YVRPCFPEHRZHIW-PXNSSMCTSA-N 399.495 1.720 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1ccco1)N1CC[C@H](CN2CCOCC2)C1 266194428 FWHJQUBPWYFLIK-SJORKVTESA-N 375.469 1.455 0 50 GDAA Cn1c(O)ncc(C(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)c1=O 952895334 UETMEZHOXXPKFN-OAHLLOKOSA-N 399.329 1.093 0 50 GDAA O=C(c1ccc(-c2cccs2)nc1O)N1C[C@]23CCC[C@]2(C1)C(=O)NC3=O 1875297289 JPAFILZIBBKOOO-OALUTQOASA-N 383.429 1.785 0 50 GDAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(OCCCO)c1 1875388081 LZPYWONBOPAWFC-UHFFFAOYSA-N 386.813 1.995 0 50 GDAA C=CC(=O)NCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C 1875301431 KFYINVFQWGZMPA-KRWDZBQOSA-N 386.427 1.830 0 50 GDAA CC(C)[C@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1 4771044 LGEVKSDWSMXKFM-INIZCTEOSA-N 385.461 1.566 0 50 GDAA CC[C@@H](CC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1)C(C)C 2325794894 VPOYZKXXGZUOLF-HYVNUMGLSA-N 393.532 1.173 0 50 GDAA Cn1ncc2c1CN(C(=O)c1cc(Br)c3n[nH]cc3c1)[C@@H]2C(=O)O 2325851927 NADXYOVNLPIVMK-ZDUSSCGKSA-N 390.197 1.841 0 50 GDAA Cn1c(=O)c2c(nc(Br)n2CCCc2ccccc2)n(C)c1=O 623384 SCQNNOQXJWPOTO-UHFFFAOYSA-N 377.242 1.829 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCNC(C)=O)CC[C@H]1Nc1nccc(C)n1 2356156612 KLYKNLQZEUTBAS-GVDBMIGSSA-N 377.489 1.413 0 50 GDAA CN1CC[C@@H](O)[C@H](C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 2356159767 PXVXGLYVQWSCFR-HZPDHXFCSA-N 386.414 1.828 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCc4nc[nH]c4C3)OCC(=O)N2C2CC2)cc1 2356165435 IJYXVMGZGHUVIU-UXHICEINSA-N 396.447 1.434 0 50 GDAA O=C(CCc1cnccn1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168202 TZPNLUNHTNTNRV-WFXMLNOXSA-N 386.496 1.696 0 50 GDAA CCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10434284 BEYDMRMJRUCWPY-UHFFFAOYSA-N 396.513 1.283 0 50 GDAA O=C1[C@@H](n2cnc3c(nnn3-c3ccccc3)c2=O)CCN1CC(F)(F)F 118176396 UVQCQKWVEVSBBC-NSHDSACASA-N 378.314 1.313 0 50 GDAA COc1ccc(-c2nc(CN3CCN(C(=O)c4nc[nH]n4)CC3)c(C)o2)cc1 20860796 BJORMEYHPMOUGE-UHFFFAOYSA-N 382.424 1.735 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](Cn3cc(CO)nn3)C2)c(C)c1 63884915 NWXGALAOWINFRX-INIZCTEOSA-N 378.498 1.797 0 50 GDAA CCO[C@H](C)c1noc(CN2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 229838910 LSSWGVPJSYZWCU-CRAIPNDOSA-N 387.484 1.901 0 50 GDAA O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(C(=O)N2CCOCC2)cc1 1431937 NHKVGKOQYCANKZ-UHFFFAOYSA-N 398.448 1.513 0 50 GDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 11769608 ALSHBZCHUNYKBU-IBGZPJMESA-N 393.447 1.572 0 50 GDAA COc1ccnc(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)c1OC 71776225 DLQOEHSNYXEPLL-OAHLLOKOSA-N 395.463 1.962 0 50 GDAA Cc1nnc([C@H]2CN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CCO2)o1 365820484 XYOCBBMIQYUEQA-UONOGXRCSA-N 394.790 1.876 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(c1ncccc1-c1nc(C)no1)C2 367348939 QKNILJJMFBEIKD-UHFFFAOYSA-N 385.449 1.911 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCN(c2ncccc2F)C1 126119660 VISSVDFMTDBNKK-AWEZNQCLSA-N 386.427 1.744 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cc(C)no3)CC2)C1 71735763 DQYBWVALVFQYIH-OAHLLOKOSA-N 378.473 1.062 0 50 GDAA Cc1ccc2nc(COCC(=O)N[C@H]3CCCN(c4ncccn4)C3)[nH]c2c1 72156165 JVLGYTGVLADWAD-HNNXBMFYSA-N 380.452 1.963 0 50 GDAA CCCNC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 174709535 LOFURBHYBLNQCR-OAHLLOKOSA-N 380.514 1.513 0 50 GDAA CCCN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72436235 LIUKXQBBGAOHET-MSOLQXFVSA-N 392.500 1.909 0 50 GDAA Cc1ccccc1[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(N)=O)NC(N)=O 375872551 FUAGFYKZCKQWRP-MJGOQNOKSA-N 380.448 1.706 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@H]1CCCN(C)C1)C(=O)N(C1CCCC1)C2 71764483 JBHDTRVPMZOXQS-AWEZNQCLSA-N 386.496 1.947 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3n[nH]cc3Cl)CC2)C1 71388810 ZIQVDORZLXDHQG-CYBMUJFWSA-N 397.907 1.142 0 50 GDAA CCc1nc(CN2CCC[C@@H](NC(=O)[C@H](C)Oc3cccc(CO)c3)C2)no1 378321170 WUSYONCBBHVVFG-GOEBONIOSA-N 388.468 1.672 0 50 GDAA COCc1nc(NCCn2nc(O)c3ccccc3c2=O)c2cnn(C)c2n1 72459056 WEYFJZUNTJRQCO-UHFFFAOYSA-N 381.396 1.037 0 50 GDAA NC[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 237981971 GZKYQJHCQDZJKF-VIFPVBQESA-N 377.260 1.332 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 222386063 SYWJQJZCILOZJB-CHWSQXEVSA-N 377.894 1.634 0 50 GDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(CN2CCN(C)CC2)o1 220736025 SWQFMANNNRCBAI-MOPGFXCFSA-N 391.512 1.897 0 50 GDAA Cc1cccc2[nH]c(C3CCN(C(=O)C[C@@H]4C(=O)N(C)C(=O)N4C)CC3)nc12 91585958 BPXXWXVDXDZZQW-OAHLLOKOSA-N 383.452 1.860 0 50 GDAA Cn1nc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)ccc1=O 95530091 PTYOEMLLEDZDOH-MRXNPFEDSA-N 378.436 1.440 0 50 GDAA Cc1nnnn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95387996 ICMGMEQQPJLANP-QFBILLFUSA-N 380.496 1.462 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnc(C)nc1)C2 91690597 NEAPOLFWKYDKNX-SBHAEUEKSA-N 388.512 1.765 0 50 GDAA COc1cc2nc(-c3ccc([C@H]4NC(=O)NC4=O)cc3)nc(N)c2cc1OC 97729768 QGYZIIDIFPCSQL-OAHLLOKOSA-N 379.376 1.777 0 50 GDAA C[C@H]1CNC(=O)CCN1C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91950570 RXURCGJMNWDDJU-PXRHCINRSA-N 384.480 1.588 0 50 GDAA O=C(N1CCCC1)N1CC[C@]2(O)CCN(Cc3cccc4nonc34)C[C@@H]2C1 95358141 IBZMDBSEMJITOR-OXQOHEQNSA-N 385.468 1.697 0 50 GDAA COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1nccn1C(C)C)CC2 91657367 ORFCGFVZNGBAKE-UHFFFAOYSA-N 386.500 1.710 0 50 GDAA Cc1ccc(N2C[C@@H](C)N(Cc3cc(=O)n4cccc(O)c4n3)CC2=O)cc1 91997172 IPLYZGUWCLKJGI-OAHLLOKOSA-N 378.432 1.946 0 50 GDAA Cn1c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)nnc1[C@H]1C[C@H](N)C1 244673550 HRJUAZRJVILQNU-HDJSIYSDSA-N 381.484 1.500 0 50 GDAA Cc1nscc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 181996040 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COCCc1noc(CN2CCCN(C(=O)c3nn(C)c4ccccc34)CC2)n1 1772707609 VWLYDKYXIHHRQC-UHFFFAOYSA-N 398.467 1.493 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1 12034419 ZFTFAMHVCJYCNE-INIZCTEOSA-N 397.479 1.246 0 50 GDAA Cn1cnnc1C1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 12073053 IMXXYKQTTGZPBP-NRFANRHFSA-N 389.544 1.928 0 50 GDAA Cn1ccnc1CN1CC[C@@H](O)[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 1857683850 OONQUYJCRZHXAS-DENIHFKCSA-N 382.508 1.838 0 50 GDAA CCC(CC)CN1CCOC2(CCN(S(=O)(=O)N(C)C)CC2)CC1=O 1857694464 PCQKINPQXHUZGP-UHFFFAOYSA-N 375.535 1.313 0 50 GDAA COCCC(=O)N1CCC[C@@]2(CN(Cc3ccc4c(c3)CCO4)CC[C@H]2O)C1 1857703583 NPPVEVRDCHNHPK-IFMALSPDSA-N 388.508 1.833 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCCc3nc4ccccc4[nH]3)CC2=O)s1 1857721123 ACYQPVRHYRXZOZ-GFCCVEGCSA-N 384.465 1.825 0 50 GDAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4nc5ccc(C)cc5s4)C3)C[C@H]21 1857730692 YWMUKBBJZYQBQP-FJZAXULXSA-N 399.472 1.835 0 50 GDAA CN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)[C@H]1c1cnn(C)c1 115206408 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Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 275336143 RAHLEMKJZXQWBZ-MAUKXSAKSA-N 393.465 1.780 0 50 GDAA Cc1cc(S(=O)(=O)N(C)Cc2ncnn2CC(F)F)sc1C(=O)O 278562290 PVZGNKAFZHTFQB-UHFFFAOYSA-N 380.398 1.432 0 50 GDAA C[C@@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)N1CCc2sccc2C1 189474480 MLXICYNUVDEFCJ-AWEZNQCLSA-N 399.520 1.256 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1704302061 AHOBBQGNHOEYGL-ZBFHGGJFSA-N 378.450 1.635 0 50 GDAA O=C(O)c1cnc(N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c(Cl)c1 1772805547 OETHSRHPJNBKHA-YVEFUNNKSA-N 394.884 1.820 0 50 GDAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1C[C@H](O)[C@@H](Oc2ccccc2)C1 1857529984 SKDTYVQVBYNCMG-IRXDYDNUSA-N 399.838 1.644 0 50 GDAA CNC(=O)c1noc(CN2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)n1 1857687765 DBHXOJUJZODCRZ-LJQANCHMSA-N 384.440 1.282 0 50 GDAA Cn1c(=O)cc(-n2nc(CC(N)=O)nc2[C@H]2C[C@@H]3CC[C@H]2O3)c2ccccc21 1857712790 SNSLZOYZUWMBQA-DETPVDSQSA-N 379.420 1.182 0 50 GDAA Cc1c(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(=O)n(-c2ccccc2)n1C 1857723758 VJHVRQXPRBJOFV-NQIIRXRSSA-N 382.464 1.408 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857737657 XPRSNBXYECJXPP-IUODEOHRSA-N 396.476 1.628 0 50 GDAA O=C1[C@H](n2cnc3c(cnn3-c3ccccc3)c2=O)CCN1CC(F)(F)F 118170304 FIPVKXZSRLMVHF-CYBMUJFWSA-N 377.326 1.918 0 50 GDAA COc1ccc(NC(=O)Cn2nc(C(F)F)c(S(C)(=O)=O)n2)cc1OC 240886236 INZSWHOZEGLFGP-UHFFFAOYSA-N 390.368 1.275 0 50 GDAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 263334084 MBPSPNHHYPDYJA-VHSXEESVSA-N 375.351 1.660 0 50 GDAA O=C(NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(F)(F)C1CCOCC1 842905325 XSJNFNDPUXTSEL-UHFFFAOYSA-N 399.318 1.875 0 50 GDAA COc1ccc(C(=O)N2CCC[C@H](C(=O)NS(C)(=O)=O)C2)c2ccccc12 1875390878 ZBIZTAQMKAUZIC-ZDUSSCGKSA-N 390.461 1.776 0 50 GDAA Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3cccc(N)c3N)C23CCCC3)nnn1C 1875330198 RUZNZISYTLFFQG-OAHLLOKOSA-N 397.483 1.245 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@]3(CCNC3=O)C2)c(F)cc1C 1875307469 ZSCBUHHHCZXQRS-GOSISDBHSA-N 398.456 1.602 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CC4(CCOCC4)C3)C2)c1C 1875397584 GBYJHSFXCDJRAA-MRXNPFEDSA-N 387.528 1.923 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 1875365580 CRBKSFTUGMPOHE-OAHLLOKOSA-N 375.856 1.986 0 50 GDAA Cn1nccc1CC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1c(Cl)cnn1C)CC2 1775990328 FVFYLASIFOWBMX-RDTXWAMCSA-N 390.875 1.303 0 50 GDAA Cc1cc(C)nc(N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)n1 4738744 HKAQZYPBEAMGRK-KRWDZBQOSA-N 383.427 1.687 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCO[C@@H](c4nn[nH]n4)C3)c2)on1 2100473210 GRLKYVKECMXCAW-CQSZACIVSA-N 390.425 1.234 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C[C@H](C)CC(=O)O)CC2)cc1 2325755944 TYVRQCSOKRGQDK-HNNXBMFYSA-N 382.482 1.719 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)C[C@H]1O 2325786166 KHVRKHZINCRNAS-GDBMZVCRSA-N 390.480 1.471 0 50 GDAA CN1CCC2(CC1)C[C@H](O)CN2C(=O)C[C@@](O)(c1ccccc1)C(F)(F)F 2325810748 BKTPIPCJWSBSCQ-MAUKXSAKSA-N 386.414 1.884 0 50 GDAA O=C(NC[C@H]1OCCc2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 2846051 RXDNCRKKOSRSEY-DNVCBOLYSA-N 382.416 1.373 0 50 GDAA COCCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc2C1=O 2878079 XJIGNPSVECETNN-UHFFFAOYSA-N 382.372 1.808 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)c2nnc3n2CCCCC3)C1=O 2356142986 PQPSAQNOLDPUMQ-IBGZPJMESA-N 375.473 1.248 0 50 GDAA CCn1cc(CNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cn1 2356144397 VYMDBSRCJDQGCJ-KUDFPVQQSA-N 379.464 1.851 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnn4cccnc34)C1)CC2 2356145306 KQSUHRRZUVLXDH-HXUWFJFHSA-N 377.452 1.706 0 50 GDAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 4113609 KJGGTKNIHWKKEH-OAHLLOKOSA-N 380.397 1.530 0 50 GDAA Cc1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1 20211056 OCHMEMKUOCXIHA-GOSISDBHSA-N 383.496 1.483 0 50 GDAA CCOc1ccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 65362882 CICRRVIWYCAPCA-AWEZNQCLSA-N 383.514 1.450 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1 467927317 PTIKIGMSMHKKJM-FVCCEPFGSA-N 378.372 1.889 0 50 GDAA O=C(Nc1ccc2c(c1)CN(C(=O)c1nnc3n1CCCC3)CC2)[C@H]1CCCO1 11814297 GIZWUYCRQSETNV-QGZVFWFLSA-N 395.463 1.930 0 50 GDAA Cc1cc(-n2cccn2)ccc1CN1CCN(S(=O)(=O)N2CCCC2)CC1 215397305 WRRQTBJYRPOMED-UHFFFAOYSA-N 389.525 1.639 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccon2)CC1 172795844 SZTAJJRCZLIOGY-FQEVSTJZSA-N 395.463 1.548 0 50 GDAA COc1cc([C@H](NC(=O)NCC(=O)N(C)C)C(F)(F)F)cc(OC)c1OC 482414498 MXWCRZLZKTVFFI-AWEZNQCLSA-N 393.362 1.703 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCN[C@@H](C)C3)CC2=O)cc1OC 262796010 DQBYQZGJASGXQB-UAGQMJEPSA-N 389.496 1.352 0 50 GDAA Cn1cccc1-c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)[nH]n1 218964785 KATLVFPDAHEEIX-DNVCBOLYSA-N 381.436 1.914 0 50 GDAA O=C(O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 262702195 LBHDPZZPDRTFGM-AWEZNQCLSA-N 393.827 1.868 0 50 GDAA COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@H]3CC34CCNCC4)C2=O)c1 261951704 PXPMYLLIVWZZAI-QZTJIDSGSA-N 387.480 1.657 0 50 GDAA O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)NCCCOCC2CC2)n1 373725504 RFXNTLSDQVDQDA-CQSZACIVSA-N 377.445 1.625 0 50 GDAA O=C(OC[C@@H]1CCCCN1Cc1nnnn1CC(F)(F)F)N1CCCC1 375802042 PZZXWLMQSJJPFO-LBPRGKRZSA-N 376.383 1.822 0 50 GDAA CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 240551523 GUJQKVHHLZCKIC-UHFFFAOYSA-N 385.516 1.818 0 50 GDAA CCc1ccc(NCc2cnc(N3CCN(C)CC3)nc2)cc1S(N)(=O)=O 288463802 DZUOCONCZOPJSF-UHFFFAOYSA-N 390.513 1.050 0 50 GDAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 426490414 FUMBSAYXDKTNCB-QGZVFWFLSA-N 380.456 1.270 0 50 GDAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc2c([nH]c1=O)CCC2 223552535 YOXTVDDWNXLSRH-CVEARBPZSA-N 375.450 1.424 0 50 GDAA Cc1ncsc1CCCNC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 426545008 ICPGXBNYOWTECR-CYBMUJFWSA-N 378.502 1.594 0 50 GDAA COCCN1C(=O)NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@H]32)C1=O 229901105 CCPCIENAKDVIIM-KSSFIOAISA-N 377.828 1.576 0 50 GDAA Nc1cc(-c2ccc(C(=O)N3CCN(CC4CC4)[C@H](CCO)C3)cc2)ncn1 426491583 ULJNJJPLGLJVSO-GOSISDBHSA-N 381.480 1.645 0 50 GDAA Cc1cc(=O)n(CC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c2ccccc12 91494663 KDZLPWSLFCHCTR-AEFFLSMTSA-N 399.491 1.953 0 50 GDAA O=C(Cc1c(F)cc(F)cc1F)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91859378 JZAHLOIHCPFVRE-CHWSQXEVSA-N 386.414 1.170 0 50 GDAA N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95504132 OJRUVNHMZCSJCW-SFHVURJKSA-N 379.468 1.326 0 50 GDAA CN1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@]12CCNC(=O)CC2 95355952 UUGUOLMLCQGDLI-LJQANCHMSA-N 387.509 1.575 0 50 GDAA COCCN1CCC[C@]2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)C1=O 95379757 VRANOLOMCJOEGJ-LJQANCHMSA-N 377.464 1.681 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1nc(C)cc1C)CC2 95373056 NXOCJFAARKWHNR-UHFFFAOYSA-N 397.483 1.153 0 50 GDAA CN1C[C@H](NC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CCC1=O 91452426 VDEBMGMTCMMNMH-MJOKBVDLSA-N 384.480 1.588 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC1=O 299748689 HWAGBJAFWONHAY-GFCCVEGCSA-N 397.859 1.176 0 50 GDAA CN1C[C@H](NC(=O)c2ccc(OCCCN)cc2)c2sccc2S1(=O)=O 299778424 POXORNIHYMZHEB-AWEZNQCLSA-N 395.506 1.581 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOc3ccccc3C2)o1 71388681 MJZPNQIPFJWZSH-SFHVURJKSA-N 383.448 1.700 0 50 GDAA CCc1nc(C)c(CC(=O)NC[C@H](c2ccccn2)N2CCOCC2)c(O)n1 823545348 TZMPSGQBIAZYIN-QGZVFWFLSA-N 385.468 1.180 0 50 GDAA CCN(Cc1cnn(CC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 952992081 WPSLILMUZRSOJY-UHFFFAOYSA-N 390.465 1.486 0 50 GDAA O=C1CC[C@H](C(=O)N2CCC3(CC2)CN(CC2=CCCCC2)CCO3)CN1 885939226 YBJSVEGTUCARPM-SFHVURJKSA-N 375.513 1.706 0 50 GDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622931 XZQFBOLUEVYYBK-VIFPVBQESA-N 389.355 1.920 0 50 GDAA C[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 189185990 PUNFDMPSOYTBDX-JTQLQIEISA-N 382.346 1.981 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3C[C@H](O)[C@@H](F)C3)CC2)c1 1616094808 ZUBYUUIZABUWCL-IRXDYDNUSA-N 380.416 1.097 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCCOc3c(cccc3OC)C2)C1 1506424566 LWOCSQHBAANUHM-OAHLLOKOSA-N 384.498 1.883 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CC1=O 1704304348 MLHIFDPYELNGTE-HNNXBMFYSA-N 391.537 1.549 0 50 GDAA CCOCCN1C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@@]2(CCC(=O)O)C1 1772711126 ZBCCDGTVBKLZLP-DNVCBOLYSA-N 379.457 1.567 0 50 GDAA N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 5273810 MAQKGNBGUVFWNR-WOJBJXKFSA-N 393.443 1.531 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1 11753848 SYXMKQCFAIRKEX-AWEZNQCLSA-N 393.465 1.822 0 50 GDAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 12023217 AKRFRUMUKCRSKS-QGZVFWFLSA-N 381.448 1.068 0 50 GDAA CCOC(=O)CNC(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12387099 XXVSKSTZNWFNGV-MRXNPFEDSA-N 397.497 1.091 0 50 GDAA O=C(NCCn1nnc2ccccc21)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 12448497 WPNLVNTYRGZILW-OAHLLOKOSA-N 378.436 1.381 0 50 GDAA CNC(=O)C[C@H]1CN(C(=O)c2coc3c(Br)cccc23)C[C@@H]1O 1857531516 KUFZGTGSFPAJFY-ZANVPECISA-N 381.226 1.764 0 50 GDAA CSCCNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857668339 MCDYSVHKHMTFAD-CYBMUJFWSA-N 376.507 1.961 0 50 GDAA O=C(O)c1n[nH]c2c1CN(C(=O)c1cccc(NC(=O)[C@H]3CCCO3)c1)CC2 1857670927 HNJWSXWAEYFQLO-OAHLLOKOSA-N 384.392 1.424 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCc4ncnn4C)C3)nc2c1 1857672557 GZCBRGRXXKKXJL-CQSZACIVSA-N 398.467 1.930 0 50 GDAA CC(C)CN1CCC2(CC1)OCCc1sc(C(=O)NC[C@@H](O)CO)cc12 1857693243 OGGVLNKHNFHZSH-CQSZACIVSA-N 382.526 1.351 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(c2cc(N)nc(N3CCOCC3)n2)CC1 1857722415 UZNNVZUAQNWDON-UHFFFAOYSA-N 397.483 1.184 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)N3CCC(O)(c4cccnc4)CC3)CC2=O)s1 1857734540 LODTZOHGYDBTNK-CYBMUJFWSA-N 387.465 1.105 0 50 GDAA CCc1cc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)nc(N2CCOCC2)n1 1875246358 NKOATSJHUBKGRQ-OXQOHEQNSA-N 390.484 1.318 0 50 GDAA O=C(CCc1ccccc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 213204461 RDZIMKFONYNABM-MOPGFXCFSA-N 387.480 1.373 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)CCO1 262881503 FNWRNALAMMGSNN-LLVKDONJSA-N 378.322 1.702 0 50 GDAA COC[C@@H](C)NC(=S)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 819029633 YIADVAZMEUTBDI-VHDGCEQUSA-N 397.545 1.622 0 50 GDAA O=C(O)c1cn(CC[C@H]2CCCCN2C(=O)[C@H]2Cc3cc(F)ccc3O2)nn1 1875277539 PWJTWDVGVUVVQW-RHSMWYFYSA-N 388.399 1.890 0 50 GDAA CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1cccc2cnccc12 1875286420 QUNOYMYYZUAJJY-LIRRHRJNSA-N 382.464 1.870 0 50 GDAA CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)c(F)c2)CC1 888103646 RCFLCADVLGDSFX-RTBURBONSA-N 392.450 1.944 0 50 GDAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1CC(C)(C)[C@H]1c1ccncc1 888102590 IFHROCGJVPKOIR-MRXNPFEDSA-N 389.481 1.725 0 50 GDAA CCn1ncc(C(=O)NC[C@]2(C)CN(c3ccc(C(F)(F)F)nn3)CCO2)n1 1775992699 UVSIWZADBALFNI-OAHLLOKOSA-N 399.377 1.132 0 50 GDAA C[C@@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 858393486 TWMJUIJPWZJMLK-AWEZNQCLSA-N 396.443 1.479 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cnc(C)c(C)c2)cc1OC 2100482513 FHHSHKOSJTXMOQ-UXHICEINSA-N 399.447 1.588 0 50 GDAA COCCc1nsc(N2CCOC3(CCS(=O)(=NC(C)=O)CC3)C2)n1 2325785004 YVDNNLYJDWEIAQ-UHFFFAOYSA-N 388.515 1.111 0 50 GDAA OCCN(C[C@H](O)COc1ccccc1)C[C@@H](O)Cn1ccc2ccccc21 2710297 PWXQBQZIYVJPDX-UXHICEINSA-N 384.476 1.736 0 50 GDAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@]12CCCN(CCO)C2=O 2356166122 VRHONDNWOWVNMO-NRFANRHFSA-N 384.480 1.711 0 50 GDAA CN(CCCN1CCOCC1)C(=O)c1cn(Cc2ccccc2Cl)nn1 20776637 GWKSBCXMLDLYNS-UHFFFAOYSA-N 377.876 1.774 0 50 GDAA COc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 100567210 OIPPKNITRNBAPY-LJQANCHMSA-N 393.443 1.785 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 55089491 XXWTXNWKBFYMBR-INIZCTEOSA-N 375.473 1.472 0 50 GDAA CC(C)c1nc(CCn2ccc(=O)[nH]c2=O)n(-c2ccc3c(c2)OCCO3)n1 65375094 BKCFRQBVMWWSDU-UHFFFAOYSA-N 383.408 1.255 0 50 GDAA O=C(c1ccc(NC[C@H]2CCCCO2)nc1)N1CCC(N2CCOCC2)CC1 67867159 RPWKEDGDOAUBHL-LJQANCHMSA-N 388.512 1.999 0 50 GDAA Cn1ncc(N2CC[C@H](CNCc3c[nH]nc3-c3ccc(F)cc3)C2)cc1=O 67965074 WAICAOBQSDWOCH-CQSZACIVSA-N 382.443 1.926 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3cccc(Cl)c3)nn2)CN1 67894954 YSGMYZTYEUBSGO-KBPBESRZSA-N 390.875 1.246 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3sccc3NC(C)=O)C2)nn(C)c1=O 67727497 HNVLRWDJHJLITN-LBPRGKRZSA-N 377.470 1.641 0 50 GDAA Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@]3(CCCN(C)C3=O)C2)cc1 219632913 TYLZIFZFBOBBDC-LJQANCHMSA-N 378.494 1.630 0 50 GDAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)COC[C@H]3CCOC3)CC2)cn1 328624222 CHATXNFNYUTFSN-DLBZAZTESA-N 376.501 1.994 0 50 GDAA COCCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(OC)c4)C(=O)[C@@H]13)O2 77504078 IYVRXWIKBLLUMD-OOSNJVJTSA-N 386.448 1.082 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccn2)CCO1 328622284 BBFRBJLSTWLXRM-KRWDZBQOSA-N 385.420 1.731 0 50 GDAA C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1nnnn1-c1ccccc1 122988296 OYGSRIQYKSFKIY-CQSZACIVSA-N 377.470 1.368 0 50 GDAA C[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 329560349 FXVJECSZYOVZLU-ZIAGYGMSSA-N 398.510 1.073 0 50 GDAA CS(=O)(=O)CC1(CC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CC1 434905550 JRGDYGGKAKLDEB-UHFFFAOYSA-N 393.509 1.265 0 50 GDAA CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)nc2sccn12 77538869 IPUQWOCHMIUHON-MRVPVSSYSA-N 383.904 1.247 0 50 GDAA CN1[C@@H](C(=O)N2CCc3ccccc3C2)C[C@H](c2cccs2)NS1(=O)=O 71384648 MRVHOUCVESSMKP-HZPDHXFCSA-N 391.518 1.913 0 50 GDAA O=C([C@@H]1COCCN1CC(F)(F)F)N1CCn2c(nnc2-c2ccccc2)C1 283209026 AALAEUFGLJZZFA-AWEZNQCLSA-N 395.385 1.550 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC2(CCOCC2)CC1 283994966 MFILPNFNCKFYNZ-UHFFFAOYSA-N 383.466 1.904 0 50 GDAA O=C(NC[C@H](O)c1ccccc1F)c1ccc(N2CCCS2(=O)=O)cc1 175586317 SGIKPUABSAGENB-KRWDZBQOSA-N 378.425 1.829 0 50 GDAA COCCCNC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 227251323 LCRCMBSFWZUWPV-NNFUDEMPSA-N 376.840 1.779 0 50 GDAA CNc1ccnc(-c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c2)n1 48376263 ZMWIMTDJMBZYLK-UHFFFAOYSA-N 389.423 1.816 0 50 GDAA O=C(C1CCC1)N1CCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1 426538094 MWNSZVYCLMPDJQ-UHFFFAOYSA-N 388.493 1.645 0 50 GDAA O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO 220271824 LYCKEBTWJDFXGC-ABHNRTSZSA-N 380.448 1.536 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1c(F)ccc(F)c1F)C2 91620109 LZSAOTZJHGBUPK-UHFFFAOYSA-N 382.386 1.969 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1nccc1C)CC2 95524211 HTCPVEMVAUWQFW-UHFFFAOYSA-N 384.484 1.617 0 50 GDAA COCc1cc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)ccc1OC 95356144 MLWHDXSIPYZOEQ-WOJBJXKFSA-N 377.529 1.129 0 50 GDAA Cn1cnn(-c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c1=O 180526602 VQPVFNBACWOGSB-UHFFFAOYSA-N 391.431 1.946 0 50 GDAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cnc(-c3cccnc3)[nH]c2=O)C1 91943311 MJNUVUCAOGKIEF-NRFANRHFSA-N 376.416 1.874 0 50 GDAA Cc1ccc(OC[C@@H](O)CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 97716745 APDDETWNRRATDX-HNNXBMFYSA-N 384.436 1.747 0 50 GDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 180809530 ACIQLKXDQBKOOY-DXCKQFNASA-N 379.888 1.701 0 50 GDAA O=C(NCCCc1ccc(Cl)cc1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 96131585 HLNIQKIFLPZITM-IAGOWNOFSA-N 393.915 1.473 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc(F)c(F)c1F 244646933 GRYYYUMVVYWMSN-TZMCWYRMSA-N 379.338 1.504 0 50 GDAA Cc1[nH]c2c(c1C(=O)N[C@H]1C[C@@H](c3nnc(CN(C)C)n3C)C1)C(=O)CCC2 244852560 UUPGJGZTPIZCKR-BETUJISGSA-N 384.484 1.708 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O 252536661 JCYPTIUSFSEGAP-BBRMVZONSA-N 376.453 1.582 0 50 GDAA CCCN1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 263618932 WFDOAROJUAGMKU-SFHVURJKSA-N 385.468 1.726 0 50 GDAA Cc1cccc(N2CCN(C(=O)c3cnc(Cn4cncn4)nc3O)CC2)c1 91625857 GIYBWRNXUXBURW-UHFFFAOYSA-N 379.424 1.093 0 50 GDAA O=C(NCc1n[nH]c(=O)[nH]1)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 299794455 KRBQQYFMTWFWCN-UHFFFAOYSA-N 378.820 1.699 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCCOC3)CC2)cc1 584885798 USOQGOYPVSCACB-OAHLLOKOSA-N 382.482 1.345 0 50 GDAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c1 952869508 MTMBDRPYDSYQLL-INIZCTEOSA-N 396.447 1.962 0 50 GDAA COc1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc(-n2cnnn2)c1 952872696 BKZODKWKWKTNQW-UHFFFAOYSA-N 377.364 1.170 0 50 GDAA O=C(Nc1cccc(-c2cnc[nH]2)c1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 952978957 CLOLDOLNPAXSMS-KRWDZBQOSA-N 388.493 1.914 0 50 GDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 275280136 KHHVEDAFEPWDCK-WMLDXEAASA-N 379.438 1.483 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCO1 275710443 OCXVZPAGDSCVJA-HNNXBMFYSA-N 383.448 1.970 0 50 GDAA NS(=O)(=O)c1ccccc1N1CCN(Cc2noc3c2CCCC3)CC1 190328505 UILMCLPVMFBTDZ-UHFFFAOYSA-N 376.482 1.523 0 50 GDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)CN3CCc4ccccc4C3)C1)CC2 1704303388 IQOHSEZPZCACCA-QFIPXVFZSA-N 377.492 1.924 0 50 GDAA CO[C@H]1CN(C(=O)CCS(=O)(=O)c2ccccc2)C[C@H]1Cc1cc(C)no1 1704280347 ZKXFVQUICCOGFI-QAPCUYQASA-N 392.477 1.863 0 50 GDAA Cc1nn2ncccc2c1C(=O)N1C[C@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772813433 ANALGMWMILYRLX-KUHUBIRLSA-N 398.492 1.061 0 50 GDAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCC2(CC1)OCCO2 12315151 PSDJCDAIQJEINY-OAQYLSRUSA-N 388.508 1.812 0 50 GDAA CN(Cc1ccn[nH]1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 12440312 SWONERSJJHLOCT-GOSISDBHSA-N 376.526 1.830 0 50 GDAA Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12835860 OJCFWZDXNAIMBR-AWEZNQCLSA-N 380.518 1.237 0 50 GDAA CCCN1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 14533156 JAWACCDPQKSZFW-UHFFFAOYSA-N 387.480 1.911 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NC1CCOCC1 15064850 RVMLRPZYBMMZFO-MRXNPFEDSA-N 399.413 1.691 0 50 GDAA CN(CCc1ccccn1)C(=O)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857689530 RTLKOZISHYCYQW-UNMCSNQZSA-N 386.540 1.848 0 50 GDAA N=c1nc2[nH][nH]cc-2c(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)n1 1857700215 DIKLZSUIUXPMKW-IBGZPJMESA-N 378.440 1.574 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cc(O)n1 1857718529 IZJDETMTOVNHHC-ICSRJNTNSA-N 399.495 1.897 0 50 GDAA Cc1ccc2nc(N3C[C@H](C(=O)NCCCc4nn[nH]n4)CC3=O)sc2c1 1857733960 HUDSCFSNSHPGNT-LLVKDONJSA-N 385.453 1.220 0 50 GDAA O=C(Cc1cc[nH]n1)N[C@H]1CCC[C@H]2CN(C(=O)c3cn4cccnc4n3)C[C@@H]12 1857741166 GMHAEDLFIBKJOW-IMJJTQAJSA-N 393.451 1.052 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H]4[C@H](O)CC[C@H]4C3)C2)s1 329731225 GPKJIFKNZJIEAH-CAOSSQGBSA-N 398.550 1.687 0 50 GDAA Cn1cc([C@H]2CCCCN2C(=O)c2cnn([C@H]3CCS(=O)(=O)C3)c2)cn1 1875293299 LASJXKNSMXOLCD-JKSUJKDBSA-N 377.470 1.344 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)NCC[C@H]4C[C@H]5CC[C@H]4O5)CC3)ncnc21 1875319525 GRCNFBFNLFCBRT-SQWLQELKSA-N 385.472 1.153 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2CCc3c(cnn3C)[C@H]2C(=O)N(C)C)c1 1875368634 HIXBSDNIJRBPRF-SFHVURJKSA-N 381.436 1.372 0 50 GDAA N=c1ncn(CC(=O)N2CCC3(CC(NC(=O)c4cccc(C5CC5)c4)C3)C2)[nH]1 1875329513 ADHPBKPXRRSQQC-UHFFFAOYSA-N 394.479 1.379 0 50 GDAA O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402934 OQNCTOCXFKDQAX-CEWLAPEOSA-N 397.523 1.351 0 50 GDAA COc1cccc(CC(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)c1Cl 888092849 KNWKOTXTNUMAOT-UHFFFAOYSA-N 386.786 1.557 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCn2cncn2)C[C@H]1NC1CCOCC1 2100482848 CNKYJQXESVAIQJ-CGTJXYLNSA-N 379.505 1.127 0 50 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CCC[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H]1NS(C)(=O)=O 216245521 VTGAUFJCTGERPP-GJZGRUSLSA-N 382.482 1.524 0 50 GDAA CCC1=NO[C@H](CN2CCCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)C1 1772812717 OHIBYVDLXNGZPN-IBGZPJMESA-N 382.468 1.970 0 50 GDAA Cc1nnc(CN2C[C@@H]3CN(C(=O)Cc4ccccc4C)C[C@]3(CO)C2)s1 1772707640 SAPRBFYFSAMZRO-XLIONFOSSA-N 386.521 1.650 0 50 GDAA CCC(CC)C(=O)N1C[C@@H]2CN(S(=O)(=O)CC3CCCC3)C[C@]2(CO)C1 1772812989 UPAWPJUECASKJG-MJGOQNOKSA-N 386.558 1.695 0 50 GDAA O=C(CCc1cccnc1)N1CCCN(C(=O)Cn2nc3ccccc3n2)CC1 1772708140 CHIKGTRGWZVFST-UHFFFAOYSA-N 392.463 1.520 0 50 GDAA CC(C)c1cc(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)n[nH]1 1772491131 AKVDFEBKAKPFIQ-UHFFFAOYSA-N 395.514 1.838 0 50 GDAA CCCCn1c(CN(C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CC 11663400 YVDURRFTODUSBZ-OAHLLOKOSA-N 384.546 1.966 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1Cl 11866006 RAEUAEMEZRAGKO-LBPRGKRZSA-N 379.844 1.425 0 50 GDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1nonc1C 12315183 XQJFAJODEOGKNQ-GOSISDBHSA-N 393.532 1.663 0 50 GDAA COc1ccc(CNCc2cc(C)n(C)n2)c(OC[C@@H](O)CN2CCCC2)c1 12581538 YGOSBUNFBVIZBJ-IBGZPJMESA-N 388.512 1.862 0 50 GDAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)N(C)C)C1 12704829 HYBAYOCRYZJDML-GOSISDBHSA-N 384.498 1.689 0 50 GDAA CCn1nccc1CN(CCO)C(=O)c1c2c(nn1CC)[C@H](C)O[C@H](C)C2 1857528433 MPAKYKQIVGRJGQ-KGLIPLIRSA-N 375.473 1.776 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCc3cc(O)no3)C1)CC2 1857698212 IMMJEWKQAIXVAD-LJQANCHMSA-N 387.440 1.381 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1CCn3ncnc3C1)CC2 1857700840 MSCPSUJWEVPWHZ-INIZCTEOSA-N 376.464 1.868 0 50 GDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)c3cccc(C(=O)O)c3)C[C@]23CC[C@H]1O3 1857727215 NOONRBBGKIRKNY-BVIKNXMNSA-N 380.466 1.115 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCc2ccccc2F)C[C@@H]1O)c1cscn1 1875244472 RUNAVQFJSPVPOB-NOLJZWGESA-N 377.441 1.510 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C(=O)NC)cc3)CCO2)cn1 328636119 VJWLFKKYBSMASK-INIZCTEOSA-N 378.454 1.025 0 50 GDAA 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Cc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCC(CS(C)(=O)=O)CC1 414321377 DUIQQMKJQZICJN-UHFFFAOYSA-N 389.495 1.575 0 50 GDAA COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C[C@H]2CCCO2)cc1OC 8991181 ZFTIRAAUUGLHNM-CYBMUJFWSA-N 383.404 1.948 0 50 GDAA CN1CCN([C@@H]2CCN(CC3=Cc4cc(Cl)ccc4OC3)C[C@H]2O)CC1 20204936 OYGIGBNSBLZDLD-RTBURBONSA-N 377.916 1.798 0 50 GDAA CC(C)=CCN1CCN(C(=O)CCc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72425881 QNMZEECZBVJNED-MSOLQXFVSA-N 377.510 1.290 0 50 GDAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(C)C[C@H](O)CN1CCOCC1 252536171 HTFZSWSFQRAWFO-AWEZNQCLSA-N 394.422 1.224 0 50 GDAA COc1ccc(OC2CCN(C(=O)CN3CCC(C(N)=O)CC3)CC2)cc1 77438968 NEUULMFLUHFCLF-UHFFFAOYSA-N 375.469 1.262 0 50 GDAA Cc1cc(C(=O)N(CC(=O)O)C2CCN(S(C)(=O)=O)CC2)c(F)cc1F 328641607 QQIYNAZTJYLWIP-UHFFFAOYSA-N 390.408 1.224 0 50 GDAA CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 253431085 NXWJHOPULCMGBJ-NRFANRHFSA-N 399.447 1.664 0 50 GDAA COc1cc(CN2CC3(CCN(C(C)=O)CC3)C[C@H]2C(=O)O)cc(OC)c1 72447609 DBEGZDWVFYSJQM-SFHVURJKSA-N 376.453 1.991 0 50 GDAA NC(=O)Cn1cc(C(=O)N[C@@H](c2cccnc2)c2cc3ccccc3o2)nn1 363570956 FLSCEDMDPXNLNM-SFHVURJKSA-N 376.376 1.424 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cnc3cc(O)ccc3c1)CCN2CC1CC1 72478654 LZZNNNKXIZHFLJ-UXHICEINSA-N 387.505 1.634 0 50 GDAA CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72433419 AGVOWVSKAJNZCD-LSDHHAIUSA-N 377.293 1.823 0 50 GDAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 333217190 CTAPXHYYFPBWCE-QKNQBKEWSA-N 388.512 1.883 0 50 GDAA O=c1[nH]nc(C2CCN(c3cc(NCCO)ncn3)CC2)n1Cc1ccccc1 71761224 JSGDWHVYKOEPOI-UHFFFAOYSA-N 395.467 1.198 0 50 GDAA NC(=O)[C@@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 71750913 NIILJPHEUWVLDD-CYBMUJFWSA-N 375.498 1.719 0 50 GDAA O=C1CC[C@H](C(=O)N2CCS(=O)(=O)CC2)CN1CCCc1ccccc1 15064514 CISJGJYCTBUYSR-KRWDZBQOSA-N 378.494 1.115 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@H](O)COc3ccccc3C)CC2=O)c1 82083863 WIPSOVHDJDGHQL-GOSISDBHSA-N 384.432 1.619 0 50 GDAA CC1(C)CN(C(=O)Nc2nc(CS(C)(=O)=O)no2)Cc2ccccc2O1 288749282 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COc1ccc2c(c1)[C@@H](NC(=O)CCc1nc(O)c3cnn(C)c3n1)CCO2 767206917 CVMSFJDJONJAAL-AWEZNQCLSA-N 383.408 1.650 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N(C)[C@H](CN(C)C)c2ccccc2)cc1 1506398976 JADWHICWUQLPTB-GOSISDBHSA-N 375.494 1.970 0 50 GDAA CN1C[C@@]2(CCCN(S(=O)(=O)c3ccc(O)c(C(=O)O)c3)C2)CCC1=O 1506419862 KZYBHYPUELFELY-QGZVFWFLSA-N 382.438 1.114 0 50 GDAA COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OCc1ccc(C)cc1 206530535 UXOKTEAMMBRGAZ-ROUUACIJSA-N 391.489 1.830 0 50 GDAA O=C(Cn1cnnn1)N1CCC[C@H](c2ncnn2-c2ccc3c(c2)CCC3)CC1 1772711273 SAGQVVGSJLMOEU-INIZCTEOSA-N 392.467 1.539 0 50 GDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)Cn3cc4ccccc4n3)CC2)C1 1772813007 SSFUDWYFQXIXGU-GOSISDBHSA-N 399.495 1.801 0 50 GDAA Cc1nc(C(=O)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cs1 12056103 LDFOOKWJQQMVPL-UHFFFAOYSA-N 376.486 1.906 0 50 GDAA COc1ccc(CNCc2ccccc2)cc1OC[C@H](O)CN1CCN(C)CC1 19837146 BDLLXYLFDNFSSC-OAQYLSRUSA-N 399.535 1.972 0 50 GDAA COCc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1 19865600 HAJQCYCPTSZUIL-UHFFFAOYSA-N 396.451 1.401 0 50 GDAA COc1cc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc(Cl)c1OCC(=O)O 1857669291 PKQRJFSBFLFQFT-SCLBCKFNSA-N 385.844 1.643 0 50 GDAA CN(C)C(=O)CN1CCOC2(CCN(C3Cc4ccccc4C3)CC2)CC1=O 1857693438 WVULXOYSPSMNOK-UHFFFAOYSA-N 385.508 1.326 0 50 GDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@H]1CC13CC3)CCCC(=O)NCCO2 1857699828 ZPYRCQRLUAFHSC-QGZVFWFLSA-N 399.491 1.642 0 50 GDAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cn1 1857710095 HHSRJNBMGAZMIL-PMACEKPBSA-N 382.464 1.700 0 50 GDAA CC(C)COc1cc(O)cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1 1857725138 KDWTUESVLCCDKB-BQFCYCMXSA-N 378.469 1.381 0 50 GDAA CCOC(=O)c1ccc(OCCCN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)cc1 1857726753 AWSGAAKOBQYQDH-ROUUACIJSA-N 376.453 1.564 0 50 GDAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1F 1875240855 IELSREPQLIJDEX-GMLUQMLDSA-N 375.488 1.791 0 50 GDAA O=C1CO[C@H](Cn2ccnc2-c2ncc[nH]2)CN1CC1CCN(CC2CC2)CC1 1875245109 KLLHPNZHUDIAPU-GOSISDBHSA-N 398.511 1.623 0 50 GDAA CCOc1ccc(-n2nnc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C)cc1 11690205 BKKIVNQXPKYETM-CQSZACIVSA-N 378.454 1.234 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)CCO1 262881507 FNWRNALAMMGSNN-NSHDSACASA-N 378.322 1.702 0 50 GDAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(=O)(=O)c1ccnn1C)CC2 263832288 CVVLXJTYXNTQLD-CYBMUJFWSA-N 395.437 1.200 0 50 GDAA Cc1ccc(C[C@@H]2CNC(=O)N(Cc3cn(C4CC4)c(=O)nc3O)C2=O)cc1 1875289985 DDBYZAPVNCQZQD-CQSZACIVSA-N 382.420 1.503 0 50 GDAA CCn1cc(Cl)c(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)n1 1875397387 YFQRWBBWMMOGQQ-CYBMUJFWSA-N 391.907 1.691 0 50 GDAA O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCC[C@@H]1COCCN1 1875315039 FTKUDMHHGMIBGI-UYAOXDASSA-N 397.475 1.748 0 50 GDAA COCCCC(=O)N1CCC[C@@H]2CN(C(=O)c3cn(C(C)C)nn3)CC[C@H]21 1775991350 KIFZWYJXLFUONJ-NVXWUHKLSA-N 377.489 1.739 0 50 GDAA Cc1ccc(C(=O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4629465 LLRDOIRIDJZKPU-UHFFFAOYSA-N 381.436 1.225 0 50 GDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H](C(=O)NC2CCC2)C[C@H]1O 2100536871 CLXTWWZAQJCYID-USXIJHARSA-N 382.464 1.923 0 50 GDAA O=C(Cc1cc[nH]n1)N[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3C2)CC[C@H]1O 2100547344 GWKBZRXTEZJDDI-KFKAGJAMSA-N 382.464 1.183 0 50 GDAA Cc1coc(CN2C[C@@H](CC(=O)N[C@H]3CCn4nccc4C3)OCC23CCC3)n1 2325785456 ZWOKAHSACHQTDL-FUHWJXTLSA-N 399.495 1.824 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)CC(F)(F)F)C[C@H]2O)nn1C(C)C 2325794066 POFPFUXRJVFCRN-LERXQTSPSA-N 390.406 1.662 0 50 GDAA CN1CCN2C(=O)c3ccccc3CC=CC[C@]3(CCNC3)C(=O)NC[C@H]2C1 2325888396 OPMXCTJAMDHGCF-PGRDOPGGSA-N 382.508 1.041 0 50 GDAA CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC2(CN(Cc3cnnn3CC)C2)n2ccnc21 2332237557 BEXWBIXTEWXSCX-OIISXLGYSA-N 399.499 1.082 0 50 GDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)c2)n1 2356143979 FICZMYRXWPQAPG-PMACEKPBSA-N 399.491 1.665 0 50 GDAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101072476 VPLJMMJJRRNISS-VJOHVRBBSA-N 382.416 1.997 0 50 GDAA CC(C)NS(=O)(=O)N1CCN(Cc2csc(Br)c2)CC1 225845071 KXSDAIMPDYTKDS-UHFFFAOYSA-N 382.349 1.871 0 50 GDAA Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1 65363821 ANCFAVSEWHEYOD-UHFFFAOYSA-N 392.481 1.675 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCSC2CCCCC2)CC1 10329278 LEODYLVEPILACR-UHFFFAOYSA-N 377.576 1.687 0 50 GDAA COCc1nc2n(n1)C[C@H](NC(=O)c1cccc(OCC(F)(F)F)n1)CC2 135116476 CZONSSVYIFDYFA-SNVBAGLBSA-N 385.346 1.505 0 50 GDAA Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cccnc1N1CCCN(C)CC1 67740296 WSZWFYLPAVZAEF-UHFFFAOYSA-N 383.496 1.469 0 50 GDAA CC(=O)NC1(c2noc(-c3coc(S(=O)(=O)N(C)C)c3)n2)CCCCC1 331536538 HHBHHKBHRWJZKU-UHFFFAOYSA-N 382.442 1.875 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)ccc21 328625003 KFVMMWFJCALMEH-OAHLLOKOSA-N 388.493 1.675 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)NC[C@H]1OCCc2ccccc21 77298941 IYVNAHWGRFIBGU-LJQANCHMSA-N 378.432 1.773 0 50 GDAA Cc1cc(=O)n(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)nc1C 72475360 YIADEFROKIUQRK-UHFFFAOYSA-N 383.477 1.819 0 50 GDAA CCc1cc(N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)n2ncnc2n1 253418764 ZDBBTNQVKCIEEG-QGZVFWFLSA-N 390.451 1.904 0 50 GDAA CCNC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N(C)C)C3)cc2C1 77375812 XBVDDNYQRMESTE-INIZCTEOSA-N 380.514 1.099 0 50 GDAA COc1cncc(S(=O)(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 488519151 YSPCDHCGHUSSJR-ZWNOBZJWSA-N 381.376 1.310 0 50 GDAA Cc1noc(CNC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)n1 378559258 PLFTUIHCWMKPRZ-CYBMUJFWSA-N 386.416 1.988 0 50 GDAA O=C(c1ccc(Cl)cc1)N1C[C@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 71750739 VMFKSTYBWHOABB-ROUUACIJSA-N 386.883 1.743 0 50 GDAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@H](O)CS(=O)(=O)c1cccs1 263364522 LGBYZYFJIJYIFW-ZDUSSCGKSA-N 398.462 1.080 0 50 GDAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cn(CCN3CCNCC3)nn2)C1 82106080 LISQIRSXGHOXPU-GOSISDBHSA-N 382.512 1.512 0 50 GDAA NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)C1 291039721 UPVFPGBQRAMJCD-WIYYLYMNSA-N 388.512 1.311 0 50 GDAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 96299694 VKDUFRPELCATRK-KRWDZBQOSA-N 379.416 1.869 0 50 GDAA Cc1cc(C)nc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 426428347 OUZGIHSQXGRLLY-MRXNPFEDSA-N 385.516 1.563 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1 527942171 CQBJKKUZZXEELT-UHFFFAOYSA-N 392.419 1.695 0 50 GDAA Cc1ccc(N2CC[C@H](CNC(=O)CN3CCN(c4ncccn4)CC3)C2)cc1 244724445 MUHDMTXZOWAKFX-LJQANCHMSA-N 394.523 1.550 0 50 GDAA COc1ccc(NC(C)=O)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 257178171 ZDCKRBLZTQCKNG-INIZCTEOSA-N 396.403 1.733 0 50 GDAA O=C(N[C@H]1CCNC1=O)c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1 534663449 QCPUUDQKDMTXGC-IBGZPJMESA-N 380.448 1.199 0 50 GDAA O=C1CO[C@H](C(=O)NCc2cn3ccsc3n2)[C@@H](c2ccccc2Cl)N1 1940193664 BBWOZDQFNVPZHY-CABCVRRESA-N 390.852 1.922 0 50 GDAA O=C(NCc1csc(-c2cnccn2)n1)c1cn(C[C@@H]2CCCNC2)nn1 584899254 OZSCFZKJIYLJOM-GFCCVEGCSA-N 384.469 1.121 0 50 GDAA Cn1nc(C(N)=O)c2c1CCN(C(=O)NCCCSCc1ccco1)C2 670443503 ZXBUSASLLIOIEY-UHFFFAOYSA-N 377.470 1.503 0 50 GDAA COc1ccc(S(=O)(=O)NCCN2CCC[C@H](CO)C2)c2c1CCCC2 670468402 KBXLQAKHYHGRCB-HNNXBMFYSA-N 382.526 1.557 0 50 GDAA O=C1O[C@H]2CN(c3cnc4ccccc4n3)C[C@H]2N1CCCN1CCOCC1 1565526379 DJPCLWLLUODYOV-MSOLQXFVSA-N 383.452 1.362 0 50 GDAA COc1ccccc1OCCCN1CC[C@]2(O)CCN(S(C)(=O)=O)C[C@@H]2C1 1565526083 OSQNXOWJGBXWLV-LPHOPBHVSA-N 398.525 1.182 0 50 GDAA CN1CCN(Cc2cccc(NC(=O)c3cc4c(=O)[nH]cnc4cn3)c2)CC1 187102589 NIZJCHQXBJSXBK-UHFFFAOYSA-N 378.436 1.318 0 50 GDAA Cc1cn(C)c(CC(=O)N2CCC[C@@](C)(O)C2)c1C(=O)N1CCC[C@](C)(O)C1 194826172 VDZQRZUEBNDNKV-RTWAWAEBSA-N 391.512 1.236 0 50 GDAA Cn1c(N2CCOCC2)nc2cc(C(=O)Nc3cnn4c3NCCC4)ccc21 1529186564 IBZCZIYBKKCJOE-UHFFFAOYSA-N 381.440 1.674 0 50 GDAA Cc1c(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cnn1C 12223713 XGFRJNXBXXJUQQ-LJQANCHMSA-N 378.423 1.650 0 50 GDAA Cc1nn(C)cc1CNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12385550 CLDQCIWFWVJREB-IBGZPJMESA-N 378.423 1.650 0 50 GDAA COCCN(C)Cc1cccc(OC[C@@H](O)CN2CCC(C(=O)OC)CC2)c1 12705187 ABXKBRIYLPOMMZ-IBGZPJMESA-N 394.512 1.390 0 50 GDAA C[C@H]1C[C@@H](C)CN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1 13636526 LVMUTPZRGOUDTF-JZXOWHBKSA-N 386.496 1.320 0 50 GDAA COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N2CCOCC2)C1=O 16671868 DHSLAQVAGVKEMI-QINSGFPZSA-N 376.434 1.980 0 50 GDAA O=C(NCCO)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1 4652728 MBOWLMSNGVAPRM-UVTDQMKNSA-N 379.210 1.922 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3CCCC3)[C@H]2c2cnn(C)c2)CC1 1857689001 ATEMMXHZCRIZMU-PMACEKPBSA-N 389.544 1.516 0 50 GDAA COc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CN3C(=O)COCc2ccccc2)ccn1 1857695171 XMZVBQBYLZCEKB-OALUTQOASA-N 395.459 1.980 0 50 GDAA CN(Cc1cccnc1)C[C@@]1(O)CCCN(c2ccc(-c3nccn3C)nn2)C1 1857716670 DFIBJBIQQQGPQD-NRFANRHFSA-N 393.495 1.735 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC([C@H](O)CN3C[C@H](C)O[C@H](C)C3)CC2)o1 1857718259 QNCSKVIWXMZVFV-RVKKMQEKSA-N 378.469 1.271 0 50 GDAA O=C(CCCn1cncn1)N1C[C@H]2COC[C@@H](C1)CN2CCc1ccccc1 1704312202 NRJWTCCFRBYVPN-UXHICEINSA-N 383.496 1.460 0 50 GDAA C=CC(=O)N1CC(C(=O)N(C)CC[C@H](O)c2ccc(Br)cc2)C1 1875387764 WHTGCDMAUSLNOY-HNNXBMFYSA-N 381.270 1.975 0 50 GDAA CN(Cc1nc(-c2cccs2)no1)C(=O)C[C@H]1SC2=NCCN2C1=O 1875325252 KABAPPJNRDWFMH-SNVBAGLBSA-N 377.451 1.460 0 50 GDAA COC(=O)Nc1ccc(S(=O)(=O)NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 1875331144 RKFWPGASQQZPIQ-WCQYABFASA-N 396.469 1.478 0 50 GDAA CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1875339875 BFSPJTVXYKRQRP-UHFFFAOYSA-N 397.522 1.671 0 50 GDAA CC(C)(C)OC(=O)N1CCC(n2nnnc2NC(=O)C2CCOCC2)CC1 1875339777 YGBFCIJCLURPHE-UHFFFAOYSA-N 380.449 1.610 0 50 GDAA CO[C@@H]1C[C@H](N(C)c2ncnc3c2ncn3C[C@H](O)[C@H]2CCCO2)C12CCC2 888097393 HWCBMNVUGMIMTH-XUWVNRHRSA-N 387.484 1.760 0 50 GDAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NCc3cncc(-c4cccnc4)c3)C2)c1 2325786188 NZBWFBLSFNXIPO-VHKYSDTDSA-N 393.447 1.968 0 50 GDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@@H]1O 2356160090 CPKUVWSDMLVMFN-QFBILLFUSA-N 397.493 1.804 0 50 GDAA O=C(O)CNc1cccc(C(=O)NC[C@@H](c2ccncc2)N2CCOCC2)c1 55071825 VXVQIHQCJQTSPF-SFHVURJKSA-N 384.436 1.381 0 50 GDAA O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCC[C@H](c2ccn[nH]2)C1 67820149 DDXGHPWCUSNZKI-HNNXBMFYSA-N 388.493 1.664 0 50 GDAA O=C1NCCNC12CCN(S(=O)(=O)c1cc(Cl)c(Cl)s1)CC2 67694765 KHJQNRZGYDUDJK-UHFFFAOYSA-N 384.310 1.298 0 50 GDAA Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 67613192 ZIPODRFVSBSRHL-OAHLLOKOSA-N 383.514 1.397 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)cc1 141509288 PJLYNGXRNQTKOD-UHFFFAOYSA-N 379.438 1.575 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccccc3Cl)no2)C1 65363417 OYLVXLGJZMGHPH-NSHDSACASA-N 398.872 1.678 0 50 GDAA CC1(C)C(C(=O)N2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)C1(C)C 77319664 LTODNMVNSHAWJR-CVEARBPZSA-N 391.537 1.574 0 50 GDAA COc1cccc(OC)c1CN1CC2(CCN(C(C)=O)CC2)C[C@@H]1C(=O)O 72406921 ZLIIMHJSHUCXKS-MRXNPFEDSA-N 376.453 1.991 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@@]2(CCCOC2)O1 330081831 PVOADEUZALNQAN-CRAIPNDOSA-N 392.481 1.285 0 50 GDAA C[C@H](CS(C)(=O)=O)NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 172251859 OASVFXRXZIWNRS-GFCCVEGCSA-N 389.468 1.662 0 50 GDAA Nc1nc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cs1 71748041 SWLYJIAITRVCHJ-AWEZNQCLSA-N 391.541 1.455 0 50 GDAA COCCN(C)CCN1CC2(CCN(C(=O)c3ccsc3)CC2)OC1=O 77471552 IPCSHRBJTVNFJQ-UHFFFAOYSA-N 381.498 1.753 0 50 GDAA CCn1ccnc(N2CCC(NS(=O)(=O)c3cccc(F)c3F)CC2)c1=O 365090239 TVBRQGFLLSUTHB-UHFFFAOYSA-N 398.435 1.489 0 50 GDAA COc1nc2c(cc1CNC1CCOCC1)C(=O)N(CCc1ccccn1)C2 71749080 JRBJVOKNPOTZRF-UHFFFAOYSA-N 382.464 1.952 0 50 GDAA O=C(O)CCc1cccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 262342705 CVWWRQRKFYZIOM-UHFFFAOYSA-N 395.423 1.392 0 50 GDAA Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(F)cc4nc[nH]c34)no2)cn1 374837676 JRMJUYVETJDUSK-CQSZACIVSA-N 397.370 1.699 0 50 GDAA NS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 176800201 CATWOUJSKJRUKG-CQSZACIVSA-N 394.884 1.532 0 50 GDAA C[C@@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)N3CCCC3)cc2C1 82156870 VRXRMTAPJYMQSS-INIZCTEOSA-N 387.528 1.701 0 50 GDAA CN1CC(=O)N(CC(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)C1=O 426661928 BRYQBZUUXWSRRZ-KRWDZBQOSA-N 382.420 1.038 0 50 GDAA CC1CCN(CC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C(=O)O)C2)CC1 96150015 HFWNMKSQYNORLA-UGKGYDQZSA-N 385.508 1.764 0 50 GDAA CC(C)O[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91964668 JIARJPLWXUYLBC-INIZCTEOSA-N 376.501 1.997 0 50 GDAA O=C(N1C[C@H](CO)[C@H](CN2CCOCC2)C1)C1(c2ccc(Cl)cc2)CC1 91574713 QQXCINOVLOZRHG-HZPDHXFCSA-N 378.900 1.771 0 50 GDAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c(=O)c3ccccc13)C2 95365227 PITSZYDYXKJIDJ-LSDHHAIUSA-N 392.463 1.691 0 50 GDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 97499485 AVFPWSFTYJRUQX-UHFFFAOYSA-N 383.448 1.689 0 50 GDAA CC(C)(C(=O)O)c1cnc(NCc2cncn2C2CC2)nc1N1CCOCC1 96150237 JYCMYXTVAPWWBD-UHFFFAOYSA-N 386.456 1.819 0 50 GDAA O=C(Cc1ccncc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91663641 QHDWYUMQWJJXHP-UHFFFAOYSA-N 379.464 1.660 0 50 GDAA O=C(CCn1cncn1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 95519534 PVHVSKFLGXFJTL-UHFFFAOYSA-N 396.495 1.537 0 50 GDAA CCN1C[C@H](C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)CC1=O 95384557 XPGJGLAQYPDGLU-QGZVFWFLSA-N 379.464 1.661 0 50 GDAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 267661534 WSXIETICSQSYON-GFCCVEGCSA-N 384.483 1.112 0 50 GDAA COC[C@]1(O)CCN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)CC1(C)C 91779489 PYOCMRUWOTYDSL-LJQANCHMSA-N 383.510 1.795 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c(F)c1F 95382874 RLUHIUJNMHCIOM-LLVKDONJSA-N 382.363 1.511 0 50 GDAA CCc1noc(CN2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 95373828 FXOGXWSBCLMYMG-HLIPFELVSA-N 378.517 1.971 0 50 GDAA CSCC[C@@H](CO)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 253412049 PSMFEVVMILXHDQ-NSHDSACASA-N 383.466 1.745 0 50 GDAA biogenic Cc1nc(CC(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(C)s1 252538624 NBZVXTYKSXPDBL-HDJSIYSDSA-N 385.497 1.738 0 50 GDAA COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(C)c1=O 824134638 XPWKFOOZXDMMJO-AWEZNQCLSA-N 398.415 1.944 0 50 GDAA biogenic CCN1CC[C@H](CN(CC)C(=O)NCc2csc(N3CCOCC3)n2)C1 584896091 ZYLMEGQUGVSXPA-HNNXBMFYSA-N 381.546 1.853 0 50 GDAA C[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)c1nc(C2CC2)no1 584884484 PPONHINKUGSODI-JTQLQIEISA-N 376.417 1.076 0 50 GDAA COCCc1noc(CNC(=O)N2CCN(Cc3cccc(C)c3)C(=O)C2)n1 584889254 WSEDSVHNLMDTMI-UHFFFAOYSA-N 387.440 1.121 0 50 GDAA CN(C)c1ncc(/C=C/C(=O)NCCc2csc(-c3ncccn3)n2)cn1 952976990 ZCJSUZLZDKLMTE-SNAWJCMRSA-N 381.465 1.828 0 50 GDAA CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)C1 952968724 LFPOFKIKYJHRGS-GFCCVEGCSA-N 381.454 1.219 0 50 GDAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c1C 952967002 GTPKLEBJJHRLCI-NVXWUHKLSA-N 383.496 1.864 0 50 GDAA Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 170646855 QGWSHGGVFIWBOC-GFCCVEGCSA-N 376.486 1.915 0 50 GDAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 408469530 SHBSZFAGVYCQCD-ZSYWTGECSA-N 392.521 1.992 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(OCc3cccnc3)CC2)cc1 1506398660 WCGHUNLERGUSDC-UHFFFAOYSA-N 389.477 1.811 0 50 GDAA COCCCN(C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 1529178052 GJWSAMWLTNUWGT-MOPGFXCFSA-N 376.453 1.621 0 50 GDAA CCc1nc(C)c(C(=O)N2CCCN(C(=O)Cn3nc(C)cc3N)CC2)s1 1529154232 IGJLXNIDTBGFIX-UHFFFAOYSA-N 390.513 1.476 0 50 GDAA Cc1nc(O)nc(O)c1CC(=O)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772702790 IVZOZMXPLXPPKA-IERDGZPVSA-N 382.464 1.420 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)c3ccccc3-n3cccn3)CC2)nn1C 1772706309 YTYVJIDPMPFCIN-UHFFFAOYSA-N 392.463 1.903 0 50 GDAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H](O)CO)n1CCCc1ccccc1 11936135 ZQUWGAHUJUDAJF-GOSISDBHSA-N 395.525 1.095 0 50 GDAA Cc1nc(CN2CCN(c3nc4nonc4nc3N3CCCC3)CC2)cs1 15065545 DWUDXOVMKURJEA-UHFFFAOYSA-N 386.485 1.700 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccc4cn[nH]c34)C2)n1 1857532850 TVJDDXOKMRICCI-MRXNPFEDSA-N 379.468 1.698 0 50 GDAA COc1ccc2cc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)ccc2c1 1857669609 OURMNCPQLQEZAH-QFBILLFUSA-N 377.462 1.868 0 50 GDAA Cc1nc2ccc(CC(=O)N[C@@H]3CN4CCCC[C@]4(C(=O)NC4CC4)C3)cc2[nH]1 1857693733 KIXFBLLVDJJCTA-HTAPYJJXSA-N 395.507 1.806 0 50 GDAA Cc1ccc(-c2noc(CCCC(=O)N3CC[C@@]4(CNC(=O)CO4)C3)n2)cc1 1857694205 DYJAWCZYOBYLAK-HXUWFJFHSA-N 384.436 1.485 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N2CCCNC(=O)C2)CC[C@@H]1Nc1ncccn1 1857698666 CKNNMNMKBNQDNA-JYJNAYRXSA-N 375.473 1.201 0 50 GDAA COc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4C(=O)c3cc(C)on3)[nH]c2c1 1857703243 NXSDMNWJEQOACI-IRXDYDNUSA-N 395.419 1.884 0 50 GDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC([C@H](O)CN2CCOCC2)CC1 1857723820 YGBGHKLUOIXHJN-HXUWFJFHSA-N 390.528 1.153 0 50 GDAA Cc1nc(O)cc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC2)n1 1857729043 SEEFHFJCUFLYEO-CYBMUJFWSA-N 387.465 1.706 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)c2c1CCCC2 1875245321 VDGRTOOFBNGEQW-ILXRZTDVSA-N 380.510 1.714 0 50 GDAA CCc1cc(NC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)n(C)n1 329367251 HHHXPELEGOJXCK-ZDUSSCGKSA-N 386.416 1.371 0 50 GDAA O=C(Nc1cnn(CCN2CCOCC2)c1)c1cn(Cc2ccccc2)nn1 264301785 MFLFJSRBUOFIMI-UHFFFAOYSA-N 381.440 1.107 0 50 GDAA CC(C)[C@@H](C(=O)N1CCOC2(CCOCC2)C1)n1nnc(-c2ccccc2)n1 162615730 HYGIXSLKNHXYBB-KRWDZBQOSA-N 385.468 1.945 0 50 GDAA O=C(NCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)c1cc2ccccc2[nH]1 266251624 AVXLMHZMSWBOMS-SFHVURJKSA-N 398.463 1.138 0 50 GDAA CN(C)C(=O)COC1CN(C(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)C1 1875393130 HBHSVRZJVKSLCX-JBYOLUDKSA-N 386.496 1.591 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3nc(Cl)ncc3F)C2)CC1 1875385517 UZJCTGAKSPHOQA-GFCCVEGCSA-N 381.839 1.389 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5nccs5)nn4)ccc3C2=O)C(=O)N1 1875357036 YNNRPCJVZHWMIP-CQSZACIVSA-N 394.416 1.152 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@]2(N)CCC[C@@]2(F)C1 1875328507 VVKNKIMSJIMDKW-NXHRZFHOSA-N 376.411 1.336 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc2c(n1)CCCC2 1875402940 OSSVQGWQUPUCFQ-RGYTYGDFSA-N 375.860 1.775 0 50 GDAA COc1ccc(C(=O)NC[C@H]2COCCN2c2nc(OC)ncc2Cl)cn1 1775989882 CDLBZILDVBXTTK-LBPRGKRZSA-N 393.831 1.177 0 50 GDAA CCC[C@@]1(C(=O)O)CN(S(=O)(=O)c2ccc3c(c2)CCCN3)CC[C@H]1O 2100480607 JJJQNUGMRNZCOY-SJLPKXTDSA-N 382.482 1.671 0 50 GDAA O=C1C[C@@H](CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1 2325763531 AIJKJHZIQAMFTH-TVQRCGJNSA-N 398.246 1.976 0 50 GDAA CC(C)c1c(C(=O)N2CC(=O)N3CCOC[C@@H]3C2)nnn1Cc1ccccc1 2325806446 VMJSPFNJIWUMBW-INIZCTEOSA-N 383.452 1.133 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)c3cn(Cc4ccccn4)nn3)CCN2)cc1 870142069 FORBHBFRODEACT-SFHVURJKSA-N 378.436 1.517 0 50 GDAA COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 2163552 TWEPDSCLQCFHHQ-UHFFFAOYSA-N 379.463 1.778 0 50 GDAA O=C(NCc1nnc2n1CCCC2)c1cc(Br)cc2nn[nH]c12 225726447 PBJOSICRVYGNQX-UHFFFAOYSA-N 376.218 1.578 0 50 GDAA Cn1cc(-c2ccnc(N3CCCN(CCCN4CCOCC4)CC3)n2)cn1 23250802 KOKABISVXVHILN-UHFFFAOYSA-N 385.516 1.112 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNC3(C(N)=O)CCCC3)C2=O)c1 67741898 LJOXEZXJXQLJFS-HXUWFJFHSA-N 393.459 1.076 0 50 GDAA Cc1ccc2c(c1)c(C(=O)NCc1cccnc1N1CCN(C)CC1)nn2C 67769681 BROHVHFUBOZRSM-UHFFFAOYSA-N 378.480 1.959 0 50 GDAA CCc1c(C)nn(CCNC(=O)C2=C(C)NC(=O)N[C@H]2c2[nH]cnc2C)c1C 67713967 ZZFUENBPXPVFGC-QGZVFWFLSA-N 385.472 1.538 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@H]2c2nccs2)CC1 11765659 ZCEXGUPRNORKMC-AWEZNQCLSA-N 375.502 1.725 0 50 GDAA Cc1c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cnn1C 2800221 GAKNAZCMOGRNHJ-CQSZACIVSA-N 394.472 1.585 0 50 GDAA COCCn1cc(C[C@@H]2N=C(O)N(Cc3cc(F)cc4cccnc34)C2=O)nn1 328613432 RZPCXGLOIXTBBB-INIZCTEOSA-N 398.398 1.479 0 50 GDAA Cc1c[nH]c(CN2CCn3nc(CN4CC[C@H](N(C)C)C4)cc3C2)c(C)c1=O 72478838 RUHRLQMJQJPDAN-SFHVURJKSA-N 384.528 1.340 0 50 GDAA O=C(NCCc1c[nH]cn1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71758886 OXBSOMABXNHGRA-IBGZPJMESA-N 396.539 1.840 0 50 GDAA Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(-c3cccnc3)nc21 72147003 FODJRQXXURUIIC-UHFFFAOYSA-N 395.448 1.685 0 50 GDAA Cc1c(NC2CCN(C(=O)C3CC3)CC2)nn2c(C(F)(F)F)nnc2c1C 332987449 AGFUITTZEHDZDK-UHFFFAOYSA-N 382.390 2.573 0 50 GDAA CC(C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262311382 OCSITVFSBDUCPP-LBPRGKRZSA-N 397.526 1.619 0 50 GDAA O=C(CCN1CCOC[C@H]1c1nc[nH]n1)N1CCN(c2ccc(F)cc2)CC1 375282944 BJMYAXGRDSABNS-KRWDZBQOSA-N 388.447 1.056 0 50 GDAA COc1ccc(CN2CCCO[C@@H](CN3CCCC3)C2)cc1OCC(=O)O 215378555 IFGFXJZSCXGORD-KRWDZBQOSA-N 378.469 1.845 0 50 GDAA CC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)CCN1C[C@H](C)O 241897391 TYIXRQWFOHDYOY-UXLLHSPISA-N 381.542 1.806 0 50 GDAA CCCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 82137816 PBKSVOYNYGALSS-CABCVRRESA-N 384.885 1.590 0 50 GDAA Cc1nccn1CCNC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 426716863 JUIKRQGNRWWQTR-QGZVFWFLSA-N 376.482 1.590 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCCO3)C2 222803222 CKDHPMGFKJQNQM-FQEVSTJZSA-N 393.447 1.679 0 50 GDAA CCCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 82098204 DEQBCJMJIAISMZ-CABCVRRESA-N 384.885 1.590 0 50 GDAA O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccccc1 239025560 BTQJJCMOGKDUQE-PAUSBUDFSA-N 380.400 1.221 0 50 GDAA COCc1noc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1 95383272 WSHDIRGYVUGKGU-IBGZPJMESA-N 377.489 1.125 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)cc(C)o2)CC1 95515247 HSPSYUZFCJADMS-IBGZPJMESA-N 392.496 1.928 0 50 GDAA CC(C)NC(=O)c1ccnc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)c1 95379640 LUPYKSYMFRSPIN-OXQOHEQNSA-N 389.500 1.165 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 230478015 VDHRQVYCQVOPFL-GZBFAFLISA-N 394.468 1.589 0 50 GDAA CS(=O)(=O)N1C[C@H]2CN(Cc3ccnc4ccccc34)C[C@@]2(C(=O)O)C1 96153973 KXPSRPCDGBEYSI-RDTXWAMCSA-N 375.450 1.013 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 95518198 NHPABNRQGBVPPB-HNNXBMFYSA-N 378.436 1.574 0 50 GDAA COCCCN1CC2(CCN(C(=O)CN(C)Cc3ccccc3)CC2)CC1=O 95366507 FUNHLWSKRYVKNF-UHFFFAOYSA-N 387.524 1.996 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)NCC[C@H]3CCCOC3)CC2)c1 528093825 FTCSTCQWMXYXOT-MRXNPFEDSA-N 375.469 1.979 0 50 GDAA Cc1oc2c(c1C(=O)N[C@H]1C[C@@H](c3cc(NCCO)ncn3)C1)C(=O)CCC2 252518165 AEXLEZPARCUKHQ-BETUJISGSA-N 384.436 1.977 0 50 GDAA CCOc1ccccc1N1CCN(C(=O)c2nnn3cc(C)nc(O)c23)CC1 263618124 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CC(C)n1cnnc1CN1C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@]2(CO)C1 1772812196 ILCYRMJZICLDHZ-HRAATJIYSA-N 395.511 1.662 0 50 GDAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCCN1CCOCC1 19901341 YLFFBYNWTIYSFL-UHFFFAOYSA-N 381.432 1.274 0 50 GDAA COc1cnc(C)cc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1857679947 BREKIWTZOMQQCI-VSZUSUSQSA-N 392.503 1.696 0 50 GDAA CC(C)C(=O)NC[C@H]1[C@H]2CN(c3ccc(-c4nccn4C)nn3)C[C@]23CC[C@H]1O3 1857718893 YNGLRVQZRZVLMG-GYQJYAJYSA-N 396.495 1.633 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)N(C)CC3(CO)CCCC3)CC2=O)s1 1857729350 XBWZBHRKDLIRRW-ZDUSSCGKSA-N 380.514 1.855 0 50 GDAA CC(C)CCCN1C[C@@H]2[C@H](CNC(=O)CCn3cnnn3)[C@H]3CC[C@]2(C1)O3 1857732071 AYJIKYVHLFZQJY-DODZYUBVSA-N 376.505 1.095 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O)c1ccncc1F 1875244652 XZGASODQFNNAIL-YSSFQJQWSA-N 397.450 1.764 0 50 GDAA COc1nc2c(cc1C(=O)N1CCc3ncc(CNC(C)=O)cc3C1)CCC2 1875250189 DZKLVNHJPLNGID-UHFFFAOYSA-N 380.448 1.809 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3c(F)cccc3F)nc2)CC1 814929408 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O=C(CCc1nc(-c2ccncc2)no1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 2100541111 WJACUEJXILJRKT-NVXWUHKLSA-N 379.420 1.521 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)CCc3cn[nH]c3)OCC(=O)N2C2CC2)cc1 2100555517 VDVWFVPRSOJKDG-UXHICEINSA-N 398.463 1.550 0 50 GDAA CCn1cc(C(=O)NCC(C)(F)F)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325778687 JZVUOPYNACWADO-UHFFFAOYSA-N 396.413 1.955 0 50 GDAA CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ncc(Br)cn2)C1 2325841262 LXZWWKXEZSIFGM-JQWIXIFHSA-N 384.278 1.048 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cccc3c2CC(=O)N3)c1 2325862979 PKMFUNXBAGGQJR-UHFFFAOYSA-N 381.392 1.430 0 50 GDAA CCn1nnc(C)c1CN1CC2(C[C@H](NC(=O)C[C@H]3CCOC3)c3nccn32)C1 2332237982 SSYIKXQABXQDIQ-CVEARBPZSA-N 399.499 1.002 0 50 GDAA Cn1nc(-c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2c1=O 1114392 BFOFBMIAXQVPOX-UHFFFAOYSA-N 379.416 1.838 0 50 GDAA Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccc(F)cc2)n(C)c1=O 1127845 PXRRIXFUHYOMEP-UHFFFAOYSA-N 394.410 1.628 0 50 GDAA Cn1ccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1=O 2356150929 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1.324 0 50 GDAA COC(=O)c1cc(CN2CCN(CC(=O)N3CCCCC3)CC2)ccc1O 72166076 WTBDIPCVYNOSDF-UHFFFAOYSA-N 375.469 1.309 0 50 GDAA COc1ccccc1N1C(=O)C[C@@H](N2CCC[C@H](N3CCCCC3=O)C2)C1=O 363001796 WAWAYBBWMAQVIM-DOTOQJQBSA-N 385.464 1.804 0 50 GDAA COc1ccccc1CCNC(=O)CN1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 363382547 XJQILQGQRUTCRK-WSTZPKSXSA-N 389.540 1.928 0 50 GDAA CCN1CCN(CCN2CC3(CCN(C4CCOCC4)CC3)OC2=O)CC1 72406772 ALMFXMLUOSPQKB-UHFFFAOYSA-N 380.533 1.090 0 50 GDAA O=C(NCCn1cnnc1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71759331 DWAYUVDGEKEBGM-LJQANCHMSA-N 397.527 1.166 0 50 GDAA CN1CCCN(C(=O)C[C@@H]2COCCN2C(=O)NCCc2ccccc2)CC1 72448197 AERINOGKXMAMKJ-LJQANCHMSA-N 388.512 1.194 0 50 GDAA CN(C)c1ncnc2c1CCN(S(=O)(=O)c1cccc3nsnc13)C2 71419401 FSKZIEZZGOPJHP-UHFFFAOYSA-N 376.467 1.294 0 50 GDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2ccccn2)CC1 44916668 KWBYAPDOFKCVSJ-UHFFFAOYSA-N 393.422 1.793 0 50 GDAA CSc1ncc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cn1 426506849 RKOAEDXDBILYBY-HUUCEWRRSA-N 377.470 1.169 0 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COc1c(O)nc(O)nc1C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 473217355 ZBDYEWTUROMABD-UHFFFAOYSA-N 391.428 1.143 0 50 GDAA CCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1 3091970 DLZHRNPRMVGEIY-UHFFFAOYSA-N 388.316 1.975 0 50 GDAA biogenic Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4c[nH]nc4-n4cnnn4)C3)nc12 77485718 IGIHVPJQZRPTEX-LBPRGKRZSA-N 377.412 1.590 0 50 GDAA CN1CCCc2ccc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)cc21 126086826 PTUYFWOTMDBLQZ-SFHVURJKSA-N 376.482 1.565 0 50 GDAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CN1CCCS1(=O)=O 253417985 CALCAOLNLZDNKM-UMVBOHGHSA-N 389.518 1.172 0 50 GDAA O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC(N2CCc3ccccc3C2)CC1 72425015 IJAQAAYCZWIHCM-INIZCTEOSA-N 376.522 1.861 0 50 GDAA CC(=O)N[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 363107487 IERMCPXXIWUSQD-INIZCTEOSA-N 393.434 1.944 0 50 GDAA CNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71419549 GQNJXNIOMOSNHE-LJQANCHMSA-N 386.540 1.268 0 50 GDAA CCCCCCN1CC2(CCN(C(=O)CN3CCC(O)CC3)CC2)OC1=O 77472147 RIIPGJFWTSFACW-UHFFFAOYSA-N 381.517 1.837 0 50 GDAA CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)n1 128217270 LQHUSPSKLNHNTL-UHFFFAOYSA-N 379.829 1.632 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCO[C@H](CC(=O)O)C1 237745815 UCMYMKWQUABOLJ-MRXNPFEDSA-N 375.400 1.873 0 50 GDAA Cn1c(O)nc(=O)c2nc(C[C@H](O)c3ccccc3Br)c(O)nc21 241644697 PSTNUZRVCUIBTQ-JTQLQIEISA-N 393.197 1.173 0 50 GDAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N(C)Cc3cnn(C)c3C)c2)N=C1C 223538627 ZIGYJKDDXSZBCQ-HXUWFJFHSA-N 383.452 1.864 0 50 GDAA COc1cccn(CC(=O)N2CCC(CCC(=O)N3CCCC3)CC2)c1=O 95507190 FTAHIMBDMJHBPV-UHFFFAOYSA-N 375.469 1.498 0 50 GDAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)CN1C(=O)CNC1=O 92022681 GWUSSUYGQRTUDH-CYBMUJFWSA-N 388.472 1.285 0 50 GDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccs2)n[nH]1 334161428 ZJWYOKDJMJVPTE-NSHDSACASA-N 382.405 1.613 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)NCCS(=O)(=O)N1CCCC1 97819687 GZCZMHNHGIKSCS-UHFFFAOYSA-N 375.454 1.002 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C[C@H]2CCC(=O)O)CC1 95360963 MLTACXUIKVIZHQ-HIFRSBDPSA-N 397.907 1.016 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ncccc4O)C3)CCC2=O)cn1 91965874 QFQQPYHSDVDPRZ-OAQYLSRUSA-N 395.463 1.931 0 50 GDAA CCC[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1NS(C)(=O)=O 95498223 UYDGUZBWBIUUKZ-UKRRQHHQSA-N 380.470 1.314 0 50 GDAA Cc1n[nH]c(C)c1[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C(=O)O 95516629 ZXAWSQFSXLIFQF-INIZCTEOSA-N 376.457 1.697 0 50 GDAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 267517417 FACNWJWTEWZHOO-NSHDSACASA-N 384.845 1.825 0 50 GDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2c[nH]c(=O)cc2O)C3)cc1 95362502 ZVLPXLNVXOLQOP-JKSUJKDBSA-N 383.448 1.826 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](c3ccc(O)c(OC)c3)NN(Cc3ccccc3)[C@H]2C1=O 239297245 DUIDWOYQQPTERY-CEXWTWQISA-N 381.432 1.836 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)NC3(C(=O)O)CCOCC3)CC2)c1 244811513 SEGFBNLJAGPVFB-UHFFFAOYSA-N 375.469 1.257 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)CN1 1940193487 AHMZNSOYBGNSQH-CQSZACIVSA-N 393.447 1.187 0 50 GDAA O=C(Nc1ccccc1CCc1ccccn1)N[C@H]1CS(=O)(=O)C[C@@H]1O 1565527327 FLZUGHHMGYGOFG-IRXDYDNUSA-N 375.450 1.146 0 50 GDAA COc1cc(OC)c2cc(C(=O)N3CCCN([C@@H](C)CO)CC3)[nH]c2c1OC 170605644 SNTXVROZQFFURX-ZDUSSCGKSA-N 391.468 1.722 0 50 GDAA COc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1OCc1c(C)noc1C 408513459 PHTDGAQBTHUSIK-QGZVFWFLSA-N 390.392 1.805 0 50 GDAA CCNC(=O)CN1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 269096315 RABTZXCGWZRDIQ-UHFFFAOYSA-N 380.496 1.676 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2c(C)noc2C)cc1OC 1529185132 KMTMWHBYQCIARF-UYAOXDASSA-N 390.436 1.812 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529195660 MVHDTMRJMLVBNT-UYAOXDASSA-N 395.463 1.635 0 50 GDAA O=C(N[C@@H]1CCCCNC1=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704329639 XHDGKFUSTVCBAL-OAHLLOKOSA-N 384.436 1.577 0 50 GDAA CC1(C)CNC(=O)C2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)NC1 1772819196 GSXQYHREWNVZPY-UHFFFAOYSA-N 375.498 1.045 0 50 GDAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(Cc3nccs3)CC2)[C@H]1O 1772707649 WGSPIYJEIALCSF-DLBZAZTESA-N 383.514 1.170 0 50 GDAA CN(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 12448552 YXYYWVSOTZINOW-FQEVSTJZSA-N 380.492 1.863 0 50 GDAA Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCOCC2)c2ccccc2)cc1 19791224 FEWYKEJFXYNDKY-LJQANCHMSA-N 390.505 1.883 0 50 GDAA C[C@@H]1CNCCN1C(=O)Cn1nc(CC2CC2)nc1[C@H](N)Cc1ccccc1 1857691959 IECOKDFURGFXHX-CRAIPNDOSA-N 382.512 1.293 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3nc(C4CC4)no3)CC2=O)s1 1857723396 DUMOHWMHPYVJJR-JTQLQIEISA-N 392.441 1.004 0 50 GDAA CC(C)CC(=O)NC[C@H]1[C@H]2CN(c3nnnn3-c3ccccc3)C[C@]23CC[C@H]1O3 1857737644 WQASEWNAMVEFOT-XKGFGPFHSA-N 396.495 1.808 0 50 GDAA Cc1nc(C)c(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCc3ccon3)C2)o1 1875243478 IOWMPMFXCTUUGE-KXBFYZLASA-N 387.440 1.323 0 50 GDAA CCCn1c(N2CCN(CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 5147881 KENOKPYUFMVGEI-UHFFFAOYSA-N 396.495 1.198 0 50 GDAA O=C1COc2ccc(S(=O)(=O)N3C[C@H]4CC[C@@H](C3)N(CC3CC3)C4)cc2N1 248005827 SYDCSKCYHXQIRP-GJZGRUSLSA-N 391.493 1.512 0 50 GDAA O=C(COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12)NC12CC3CC(CC(C3)C1)C2 800250782 LUUUDSRBMVFVOV-NFESSFGHSA-N 381.472 1.942 0 50 GDAA Cc1cc(C)c2c(OCC(=O)N3CCC(Oc4cnccn4)CC3)nn(C)c2n1 1875263089 AEDHEXKYFDOQNF-UHFFFAOYSA-N 396.451 1.824 0 50 GDAA Cc1cccc2c(=O)n(CCC(=O)N3CCC(=O)Nc4ccncc43)cnc12 1775961416 YZNPUTVODIWZDU-UHFFFAOYSA-N 377.404 1.865 0 50 GDAA O=C(CCCC1CC1)N[C@H]1CC2(CN(C(=O)C[C@H]3CCNC3=O)C2)n2ccnc21 2332237832 OACJUTMZJXBCDB-CVEARBPZSA-N 399.495 1.088 0 50 GDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 4999135 MJLFODVAEXNWKQ-CYBMUJFWSA-N 386.539 1.960 0 50 GDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1ccc(OC)cc1OC 10339394 OSJRBBKDYHLFAH-DLBZAZTESA-N 389.452 1.896 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccn1 12448538 BAGHUKRQPJUHNX-LJQANCHMSA-N 396.491 1.530 0 50 GDAA CCOC(=O)CNc1ccccc1C(=O)N1CCN(C[C@H]2CCCO2)CC1 55326985 VBHKJAZNXUUNHK-MRXNPFEDSA-N 375.469 1.598 0 50 GDAA O=C(Cc1noc2ccccc12)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67613799 DJQSVJLMBIKMRG-UHFFFAOYSA-N 389.419 1.695 0 50 GDAA Cc1cccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)n1 23360977 CHGAIZMOOWIQFY-NRFANRHFSA-N 385.508 1.830 0 50 GDAA CCS(=O)(=O)c1ncc(CN(C)CCOc2ccccc2)n1CCOC 20599028 RLDZJPZUFGOXHD-UHFFFAOYSA-N 381.498 1.834 0 50 GDAA Cc1cc(-c2cnn(CC(=O)Nc3cc(C4CC4)nn3C)c2)nc(N(C)C)n1 63883401 QKJWGKWOAYCMDQ-UHFFFAOYSA-N 380.456 1.964 0 50 GDAA CN(C)CCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 172202279 SPBNYOAOPQGWJW-FQEVSTJZSA-N 386.540 1.681 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)N[C@H](CCn1cncn1)c1ccccc1 72420304 HVIBMSMKTKXIAB-HXUWFJFHSA-N 393.495 1.848 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 77134150 YPSCFYMMQCFMAC-UHFFFAOYSA-N 396.495 1.199 0 50 GDAA O=C([C@H]1CC2(CCNCC2)CN1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 72165297 NSRCFGXQCBOAPJ-GOSISDBHSA-N 383.471 1.644 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)OC1=O 77285856 WYWACHHQIKJRNF-HNNXBMFYSA-N 380.489 1.637 0 50 GDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 366330205 NBGADVNRVSPCBN-DGCLKSJQSA-N 393.465 1.020 0 50 GDAA COCCCN(CCOC)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C 366615303 FOATZVZGGWWYRD-APWZRJJASA-N 392.500 1.374 0 50 GDAA CCn1cnc2c(N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)ncnc21 377142441 QNIMFKUPMSCNKX-ZIAGYGMSSA-N 378.436 1.987 0 50 GDAA Cc1cc(C)c(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)cn1 72462934 IULRJKIFWLUTPE-AWEZNQCLSA-N 375.498 1.971 0 50 GDAA COC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1C 371898122 AIJXQDFNWGYXCS-HNNXBMFYSA-N 399.451 1.438 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)CC1 283273201 DHSOELFQAQVSMP-MRXNPFEDSA-N 378.432 1.589 0 50 GDAA Cc1cc(C)cc(-n2ncc3c(=O)n(C[C@H](O)COC4CCOCC4)cnc32)c1 127320253 XEBSWKCYXDOFSR-KRWDZBQOSA-N 398.463 1.756 0 50 GDAA Cc1ccccc1[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(N)=O)NC(N)=O 375872546 FUAGFYKZCKQWRP-HKUYNNGSSA-N 380.448 1.706 0 50 GDAA COc1cc(CC2CN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2)cc(OC)c1 378061575 YYJDGIZCZZXMTQ-HXUWFJFHSA-N 397.475 1.984 0 50 GDAA Cc1nn(CC(=O)N[C@H](C)c2nncn2C(C)C)c(=O)n1Cc1ccccc1 77353443 GIPKTMMYUFKULV-CQSZACIVSA-N 383.456 1.451 0 50 GDAA O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cc2n(n1)CCCNC2 426550407 JUYDIRNMTCWRPW-UHFFFAOYSA-N 382.468 1.503 0 50 GDAA CS(=O)(=O)NCC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 426712600 HJJQRNJUZVJQOV-IBGZPJMESA-N 385.574 1.821 0 50 GDAA CCOc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 91505352 NSINREJDQCLSGU-QZTJIDSGSA-N 375.513 1.403 0 50 GDAA Cc1nc2cc(OCc3nc(C(=O)N(CCO)CCO)co3)ccc2s1 92066899 DDLRNEVIVSJWLX-UHFFFAOYSA-N 377.422 1.599 0 50 GDAA COC(=O)c1sc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)nc1C 230068813 PSYMLJBEWIEZNA-JBLDHEPKSA-N 398.510 1.902 0 50 GDAA CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95499948 OLWGBMNKUKOUHH-FUHWJXTLSA-N 381.480 1.880 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1N1CCOCC1 92020860 INBAXAGCERBPIH-PBHICJAKSA-N 390.484 1.316 0 50 GDAA NC(=O)C1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccc(F)c(F)c2)C3)CC1 91289572 WXXPNWCQLTXWCR-UHFFFAOYSA-N 391.418 1.571 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)cc1 296205035 WFORJKYSUOHWOV-QGZVFWFLSA-N 376.482 1.837 0 50 GDAA COCCn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1[C@H]1C[C@@H](N)C1 244872961 WHNBPFULBMNZTC-WOVMCDHWSA-N 386.500 1.008 0 50 GDAA O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 252486667 HOFNJGSSRNGGBG-SJLPKXTDSA-N 375.856 1.735 0 50 GDAA O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1ccc2nnnn2c1 828172303 ZLGQNFUACNQTNT-MRXNPFEDSA-N 392.463 1.701 0 50 GDAA O=C(NC[C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cnccn2)CC1 584901630 FZBYNLOTUDQGJP-QGZVFWFLSA-N 384.484 1.813 0 50 GDAA Nc1nnc(SCC(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)s1 952980875 IWALYEXBAQMSMI-SNVBAGLBSA-N 397.551 1.943 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(Cc2c(C)nn(C)c2C)C2CC2)cs1 952964958 AULITSBWTVISHP-UHFFFAOYSA-N 382.511 1.811 0 50 GDAA COc1ccnc(N2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)c1 171564713 UQQNZYXPBKZAFX-UHFFFAOYSA-N 382.449 1.966 0 50 GDAA O=C(CN1C(=O)COc2ccccc21)NCc1ccccc1CN1CC[C@H](O)C1 272780204 IOEVHYZUGZUEAA-SFHVURJKSA-N 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FJSMSQDCWODNBJ-UHFFFAOYSA-N 395.423 1.311 0 50 GDAA COc1nc2c(cc1C(=O)N1CC[C@H]3[C@@H]1CC(=O)N3[C@H]1CC[C@H](O)CC1)CCC2 1857686056 GFGZVWGFFTYGJM-LNMJFAINSA-N 399.491 1.698 0 50 GDAA COC1(C(=O)NC[C@@H]2CCCO2)CCN(C(=O)C2Cc3ccccc3C2)CC1 1857702081 ZBZBWVZZUIMSFG-IBGZPJMESA-N 386.492 1.704 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccccc2)C1)C1CCOCC1 1857702462 BWWHJQSSTOGPPH-REWPJTCUSA-N 399.535 1.885 0 50 GDAA O=C(NC1CC1)c1ccnc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1 1857724305 UGFINMFQXZMMDZ-RMEPHLEKSA-N 379.460 1.547 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857736178 YTERPEZGKUWGQW-NPDDRXJXSA-N 383.492 1.565 0 50 GDAA CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 240333314 FCYKSPYPYUXKPF-ZWKOTPCHSA-N 389.471 1.591 0 50 GDAA NC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3ccccc3F)CC2)o1 137569871 AJMSISATGNFUEF-UHFFFAOYSA-N 381.429 1.067 0 50 GDAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 818321586 YCHFWRXVLLNPPE-QAPCUYQASA-N 397.435 1.286 0 50 GDAA CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 1875390625 JHFCRMUTZUCZDA-UHFFFAOYSA-N 394.474 1.123 0 50 GDAA Cc1cc(C)c(C(=O)NCC23CC(C(=O)N(C)C)(C2)C2(CCNCC2)O3)o1 1875393824 UNGGQRVAPIQRFB-UHFFFAOYSA-N 375.469 1.386 0 50 GDAA C[C@@H](NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)C2CC2)CC1)c1ccccc1 1875308078 RXZIXUBVVSKQBX-HUUCEWRRSA-N 379.526 1.799 0 50 GDAA Cn1cc([C@@H]2CN(CC3CCOCC3)C[C@H]2C(=O)N2CCOCC2(C)C)cn1 888103167 MASGUTXXZUCHQQ-RBUKOAKNSA-N 390.528 1.500 0 50 GDAA COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 4754357 FPNUUVQJRAVZHP-UHFFFAOYSA-N 378.450 1.253 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(O)n1 2100473656 RRHDJEMZUZAZAS-WHSLLNHNSA-N 387.480 1.996 0 50 GDAA Cn1nnc([C@@H]2CN(Cc3cc4ccccc4nc3N3CCOCC3)CCO2)n1 2100537298 MBQWFDXBHCAVHB-SFHVURJKSA-N 395.467 1.168 0 50 GDAA Cc1c(C(=O)N2C[C@H](CN)Cc3cc(F)ccc32)cnn1-c1ccc(O)nn1 2325859163 PYNKSEPGOYMHPH-LBPRGKRZSA-N 382.399 1.593 0 50 GDAA CCc1nnc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)s1 225530918 OLXSNXWNYOIUSE-UHFFFAOYSA-N 383.423 1.898 0 50 GDAA Cc1ccc(N(CC(=O)NC[C@@H](C)Oc2cccnc2)S(C)(=O)=O)cc1 55227495 HOHMLSLZCOUESL-OAHLLOKOSA-N 377.466 1.740 0 50 GDAA O=C(NCCc1nnc2n1CCN(Cc1cccnc1)CC2)C1CCCCC1 20783710 OAQCWOIZNSHCBU-UHFFFAOYSA-N 382.512 1.970 0 50 GDAA O=C(CSc1ncccn1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67842718 DKELIPBOQALMPQ-UHFFFAOYSA-N 396.476 1.849 0 50 GDAA CN1[C@H](C(=O)O)C[C@H](C(=O)NCC2(CO)CCCC2)[C@@H]1c1ccccc1F 67803611 ZDOBNJVTNJXHRF-XIRDDKMYSA-N 378.444 1.941 0 50 GDAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cn(C2CCCCC2)nn1 23128502 SKOKSQAQJSJPNU-LJQANCHMSA-N 384.484 1.982 0 50 GDAA C[C@H]1CNC(=O)CCN1Cc1ccc(C(=O)Nc2ccnc3ncnn23)cc1 65436272 PSDKPHPNMJUIMN-ZDUSSCGKSA-N 379.424 1.087 0 50 GDAA CC(CO)(CO)Nc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 67983021 ILCKLAWMSQKXPJ-OAHLLOKOSA-N 387.436 1.197 0 50 GDAA O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCCN(c2ccccc2)C1 363540428 WLNRIRVAZZCRBM-INIZCTEOSA-N 381.432 1.930 0 50 GDAA O=C(O)COc1ccccc1CN1CCN(CC(=O)N2CCCCC2)CC1 72149476 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CN1CCCNC(=O)C12CCN(C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C)CC2 426415692 XFNGTMLIQZIRKW-INIZCTEOSA-N 390.532 1.294 0 50 GDAA Cc1nccn1[C@@H](C)CC(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1 91745413 RVPKJIZSNBNZHW-INIZCTEOSA-N 376.501 1.756 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@]1(C)CCCNC1)CC2 91593374 JNHYLDZGTBQLFI-FQEVSTJZSA-N 386.500 1.029 0 50 GDAA CC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)N1CCOCC1 91460594 ATRSASWTUWCBQL-UHFFFAOYSA-N 389.544 1.616 0 50 GDAA Cn1cccc1CNC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 253535949 WFSGONHZPGVURI-GOSISDBHSA-N 393.447 1.880 0 50 GDAA Cc1cccc(OCC(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c1 253378423 FDKGFGGQLCEWCK-WKILWMFISA-N 380.452 1.810 0 50 GDAA Cc1nc(CCN(C)C(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)no1 299789578 ZRUSDOJHCSCGQE-UHFFFAOYSA-N 382.446 1.303 0 50 GDAA Cc1cc(C(N)=O)c(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)nc1C 584889126 LQMMSFKGZQQMBS-INIZCTEOSA-N 380.448 1.802 0 50 GDAA CC(C)=CCN1CCOC2(CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)C1 952973278 YYRHJACTUYISLL-GOSISDBHSA-N 387.528 1.685 0 50 GDAA Cc1cccn2c(CC(=O)N3C[C@@H]4CC[C@H]3CN(S(C)(=O)=O)C4)cnc12 1565526912 FJJPCCMMHZUEBX-CABCVRRESA-N 376.482 1.068 0 50 GDAA CCc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCc4nccn4C3)C2)ncn1 275746559 YKBFNUWDYOBFQT-WBVHZDCISA-N 383.500 1.766 0 50 GDAA COC(=O)c1cn(C2CN(C(=O)c3ccc(NC(=O)NC(C)C)cc3)C2)nn1 170593240 KVQPTEAESAKAPN-UHFFFAOYSA-N 386.412 1.292 0 50 GDAA COc1cccc(C[C@@H](C(=O)NCC(=O)c2ccccc2)n2nnnc2C)c1 170614338 UTWZNGLXCPOEDK-SFHVURJKSA-N 379.420 1.773 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)NS(=O)(=O)[C@H]3CCOC3)C2)cc1 408386067 NNHYBGXVRAWKJO-HOTGVXAUSA-N 380.466 1.082 0 50 GDAA COc1cccc([C@H]2CN(C(=O)Cc3nonc3C)C[C@@H]2C(=O)O)c1OC 213314056 UWQSBFROAVTREK-OLZOCXBDSA-N 375.381 1.265 0 50 GDAA Cc1cc(C[C@@H]2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C[C@@H]2O)on1 1529167347 HEBDFGOAZOFMMI-CJNGLKHVSA-N 379.844 1.536 0 50 GDAA Cc1[nH]nc2c1CN(C(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1)CC2 1529101337 DQPNGVMXLOFOQB-UXHICEINSA-N 382.464 1.980 0 50 GDAA NCC[C@H]1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCO1 1704336459 JJJCMCVIYGODOH-INIZCTEOSA-N 386.452 1.368 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775979736 LYRDBTUGTZCGTN-HXUWFJFHSA-N 379.468 1.903 0 50 GDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CC(N2CCCCC2)C1 1772805047 WTPJALIWLRUNRQ-OAHLLOKOSA-N 390.553 1.781 0 50 GDAA COCCCN1C(=O)C[C@@](CC(=O)NCC(C)(C)CO)(c2ccccc2)C1=O 12098247 INCMJTVLZIHTGP-NRFANRHFSA-N 390.480 1.245 0 50 GDAA CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(=O)n(C)n(C)c(=O)c3c2)cc1 12427753 GFFWEPGDOPXVKU-UHFFFAOYSA-N 380.404 1.191 0 50 GDAA CN(CCc1ccccn1)[C@@H]1CCN(CC(C)(C)CN2CCOCC2)C[C@H]1O 15065839 VDQKNTFPTGYUCB-NHCUHLMSSA-N 390.572 1.350 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1 15070708 IBDNZOSGFUPBIP-QGZVFWFLSA-N 387.488 1.116 0 50 GDAA CC(C)c1cccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 169772465 PEFOPUQXDWBKHY-UHFFFAOYSA-N 393.465 1.248 0 50 GDAA Cc1sc2ccccc2c1-c1nc(CC(N)=O)nn1[C@H]1CCS(=O)(=O)C1 1857667888 ZHWKMJOHGMQZKW-NSHDSACASA-N 390.490 1.856 0 50 GDAA Cc1cc(C)n2ncc(-c3nccn3CCCN3CCC[C@H](C(N)=O)C3)c2n1 1857688191 WVCPUJMQROZZOY-INIZCTEOSA-N 381.484 1.797 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCC2CCOCC2)C[C@H]1NC(=O)c1cn[nH]c1 1857691066 YJJCMRSFTMZFLZ-CGTJXYLNSA-N 392.500 1.646 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)CCc3ccsc3)[C@H]3CC[C@]2(C1)O3 1857716761 SACNDMZBGAKKAF-BVIKNXMNSA-N 398.550 1.626 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)cc3)[C@H]3CC[C@]2(C1)O3 1857717907 FBHXXYLYEFABLM-WFXMFSGNSA-N 377.872 1.295 0 50 GDAA CCOc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cccnc4)[C@H]4CC[C@]3(C2)O4)n1 1857721055 XLMAXOWPHYUBLQ-BIZBXSGISA-N 395.463 1.684 0 50 GDAA Cc1cc(F)cc(C(=O)NC[C@H]2[C@H]3CN(CCC(=O)O)C[C@]34CC[C@H]2O4)c1 1857723465 HGYVSDITVFDVSB-TVKQPGBESA-N 376.428 1.818 0 50 GDAA Cn1ccnc1CN1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857727106 KWIUVQKSLCDJNK-FQEVSTJZSA-N 384.484 1.232 0 50 GDAA CC(C)(C)c1nc2c(c(=NCCO)[nH]1)CC[C@@]21CCCN(Cc2ncc[nH]2)C1 1875248317 KOUPGGUVAROIBN-OAQYLSRUSA-N 384.528 1.803 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 238070932 SGJCXGUDNGRQOR-LBPRGKRZSA-N 380.198 1.235 0 50 GDAA CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnc(N2CCN(C)CC2)nc1 809720222 AWAXHKDNIVIHDB-GOSISDBHSA-N 390.532 1.718 0 50 GDAA N[C@H]1CC[C@H](OCC(=O)N2CCN(Cc3ccc(F)cc3F)C(=O)C2)CC1 1875301211 DYEUHTCUXLBJAT-WKILWMFISA-N 381.423 1.422 0 50 GDAA CCn1nc2c(c1C(=O)N1CCN(C3CCOCC3)CC1)C[C@H](C)O[C@@H]2C 1875314052 FPVGDBMBQTZAHZ-LSDHHAIUSA-N 376.501 1.862 0 50 GDAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cc2ccc(C(F)(F)F)nc2)cn1 888092944 PKKSKYLRLLBBEK-ZBSNKRKSSA-N 386.399 1.709 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cc(C)ccn2)cc1OC 2100536853 BMBGMDLXZVWBFV-MOPGFXCFSA-N 385.420 1.280 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)NCCN1CCOCC1 19812810 WUSJROLXNFAHLS-UHFFFAOYSA-N 379.276 1.068 0 50 GDAA CN(C)[C@H](C(=O)N1CC2(C[C@H](NC(=O)C3CC(C)(C)C3)c3nccn32)C1)C1CC1 2332237965 SGZZNVIBHIIMPK-IRXDYDNUSA-N 399.539 1.758 0 50 GDAA O=C(NCCCn1ccnc1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356140987 UCESABJWJLHBST-KUDFPVQQSA-N 379.464 1.721 0 50 GDAA COc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2OC)CC1 20149398 HFAJAHIWRDFSRK-UHFFFAOYSA-N 397.475 1.892 0 50 GDAA Cc1cccc(CN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2=O)c1 20865377 KWOGHKZVHKTLMW-UHFFFAOYSA-N 376.416 1.488 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1C 20051524 QQIYRLPSISMAJW-IBGZPJMESA-N 386.496 1.722 0 50 GDAA CC(C)O[C@H]1CN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2)C3)C[C@@H]1O 65404923 OFLFQTKWNSIPLJ-PMACEKPBSA-N 384.480 1.509 0 50 GDAA Cc1ccc(S(=O)(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)cc1 65363460 IMTXLZQCZFEWKV-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 65362861 RGZLXPOMWGFENS-MRXNPFEDSA-N 376.482 1.469 0 50 GDAA C[C@H](C1CCN(c2nc(CCN)nc3ccccc23)CC1)N1CCN(C)CC1 65431866 QQCKROGSVAKMHG-QGZVFWFLSA-N 382.556 1.983 0 50 GDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCC(Cc2ccccc2)CC1 61719550 CMKBBLYEDZMKMZ-UHFFFAOYSA-N 396.491 1.561 0 50 GDAA O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1cccc(C(=O)N2CCCC2)n1 120689895 OCIGOEYYUZMKAK-UHFFFAOYSA-N 377.408 1.674 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCN1CCc2ccccc2C1 11843345 PJJIEPMNBQUISO-FQEVSTJZSA-N 386.540 1.350 0 50 GDAA O=C(c1cc(C2CCCCC2)n[nH]1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 123846885 WRCMHIZSAQWYNC-OAHLLOKOSA-N 380.514 1.402 0 50 GDAA Cc1cc(C)c2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2n1 216051567 XLPRPEXHKXALKK-UHFFFAOYSA-N 375.494 1.654 0 50 GDAA CS(=O)(=O)c1nc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccn12 363381324 CDUWAKLDZOPYMB-CYBMUJFWSA-N 389.437 1.366 0 50 GDAA CC[C@H](NC(=O)CCc1cc2n(n1)CCNC2)c1ccc(S(C)(=O)=O)cc1 72477149 ZZPGZKJTNIBEBE-SFHVURJKSA-N 390.509 1.590 0 50 GDAA C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCO1 262811576 UEYGGOGWWPHSIJ-DZGCQCFKSA-N 396.465 1.033 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cccc(C(=O)O)n2)CC1 262965795 AOKMFQRSNJYZSF-UHFFFAOYSA-N 380.426 1.286 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCn2nc([C@H](O)CO)cc2C1 221224739 FIPSDDHLYKGZEC-HXUWFJFHSA-N 385.443 1.866 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 95506027 XGVDRQPBIJNYRS-OAHLLOKOSA-N 380.452 1.514 0 50 GDAA O=C(C1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 230277942 YREDXLAFJRQFFT-WBVHZDCISA-N 379.464 1.501 0 50 GDAA biogenic COCCOC(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91603031 CLBGUMRRWGGJPJ-UHFFFAOYSA-N 378.473 1.761 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc4ncccc4c3)cc2C1 91649936 DCASWOKFPNYNRK-UHFFFAOYSA-N 378.436 1.859 0 50 GDAA Nc1ncc(CN2CCC3(CC2)CCN(C(=O)c2cc[nH]c2)C[C@@H]3CO)cn1 97813673 AUKXYVAAERPMCP-QGZVFWFLSA-N 384.484 1.124 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)CSc1nc(C)n[nH]1)CC2 92028153 VTAJKCWXIJVHPU-UHFFFAOYSA-N 395.529 1.473 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@H]2CCCO)CC1 91706347 SYSKRUQMJBRZMK-QUCCMNQESA-N 377.504 1.605 0 50 GDAA CC1(C)CN(Cc2nc(C(F)(F)F)no2)CC[C@]1(O)CN1CCOCC1 91655884 HEWNQRWTDGZNON-HNNXBMFYSA-N 378.395 1.384 0 50 GDAA O=C(NCc1cc(Cl)cc2c1OCC2)N1CCC[C@@H](n2cc(CO)nn2)C1 298139221 AKCXISDCVGRGNA-MRXNPFEDSA-N 391.859 1.905 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NC2CCC2)CC[C@H]1O)c1cc(=O)c2ccccc2o1 1940196687 ZRKKESQNJQTGLU-APHBMKBZSA-N 384.432 1.721 0 50 GDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CCN2CCN(C)CC2)n1 299756804 IYQPHOFXOKUWFJ-ZDUSSCGKSA-N 375.439 1.600 0 50 GDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 1565513072 ZYFKDKAOCBMKPM-ZBFHGGJFSA-N 382.530 1.598 0 50 GDAA O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc2c(c1)CCO2 170626662 DPLVWRIVRHUCAE-UHFFFAOYSA-N 394.474 1.863 0 50 GDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1c(C)nn(C)c1N1CCOCC1 190423823 LALNKSRAUBVXQN-ROUUACIJSA-N 388.516 1.791 0 50 GDAA COCc1nnc(NC(=O)CN(C)C[C@H]2Cc3ccccc3CN2C)s1 1529192220 SEIKNSWPNJZDHE-OAHLLOKOSA-N 375.498 1.612 0 50 GDAA CCCN1CC2(CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OCCC1=O 1704325271 KYNHIGJNPZSCQD-GOSISDBHSA-N 388.464 1.847 0 50 GDAA O=C(CN1CCOC1=O)N1CCCN(Cc2ccccc2-n2cccn2)CC1 1772701076 IGWYKALJYRGHOY-UHFFFAOYSA-N 383.452 1.359 0 50 GDAA COc1cccc(CN2CCC[C@@H](NC(=O)Cn3nc(Cl)ccc3=O)C2)c1 12052729 GPDFENGMICSJCE-OAHLLOKOSA-N 390.871 1.686 0 50 GDAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN([C@H](C)CO)CC2 14742665 UKIZZWWGSUUQPJ-QGZVFWFLSA-N 389.496 1.355 0 50 GDAA COCC(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 14966806 MLZQMROWQJUNMY-HNNXBMFYSA-N 375.446 1.823 0 50 GDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2F)nn1 15064541 XPBCYNNSHKHPMM-AWEZNQCLSA-N 376.388 1.260 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1 16275949 AHUBIFDUDOXOSQ-UHFFFAOYSA-N 387.505 1.797 0 50 GDAA COc1cc(-c2nccn2[C@@H]2CCOC2)ccc1OCC(=O)N1CCOCC1 1857674372 FPFWSEJXCKWONB-MRXNPFEDSA-N 387.436 1.758 0 50 GDAA Cc1nc(N2CCN(C)CC2)c2c(n1)C1(CC2)CCN(C(=O)c2cn[nH]c2)CC1 1857695116 USDNOIHLNLIAKB-UHFFFAOYSA-N 395.511 1.380 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc[nH]c3C)CC(=O)N2[C@H]1c1ccccc1 1857721776 FWVDUKNEHOFUDB-IEZWGBDMSA-N 381.432 1.910 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCc2cnccn2)cc1OC 1857734728 OPEVDZNINNSASQ-ICSRJNTNSA-N 387.436 1.387 0 50 GDAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857741047 ZVTGSCIWSBUIRI-CQSZACIVSA-N 388.493 1.622 0 50 GDAA N[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 237919282 RSWSUMTWGYTAHL-LBPRGKRZSA-N 375.288 1.563 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1ccc3c(c1)OCO3)C2 247513083 IXBOBTBSJYKYGF-CABCVRRESA-N 380.466 1.230 0 50 GDAA C[C@@H]1OCC[C@@]12CN(C(=O)NCc1nccn1CC(F)(F)F)C[C@@H](C)O2 363948282 DIEPPMZKWUPNDT-TYNCELHUSA-N 376.379 1.923 0 50 GDAA C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)[C@@H](O)c1ccccc1)C2=O 809204776 AQGNCKPGQPVNRV-INHBRZDYSA-N 387.480 1.971 0 50 GDAA CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2CC(=O)Nc3ccccc32)C1 1875257542 FXNFWTSQHYQOLG-BEFAXECRSA-N 392.459 1.532 0 50 GDAA C[C@]1(CO)CCN1C(=O)Cc1c(Cl)cccc1C(=O)N1CC[C@]1(C)CO 1875396668 QKXJKJGOLRKYHA-RTBURBONSA-N 380.872 1.463 0 50 GDAA CCOc1cccnc1C(=O)N1CC2(CN(C)C[C@@H]2c2ccnc(N(C)C)n2)C1 1875395891 OTOHNTGASZSTNE-OAHLLOKOSA-N 396.495 1.508 0 50 GDAA CO[C@H](CS(=O)(=O)Nc1cc(O)cc(Br)c1)[C@H]1CCOC1 888102227 PFXUURYGAVCJLM-TVQRCGJNSA-N 380.260 1.948 0 50 GDAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 1073317732 MMMBPSROSISMCS-HOCLYGCPSA-N 382.464 1.553 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@@H]1NC(=O)c1cc[nH]n1 2100537223 JMXDDSFIKBTGGS-QRTARXTBSA-N 378.473 1.399 0 50 GDAA CS(=O)(=O)c1ccc(C2(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)CCCCC2)cc1 2100539666 SPTIMVTZCYHXTR-RHSMWYFYSA-N 391.489 1.923 0 50 GDAA COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC2(CC(=O)O)CC2)cn1 2325755303 COKHAMSMMJPWJQ-UHFFFAOYSA-N 385.829 1.820 0 50 GDAA O=C(Cn1cnc2ccccc21)N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1 2325781805 PCKJTUWVWPKJTI-ABAIWWIYSA-N 387.383 1.614 0 50 GDAA CC(C)c1c(C(=O)N2CC(=O)N3CCOC[C@H]3C2)nnn1Cc1ccccc1 2325806447 VMJSPFNJIWUMBW-MRXNPFEDSA-N 383.452 1.133 0 50 GDAA Cn1cc(N2C[C@H](C(=O)NCc3nc(-c4ccncc4)cs3)CCC2=O)cn1 931612512 XXSJLUQXUOTVQW-CQSZACIVSA-N 396.476 1.998 0 50 GDAA Cn1c(=O)c2c(nc(NC[C@H]3CCCO3)n2Cc2ccc(F)cc2)n(C)c1=O 789702 VWFBEGVPUAKDJS-CQSZACIVSA-N 387.415 1.212 0 50 GDAA biogenic Cc1ccc(Cn2c(NC[C@@H]3CCCO3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4818322 FBBKAXDWZLYINF-HNNXBMFYSA-N 383.452 1.381 0 50 GDAA COc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 20598262 UKSBKHYAPKNCDM-UHFFFAOYSA-N 392.463 1.670 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 65364853 VVYDEKOIKBKZNA-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 11819267 BQAKGFNJAPKTTA-KRWDZBQOSA-N 387.509 1.698 0 50 GDAA COc1cc(CN(C)Cc2ccno2)ccc1OC[C@H](O)CN1CCOCC1 11997678 QAMONOWIYLDXMA-QGZVFWFLSA-N 391.468 1.387 0 50 GDAA O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCN(CC2CCOCC2)CC1 329583412 LRKGNOCDWJSAGB-UXHICEINSA-N 391.556 1.986 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CCO1 328592985 USXHSNSOGUVNHG-AORQRIRUSA-N 398.209 1.546 0 50 GDAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cc(Cl)cnc2N)C1 328624167 JTMQGYKVUHZRFI-WDEREUQCSA-N 399.860 1.728 0 50 GDAA CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 328769968 ITIXPJTYMFQFOY-VXGBXAGGSA-N 381.502 1.554 0 50 GDAA Cc1noc(C)c1CNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 215454240 ACFVEVQSADIEIO-AWEZNQCLSA-N 379.438 1.289 0 50 GDAA O=C(C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1)c1cccnc1 71315742 UKOLLVQIYYPZNB-SFHVURJKSA-N 398.507 1.590 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc21 176743082 KALJEGJEUDWIHK-HNNXBMFYSA-N 375.454 1.391 0 50 GDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCS(=O)(=O)c1ccccc1)CC2 91526321 KAAJEGSFXJWSAM-SJORKVTESA-N 381.494 1.629 0 50 GDAA NC(=O)c1cccnc1-c1ccc(C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)cc1 426443212 IVYVYMFFEBCADN-KKSFZXQISA-N 380.448 1.034 0 50 GDAA COc1cccc(-n2c(SCC(=O)N(C)C)nnc2C2CCNCC2)c1 426737557 UTDIGXFARMYDRU-UHFFFAOYSA-N 375.498 1.923 0 50 GDAA NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CCSCC3)CC2)c1 95497017 UZLOEORVPVJYFY-UHFFFAOYSA-N 384.527 1.379 0 50 GDAA CN(C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1ccccc1)CC2 95361912 OAGXJFHSLHOSCI-HXUWFJFHSA-N 387.524 1.903 0 50 GDAA CN1CCN(Cc2nnc(C3CCN(C(=O)CC(C)(C)C)CC3)n2C)CC1 96132041 IZOFYRXRNBSSSF-UHFFFAOYSA-N 376.549 1.705 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239173935 OYNBLHHNRRTGQJ-FPCVCCKLSA-N 394.449 1.288 0 50 GDAA O=C(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)NCc1ccccc1 95373021 WHULZCOCSNSDAR-RTBURBONSA-N 378.476 1.934 0 50 GDAA CN1C(=O)NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C1=O 248078321 ZWXCYLAOHCOJKU-LRDDRELGSA-N 383.326 1.161 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 299752572 UPSDGLFZCNEMJL-WFASDCNBSA-N 378.450 1.972 0 50 GDAA Cc1cccc(CCN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)n1 1565511205 BLQPJUOEOPFFRN-UXHICEINSA-N 386.521 1.311 0 50 GDAA Cc1nc(N)sc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565512871 ZLEFSXDPJOIIJI-STQMWFEESA-N 377.422 1.698 0 50 GDAA O=C(NCc1cccs1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952982548 AVXXWABZMIGRCF-UHFFFAOYSA-N 386.543 1.696 0 50 GDAA Cc1ncnc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cnnn3)CC2)c1C 952985224 QREVAJAPEVMVTD-QGZVFWFLSA-N 378.440 1.018 0 50 GDAA COc1cccc(CC(=O)NC[C@@H]2CCCN(c3ccc(C(=O)O)nn3)C2)c1 952976557 MYYGHQIQPICXAM-HNNXBMFYSA-N 384.436 1.759 0 50 GDAA CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 272945684 OPSVYUBCDJMVQA-HNNXBMFYSA-N 379.438 1.687 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)NOCc1ccc(F)cc1Br 188922343 YEUVUYSXWMVVQK-LBPRGKRZSA-N 395.250 1.560 0 50 GDAA C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@H]1CO 191846909 BTPZQDYKTWENSJ-WBVHZDCISA-N 380.510 1.491 0 50 GDAA O=S(=O)(Nc1cn(Cc2ccccc2)nn1)c1cnn(C2CCOCC2)c1 192625307 PHGSDDWRNKXMJY-UHFFFAOYSA-N 388.453 1.675 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCc2[nH]c3ccc(F)cc3c2C1 193316176 KJIWKEGNICLSIQ-HIGYNYDNSA-N 393.418 1.999 0 50 GDAA CCc1cc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc(N2CCOCC2)n1 1772710784 SSMGQWYDAZBSHQ-SFHVURJKSA-N 381.480 1.423 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccncc1 12304862 YGQPBZRNVBCJDP-SFHVURJKSA-N 382.464 1.140 0 50 GDAA O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12710064 JGKNIJRMHBYREK-MRXNPFEDSA-N 375.444 1.693 0 50 GDAA COc1ccccc1OCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 206232920 YSHHTMRXYWJZJD-OAHLLOKOSA-N 383.404 1.331 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)C2CC(c3cccc(F)c3)C2)ncn1 1857527120 DNECKCCJDUPUPD-NANBGGJNSA-N 399.470 1.907 0 50 GDAA O=C(CCCn1cncn1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857706263 NJSJWXRCGIOQRU-HXUWFJFHSA-N 382.468 1.938 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCCn2cncn2)cc1OC 1857718864 XCCMRZPECUPGHJ-HKUYNNGSSA-N 390.440 1.037 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cnc(C3CC3)nc2)cc1OC 1875243626 PLLXATMYNKBNOG-OALUTQOASA-N 399.447 1.946 0 50 GDAA COc1cc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(OC)cc1C 1704325703 PVLAKQDXCJAMLP-RTBURBONSA-N 398.525 1.480 0 50 GDAA CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccn([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 828635569 IXIXPNBEPBPMAM-IQUTYRLHSA-N 393.488 1.459 0 50 GDAA Cc1cc(C)nc(N2CCC(C(=O)N3CCCN(c4ncccn4)CC3)CC2)n1 1875281809 YAZIWHLZRCJYHR-UHFFFAOYSA-N 395.511 1.839 0 50 GDAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3cc(OCC4CC4)c4ccccc4n3)C2)N1 1875265480 MCSHAZROOKVCOZ-OAQYLSRUSA-N 394.431 1.838 0 50 GDAA COCCn1nc2c(c1C(=O)N1CC(O)(c3ccccc3)C1)C[C@H](C)O[C@@H]2C 1875315815 IXSPTTATDLQBTP-LSDHHAIUSA-N 385.464 1.895 0 50 GDAA Cn1ncc2c1CCN(C(=O)c1nc(C3CC3)n(-c3ccccc3)n1)[C@H]2C(N)=O 1875394519 LISNLGYMIWFQTJ-MRXNPFEDSA-N 391.435 1.103 0 50 GDAA COc1ncc(CNC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)cc1Cl 888093591 JACZGDFPXBOOBB-KRWDZBQOSA-N 384.864 1.258 0 50 GDAA C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)CS1(=O)=O 888101705 LVAHPLGZLMDTFV-YOEHRIQHSA-N 376.482 1.696 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1 888101796 OIYIRTCAABLLNE-UHFFFAOYSA-N 391.497 1.945 0 50 GDAA Cc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)o1 1775957432 UNVIOBGOYGXBGV-UEMFJGIRSA-N 376.457 1.440 0 50 GDAA Cc1cc(NC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)n(C2CCCCC2)n1 1073301046 FYEHTWMZTAIQKK-CABCVRRESA-N 381.502 1.299 0 50 GDAA O=C(c1ccc2c[nH]nc2n1)N1CC[C@]2(C1)C(=O)N(CCCO)c1ccccc12 2100537272 LBQIODAJKSKJLU-OAQYLSRUSA-N 391.431 1.471 0 50 GDAA COc1cc(-c2cc(=NC(=O)[C@H]3CCn4nccc4C3)[nH][nH]2)cc(OC)c1OC 2100554894 GSQILNYPFNCWQT-LBPRGKRZSA-N 397.435 1.922 0 50 GDAA Cc1c(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)oc2ccccc2c1=O 2325768456 FJVXHAGAXYMVGP-NVXWUHKLSA-N 397.475 1.822 0 50 GDAA O=c1c(Cl)c(NC[C@]23CCC[C@H]2CCO3)cnn1[C@@H]1CCS(=O)(=O)C1 2325802407 GDMRKLLYKVZZHY-HWWQOWPSSA-N 387.889 1.627 0 50 GDAA COC12CC(CN(C(=O)[C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4F)C3)C1)C2 2325806877 MEMOGEVBLFMNOP-MMSRSVNZSA-N 386.431 1.470 0 50 GDAA CC(C)c1ccoc1C(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)co2)CC1 2325828417 GLKQZMFAKQWUIG-UHFFFAOYSA-N 394.449 1.998 0 50 GDAA O=C(C[C@H]1COC(=O)C1)N[C@@H]1CC2(CN(Cc3cccc(F)c3)C2)n2ccnc21 2332238055 XCYKKXINVZBKAX-NVXWUHKLSA-N 398.438 1.748 0 50 GDAA C[C@]12CNC[C@](C)(CN([C@]3(O)C(=O)Nc4ccc(Br)cc43)C1)C2=O 2106699 WQKHMRDEDLDTLX-IXDOHACOSA-N 394.269 1.047 0 50 GDAA biogenic O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 2932925 OMRQHCFWXHNHGM-UHFFFAOYSA-N 381.411 1.670 0 50 GDAA Cc1nccnc1N1CCC2(CC1)c1ccccc1[C@@H](N1CCNC(=O)C1)[C@@H]2O 23128968 JMBVDUATPCJXRA-UXHICEINSA-N 393.491 1.171 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1 20775180 PGFHGNMGDODILX-UHFFFAOYSA-N 381.498 1.385 0 50 GDAA CN1CCN(C(=O)[C@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)CC1 409413434 ICMGQNHRZDISKH-IBGZPJMESA-N 392.459 1.660 0 50 GDAA CCN1CCN(C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1=O 67804695 YPCYGSQUGLYTBO-QFIPXVFZSA-N 387.524 1.828 0 50 GDAA O=C(O[C@H]1CCOC1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 229732392 CXZMPBVZNXSTIE-FZMZJTMJSA-N 387.841 1.599 0 50 GDAA CCN(CC1CCOCC1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67872930 CNQVBTWYFYKGIQ-UHFFFAOYSA-N 388.511 1.529 0 50 GDAA COCCOCC(=O)N1CCCn2nc(-c3nc4ccccc4n3C)cc2C1 65384532 ALCQRHPNTRJDEW-UHFFFAOYSA-N 383.452 1.832 0 50 GDAA CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1 2800050 TZEKSSJHFZYHEW-HNNXBMFYSA-N 394.472 1.759 0 50 GDAA Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1Cl 2804495 NUBLDPBRKPVFHS-UHFFFAOYSA-N 397.328 1.676 0 50 GDAA Cn1c(CO)nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 409414703 UXJBLADGNJOGQY-HNNXBMFYSA-N 393.403 1.145 0 50 GDAA CC(C)Cn1cncc1CNS(=O)(=O)c1cccc(C(=O)N2CCC2)c1 215731722 JILZPOWJYIBAEO-UHFFFAOYSA-N 376.482 1.864 0 50 GDAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)n[nH]1 77426524 XISIEZOFQQBMPG-OOSNJVJTSA-N 393.447 1.054 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72468998 WCQHTYCCKBZYSF-JENIJYKNSA-N 380.510 1.734 0 50 GDAA O=C([C@@H]1CCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1)N1CCCC1 329583414 LRKGNOCDWJSAGB-WOJBJXKFSA-N 391.556 1.986 0 50 GDAA Cc1cnc2c(C(=O)N[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)cnn2c1 72154552 UOBZOHPWUUZGNS-INIZCTEOSA-N 381.411 1.750 0 50 GDAA COc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(S(C)(=O)=O)c1 490645234 MUIZLLIXDROFGU-HOTGVXAUSA-N 383.470 1.036 0 50 GDAA COc1cccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1OC 72462740 FUVKGZSRJMZQEW-CVEARBPZSA-N 394.493 1.037 0 50 GDAA CO[C@@H]1C[C@@H]2C[C@@H](NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)C[C@@H]2C1 333602692 QRSQQKBZCYFBOR-LOXOPEBLSA-N 382.530 1.366 0 50 GDAA Cc1ccc(OCCCCNC(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)cc1 262919395 FLSVHTSDBISYSQ-GOSISDBHSA-N 393.484 1.581 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1c(C)n(C)c3ccccc13)C2 284325984 OLWAOEOVHLKEET-UHFFFAOYSA-N 386.477 1.810 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCCNc1cccnc1 72150555 VCVKBOPYTOKGDS-SFHVURJKSA-N 385.443 1.140 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)Nc4cnn(CC(F)F)c4)CC3)ncnc21 174840776 GKKLHNQTHMVFDP-UHFFFAOYSA-N 391.386 1.179 0 50 GDAA CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)N2CCC(C(N)=O)CC2)s1 44901587 XRVOWHKSQJLXFG-CQSZACIVSA-N 394.497 1.321 0 50 GDAA O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1 285992429 RSFVJDOVQLKRKU-ZDUSSCGKSA-N 386.374 1.423 0 50 GDAA CCCC(=O)N[C@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 176604091 NSQRKNUOONMFEV-HNNXBMFYSA-N 380.514 1.655 0 50 GDAA CNS(=O)(=O)c1ccc(CCC(=O)N(C)[C@H](C)Cc2cnccn2)cc1 222750407 XZJHBCNSIUEEGW-CQSZACIVSA-N 376.482 1.407 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 519291961 IJRJMKUWXBJBRN-IBGZPJMESA-N 382.512 1.522 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)c1 95380456 RBFYEKYONNQPAR-GOSISDBHSA-N 376.453 1.700 0 50 GDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC4(CC3)CNC(=O)O4)c2n1 426555778 BLPNHHXRZQDAGD-UHFFFAOYSA-N 383.330 1.771 0 50 GDAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCSc1nnc(-c3ccncc3)o1)C2 95362358 SWYWATADSXCMKC-UONOGXRCSA-N 387.465 1.693 0 50 GDAA CN1CC[C@H](NS(=O)(=O)c2cccc(C(=O)NCCc3ccco3)c2)C1 95362139 HFZMEYUAVNTKPH-HNNXBMFYSA-N 377.466 1.235 0 50 GDAA O=C(c1ccnnc1)N1CCC2(CCN(Cc3ccccn3)CC2)[C@@H](CO)C1 97784941 DKSDGNVHTSLQHK-GOSISDBHSA-N 381.480 1.608 0 50 GDAA O=C(Nc1cccc(Cn2cncn2)c1)N[C@H]1CCCN(c2cnccn2)C1 95527545 QTGQLLYEISMRBN-KRWDZBQOSA-N 378.440 1.907 0 50 GDAA C[C@H]1C[C@@H](C)CN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1 244719029 LVMUTPZRGOUDTF-SOLBZPMBSA-N 386.496 1.320 0 50 GDAA O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccc(O)cc1 253535925 VORDMALNOBFBEL-GOSISDBHSA-N 381.432 1.809 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(=O)O)c1 299753254 XMBOPOITMUIDSC-JKSUJKDBSA-N 382.482 1.026 0 50 GDAA C[C@@]12CC3CC(OCCNC(=O)CC[C@@H]4NC(=O)NC4=O)(C1)C[C@](C)(C3)C2 952975123 DGOGTTHKSSLHMV-WMUIEFFTSA-N 377.485 1.856 0 50 GDAA CCC[C@@]1(C)C(=O)NCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 187317101 HNJQRURXMJMWIY-PXNSSMCTSA-N 377.460 1.716 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)C1 1704339111 DGAIHZDPQXRZGI-GOSISDBHSA-N 381.494 1.555 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCCN(C(=O)Cn2cccn2)CC1 1772711615 FQDMDFNLQQRLKN-UHFFFAOYSA-N 395.507 1.705 0 50 GDAA CNC(=O)[C@@]12CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)[C@H]1CN(C)CC2 1775982767 YBJRDHZKYMRMKE-HRAATJIYSA-N 387.480 1.780 0 50 GDAA CCn1ccnc1CNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 11820070 ZEQGSHYPLIVMPQ-SFHVURJKSA-N 383.496 1.343 0 50 GDAA O=C1N[C@H](c2cccc(O)c2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 11859295 IKZIMWGLKBWNBI-WOSRLPQWSA-N 381.310 1.891 0 50 GDAA COc1ccc(OC)c(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1 12446280 KDWHZVUGLIJMRH-UHFFFAOYSA-N 398.419 1.368 0 50 GDAA O=C(NCCCN1CCOCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 19219426 WRRYAZXVQWHFOH-KRWDZBQOSA-N 377.460 1.403 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(S(=O)(=O)C1CCOCC1)CC2 1857673352 GYQQYYFKBPFTFR-UHFFFAOYSA-N 375.494 1.997 0 50 GDAA Cn1c([C@@H]2CCCN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)nc2ccccc21 1857677583 INQBWEFJFYQIQH-GFCCVEGCSA-N 377.412 1.292 0 50 GDAA CCCC(CCC)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)C[C@H]2C(=O)O 1857684278 GLQGCOPYVWPRIK-HNNXBMFYSA-N 388.530 1.788 0 50 GDAA CCCOc1ccccc1CCNC(=O)[C@]12COC[C@H]1CN(S(C)(=O)=O)C2 1857685078 OJLUGGAGCCUZEL-VQIMIIECSA-N 396.509 1.042 0 50 GDAA Cc1nn(C)cc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857691109 UQCXXYGCRKBAQE-SFTDATJTSA-N 398.507 1.768 0 50 GDAA Cn1nccc1CCC(=O)N1CCC2(CC1)CN(CC1CCC1)C(=O)CCO2 1857723938 DCZWTEWTWGRZQI-UHFFFAOYSA-N 388.512 1.763 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857736350 PZEJWASOUAZFDU-ROUUACIJSA-N 380.448 1.541 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3nccc(N4CCC(O)CC4)n3)C[C@H]12 1857740620 MOSFKYAEEQHZPJ-MRHSLFKSSA-N 386.496 1.875 0 50 GDAA CCN1CCC[C@@H](CN(C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H]1c1cnn(C)c1 328651968 WFJUKTLAJPHHAV-DCXXXQMHSA-N 391.560 1.761 0 50 GDAA O=C1[C@H](n2nnc3c(cnn3-c3ccccc3)c2=O)CCN1CC(F)(F)F 156338421 QXXDEMMLWFUYGH-GFCCVEGCSA-N 378.314 1.313 0 50 GDAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC3(CCOCC3)C2)C1=O 266240824 SXDCJTDKNAKBBO-HXUWFJFHSA-N 385.464 1.873 0 50 GDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)N[C@H]3CC=CCC3)C4)C[C@H]2C1 952890533 BVPATCOWEOROBQ-KSZLIROESA-N 382.512 1.651 0 50 GDAA O=C(Cc1cc2nc[nH]c2cc1Br)N[C@@H]1CNC[C@@H]1n1cccn1 1875393463 GDOMNNUPZGMUBJ-CABCVRRESA-N 389.257 1.394 0 50 GDAA O=C(N[C@H]1CN([C@H]2CCc3ccccc3NC2=O)C[C@H]1O)c1cnc(C2CC2)o1 1875333836 NGMKIXAFWJSPMT-YESZJQIVSA-N 396.447 1.280 0 50 GDAA C=CC(=O)N1CCc2c(CNC(=O)[C@]3(C)CCCS3(=O)=O)cccc2C1 1875388341 XISCRYQQAFJWJM-IBGZPJMESA-N 376.478 1.341 0 50 GDAA CN(C)S(=O)(=O)c1cccc(Cn2c(Cc3ccc(F)cc3)noc2=O)c1 1875317970 IGYYGQMTTXJAQH-UHFFFAOYSA-N 391.424 1.865 0 50 GDAA Cn1c(=O)c2c(nc3n2CC(c2ccc(Br)cc2)=NN3)n(C)c1=O 4494474 GGBSAQPHKWSEBG-UHFFFAOYSA-N 389.213 1.026 0 50 GDAA biogenic CCOC(=O)C1=C(CSCC(=O)O[C@H](C)c2cccnc2)NC(=O)N[C@H]1C 2325728927 CCAJZMZEIBPCKD-NWDGAFQWSA-N 393.465 1.938 0 50 GDAA CCc1nc(CN2CCC[C@@H](N(C)C(=O)[C@H](N)C3(OC)CCCC3)C2)no1 2325800764 FAOGQUSAAVCJIP-PBHICJAKSA-N 379.505 1.341 0 50 GDAA CN1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c4cnccc34)C2)C1 2325808635 NOQBXGUNZACUPI-HOTGVXAUSA-N 383.496 1.412 0 50 GDAA O=C([C@@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1CCCC2(C=C2)C1 2325810850 JTWPBBPYBSQHRY-CYBMUJFWSA-N 387.383 1.914 0 50 GDAA CCc1cn2c(C(=O)Nc3cc(C(=O)NC)cc(C(=O)NC)c3)cccc2n1 2325873024 WDCHIVISODUWAO-UHFFFAOYSA-N 379.420 1.868 0 50 GDAA O=C(CC1CCC1)NC[C@@H]1C[C@H](C(=O)NCCc2ccc3c[nH]nc3c2)CO1 2332237576 BSHFRCLDHJTQJC-ROUUACIJSA-N 384.480 1.933 0 50 GDAA Cc1coc(C)c1C(=O)N[C@@H]1CC2(CN(C(=O)COCC3CC3)C2)n2ccnc21 2332237579 BVEYFLOWRONPPB-MRXNPFEDSA-N 398.463 1.932 0 50 GDAA O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 922632 NKDJNRSMKKVCFC-UHFFFAOYSA-N 388.511 1.319 0 50 GDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356152727 YETUOZFHHOJUHJ-WCVJEAGWSA-N 391.537 1.989 0 50 GDAA CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 4288737 NXGXFAKJUWEFEC-ILHTXMRTSA-N 399.443 1.908 0 50 GDAA in-vitro O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 4756040 NEPNPJUBRBUMDN-GXDHUFHOSA-N 379.210 1.922 0 50 GDAA C[C@H]1Cc2ccccc2N1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 67601766 OEYNDXTVLPBORC-HNNXBMFYSA-N 379.526 1.616 0 50 GDAA CCOC(=O)N1CCC(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 65375275 AARXJLMBKTYYPW-UHFFFAOYSA-N 376.457 1.818 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1 67621302 UMZRMWFILXJZNZ-AWEZNQCLSA-N 379.482 1.814 0 50 GDAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 67742321 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CCOCC1(CNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)CC1 71747834 LXTIFSMSLPUDRH-MRXNPFEDSA-N 389.496 1.909 0 50 GDAA O=C(CC1(C(=O)O)Cc2ccccc2C1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 237914643 WUAAXXZGFFEFBR-CYBMUJFWSA-N 384.354 1.526 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1n[nH]c2c1CCCCC2 72168863 OZZHWMDZBIZNNU-IBGZPJMESA-N 387.528 1.794 0 50 GDAA O=C(NCc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 174349293 HFRHLSHDFGNQKX-SFHVURJKSA-N 378.432 1.440 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCn4nc(C)nc43)ccc21 177003007 JEYLJRKDCVDNPI-OAHLLOKOSA-N 375.454 1.309 0 50 GDAA O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1cc(Cl)c[nH]c1=O 223697554 MKRGVLCJDRHTFX-HZPDHXFCSA-N 378.812 1.487 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCn2nc([C@@H](O)C3CC3)cc2C1 223352603 DFILXQLWLZLIIO-SFHVURJKSA-N 377.466 1.848 0 50 GDAA CC(C)c1nc(-c2ccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)cc2)no1 426399276 SPQROFDFEGFNSF-UHFFFAOYSA-N 381.440 1.936 0 50 GDAA O=C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CCN1 91965875 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CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)ccc21 826847007 ZSQBZRAXGOAVKJ-HZPDHXFCSA-N 377.466 1.084 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@]3(CCOC3=O)C2)(c2ccccc2)CC1 1353988075 NNAUIKNIAJDWLW-NRFANRHFSA-N 382.460 1.898 0 50 GDAA O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)N1CCN(CCO)CC1 888104904 PXWPAIRXFDBVPK-UHFFFAOYSA-N 385.508 1.872 0 50 GDAA C[C@H]1Oc2ccccc2N(CCC(=O)NCc2nc(C(=O)O)cs2)C1=O 268912406 YTELGSVMTOVOHT-SNVBAGLBSA-N 375.406 1.662 0 50 GDAA Cc1ccccc1OCC(=O)NC[C@H]1CCCN(CCN2CCOCC2)C1 952983599 VTLLYPCAMZWTSQ-LJQANCHMSA-N 375.513 1.534 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 275721811 OTXSLDCJHNGIKT-SNVBAGLBSA-N 378.322 1.702 0 50 GDAA NC(=O)c1cccc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)c1 191993778 JWCIGLDNPXMFMJ-UHFFFAOYSA-N 396.472 1.845 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(C(=O)c3ccoc3)CC2)C1 1506417409 JKSGDPDUDOABIZ-HNNXBMFYSA-N 385.486 1.031 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@H]2CCCNC2=O)ccc1F 1704337756 YYJJSTFFDORJHD-LBPRGKRZSA-N 376.388 1.564 0 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NGINQVWMJUYSIM-INIZCTEOSA-N 395.525 1.532 0 50 GDAA Cc1cncc(N2C[C@@H]3[C@H](CNC(=O)c4cnccc4C)[C@H]4CC[C@]3(C2)O4)n1 1857712890 WCAORVGEYUAARS-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA CCCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)C(C)(C)OCC)[C@H]3CC[C@]2(C1)O3 1857718839 VNWFDWISAXPZML-QCBUCWTNSA-N 381.517 1.907 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)C3CC=CC3)[C@H]2c2cnn(C)c2)CC1 1857723440 FYBYDOKCLPENKA-PMACEKPBSA-N 387.528 1.292 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)cc2)C(=O)N1 1857734528 VAHIGBORIYPPKQ-HKUYNNGSSA-N 395.415 1.317 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCN(C)C2(CCOCC2)C1 1857735854 UWMSMNRBFPCQRV-UHFFFAOYSA-N 380.514 1.225 0 50 GDAA Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4ccnc(N)n4)C3)CC2=O)cc1 328586533 PQNMBEBQAYGJLZ-CVEARBPZSA-N 379.464 2.126 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N2CCOC[C@H]2c2ccccc2)c1=O 742955776 PJBPZURXCKEQIP-IBGZPJMESA-N 393.443 1.783 0 50 GDAA Cn1cc(-n2cc(C(=O)N3CCCN(c4ncccc4F)CC3)ccc2=O)cn1 784168972 BGXRHWZPDXIBST-UHFFFAOYSA-N 396.426 1.458 0 50 GDAA CC[C@H](C)[C@H](O)Cc1nc(Cn2cncn2)nn1-c1ccnc2cccnc12 1875336097 RWTVQHUUHNYJMW-XJKSGUPXSA-N 378.440 1.800 0 50 GDAA COC(=O)[C@@]1(CN)C[C@@H]2CN(C(=O)[C@@H](CN)Cc3ccc(Cl)cc3)C[C@@H]2C1 1875304202 DAEIVWTXQFZHLD-DICRZQGBSA-N 393.915 1.444 0 50 GDAA C=CC(=O)N1CC(O)(CNC(=O)C2CC(c3ccc(OC(F)(F)F)cc3)C2)C1 1875389457 PIHNZNAAWCFJRI-UHFFFAOYSA-N 398.381 1.954 0 50 GDAA Cc1nc(C(=O)NCc2nn(C)cc2Cl)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403812 FAQNFSJZDKIFCV-CYBMUJFWSA-N 391.907 1.551 0 50 GDAA COCCOCCS(=O)(=O)Nc1c(C)nn(C)c1Sc1ccccn1 888096463 VZTKKWPHMRNUSM-UHFFFAOYSA-N 386.499 1.679 0 50 GDAA Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c(O)n1 1073389327 WJGKOTFYNUCUCY-CVEARBPZSA-N 384.484 1.496 0 50 GDAA CN(C)S(=O)(=O)c1ccccc1Cn1nnnc1N1C[C@@H]2CC(F)(F)[C@H]2C1 2325777692 VQIFWRVOCVJXRX-STQMWFEESA-N 398.439 1.063 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cccc3cnccc23)C[C@H](C(=O)O)S1(=O)=O 2325875597 XKIMULKXPYYUAM-IUODEOHRSA-N 376.434 1.631 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 2325888610 KJWNFGXACOLRNZ-DZGCQCFKSA-N 375.856 1.986 0 50 GDAA CCn1cc(C(=O)N[C@@H]2CC3(CN(C(=O)c4ccsc4)C3)n3ccnc32)cn1 2332237595 CVEZZKXFTLYJMF-OAHLLOKOSA-N 396.476 1.887 0 50 GDAA COc1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cn1 2356150846 BZWINKLBVZMUQY-FIKGOQFSSA-N 387.480 1.991 0 50 GDAA CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 6726900 UAXRZAUHWSWSQM-UHFFFAOYSA-N 387.310 1.649 0 50 GDAA CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C(=O)N1CCOCC1 59765788 OYGOAAUNOQLSRI-UHFFFAOYSA-N 381.432 1.756 0 50 GDAA O=C(c1ccc(NC[C@@H]2CCCOC2)nc1)N1CCC(N2CCOCC2)CC1 67934471 XIHIXKLJJTZQBV-KRWDZBQOSA-N 388.512 1.857 0 50 GDAA CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@@H]1CCCO1 172173226 JPSPLISWRKGDBT-FQEVSTJZSA-N 387.524 1.767 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)C1 67689166 YPVNCXSJERIAMJ-SFHVURJKSA-N 395.507 1.980 0 50 GDAA COc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc1 4742663 XZXWAPHFDRNFPF-UHFFFAOYSA-N 387.417 1.982 0 50 GDAA O=C1CC[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C2(CCC2)N1 283641735 NVDTWMSMJKFNNI-IBGZPJMESA-N 385.508 1.822 0 50 GDAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC(O)(C(=O)O)CC3)sc21 71681287 PQIDMEZLXVXAAV-UHFFFAOYSA-N 377.344 1.705 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](C)O)CC3)o1 77422011 REIBEHNTTAPPTF-CYBMUJFWSA-N 378.450 1.332 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 328609328 CWKLUNOBFHXOSB-HNNXBMFYSA-N 389.836 1.848 0 50 GDAA CC(C)c1nccc(NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1 328604800 LBDWOGQDJRDEKJ-OAHLLOKOSA-N 384.484 1.943 0 50 GDAA CN(C)c1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)NC1CCOCC1 72435075 WZAWMLPTKOWLHZ-INIZCTEOSA-N 375.469 1.279 0 50 GDAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)C(=O)NCc1ccccc1 363794115 UWTLVSUVQSWPHH-YTQUADARSA-N 388.512 1.634 0 50 GDAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 363792788 OADZFDXGAFOZPP-QZTJIDSGSA-N 375.469 1.185 0 50 GDAA O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN3CCOC[C@@H]3C2)CC1 363819756 MGFDAFFMXQMCBQ-INIZCTEOSA-N 393.434 1.360 0 50 GDAA CN(CC(N)=O)C(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71748420 GUMJKVGKXSUOJV-QFIPXVFZSA-N 379.460 1.867 0 50 GDAA O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nc(=O)o[nH]2)cc1 490056023 DBNHMBMJKRFIPI-CQSZACIVSA-N 382.351 1.704 0 50 GDAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(c2nc[nH]n2)CC1 371918427 MNNZEEIBJKYROD-UHFFFAOYSA-N 380.452 1.928 0 50 GDAA O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(O)CC3)cc2)[nH]1 48140040 NSKWPPLMPNGQIQ-UHFFFAOYSA-N 379.464 1.833 0 50 GDAA CN1CCN([C@@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c2ccccc2)CC1 178057010 SFPUGFZTLREODX-HXUWFJFHSA-N 399.516 1.944 0 50 GDAA CC(C)(C)c1ccc(CN2CCN(C(=O)NCCCc3nn[nH]n3)CC2)cc1 426399053 OTBKISCOHWATMM-UHFFFAOYSA-N 385.516 1.957 0 50 GDAA COCCn1cnnc1[C@H](C)NC(=O)N1CCCOc2c(cccc2OC)C1 426465115 GLZKVXVWKRJTCG-AWEZNQCLSA-N 389.456 1.988 0 50 GDAA CCN(C(=O)c1cnc(-c2csc(C)n2)nc1O)[C@@H]1CCS(=O)(=O)C1 91973933 UGZDJKKPZBTBDD-SNVBAGLBSA-N 382.467 1.263 0 50 GDAA O=C(NCCc1c(F)cccc1Cl)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 92019956 XIVAAEXIEKZPDS-KGLIPLIRSA-N 397.878 1.222 0 50 GDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCCCC2)CC1 96132768 FBQHADPPQKDBDF-UHFFFAOYSA-N 375.517 1.934 0 50 GDAA Cc1c(CC(=O)NCc2n[nH]c(=O)[nH]2)c2c(n1Cc1ccccc1)CCCC2=O 95530064 XNCJJRVBKYEDBF-UHFFFAOYSA-N 393.447 1.634 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H](C)OC(C)C)CC2 91664687 PHHJLVXIMJTMRM-ZDUSSCGKSA-N 375.473 1.453 0 50 GDAA CCN1CC2(CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(OC)cc43)CC2)CC1=O 95506007 GZVXRLCZYVFDCI-MRXNPFEDSA-N 385.464 1.982 0 50 GDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCCn3cccn3)N=C2O)cc1 252540187 OVPGWHZGUQUQFG-MRXNPFEDSA-N 385.424 1.113 0 50 GDAA CSCc1noc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)n1 534585923 OCVNSKGKKWFUBA-GFCCVEGCSA-N 381.502 1.865 0 50 GDAA Cn1c(C(=O)Nc2nc(-c3nc4ccccc4[nH]3)cs2)cc(=O)n(C)c1=O 1940195580 ZCXPRDVQDUJAAQ-UHFFFAOYSA-N 382.405 1.336 0 50 GDAA NC(=O)c1csc(S(=O)(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 826849015 YGQVFKVDIIBLMN-GFCCVEGCSA-N 385.536 1.851 0 50 GDAA C[C@H](C(=O)N1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1)n1cccc1 820619819 ZPECHDINSNKVIY-QGZVFWFLSA-N 382.464 1.978 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@@H]1CCCN(Cc2cccs2)C1 828013168 YFIMRRXSAYPRRV-OAHLLOKOSA-N 398.492 1.883 0 50 GDAA O=S(=O)(c1cccs1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952988123 BGKMMYZCXWBNRZ-UHFFFAOYSA-N 393.556 1.175 0 50 GDAA Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1N 958528818 KMDCGXGXIBRIOG-UHFFFAOYSA-N 390.465 1.494 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 270775437 BJMJXUFPUNVBAY-UHFFFAOYSA-N 387.480 1.819 0 50 GDAA Cc1c(Br)cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(=O)n1C 277490099 RUOYBDQDKQBHAD-UHFFFAOYSA-N 391.287 1.105 0 50 GDAA CC(C)n1c(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc2ccccc21 1616082223 SVAIHPFKPNBQCL-PBHICJAKSA-N 380.514 1.301 0 50 GDAA O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)NCc1cc2cc(F)ccc2[nH]1 1506424278 ZVJACVLJILEILI-UHFFFAOYSA-N 394.410 1.776 0 50 GDAA CN(C)CCN1C[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CC1=O 1704304349 MLHIFDPYELNGTE-OAHLLOKOSA-N 391.537 1.549 0 50 GDAA COc1ccc(F)cc1CN1CCN(C(=O)C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 213045122 LSSPUDMLYMSNBH-CVEARBPZSA-N 384.473 1.300 0 50 GDAA CCC[C@H]1CN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C[C@@H]1NC(C)=O 216596408 AVIQQWBXUPXBQN-HOCLYGCPSA-N 381.498 1.328 0 50 GDAA CSCC(=O)N1C[C@@H]2CN(CCCOc3ccc(F)cc3)C[C@@]2(CO)C1 1772709997 LEADUSURAWEYQP-KXBFYZLASA-N 382.501 1.710 0 50 GDAA CN(C)C[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1772705447 HPRKINZZFKYMFK-HNNXBMFYSA-N 396.431 1.910 0 50 GDAA CC(C)(C)c1cc(CN2C[C@@H]3CN(CC4COCCOC4)C[C@@]3(CO)C2)[nH]n1 1772811646 WJWCMDFPPRRRCE-UWJYYQICSA-N 392.544 1.096 0 50 GDAA CCN(Cc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 12303558 YMYCLKXCKOTBQB-MRXNPFEDSA-N 381.502 1.221 0 50 GDAA COc1cccc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 13008894 DTUYPMCLDFPWTN-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(Cc2ccccc2F)nn1 15064540 XPBCYNNSHKHPMM-CQSZACIVSA-N 376.388 1.260 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3cccn3C)C2=O)cc1 206240155 CPBAECJIIZDECP-QGZVFWFLSA-N 384.436 1.203 0 50 GDAA Cc1ccc(S(=O)(=O)OCCOCCOCCOCCC(=O)O)cc1 166862851 BAXYSSILQKCWFA-UHFFFAOYSA-N 376.427 1.225 0 50 GDAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 151549948 SQZMJBXPWJCUDV-APPDUMDISA-N 378.425 1.996 0 50 GDAA O=C(N1CCOCC1)[C@]12COC[C@H]1CN(Cc1cc3c(cc1Cl)OCO3)C2 1857684056 XLRGCTQXVAJGOD-AUUYWEPGSA-N 394.855 1.376 0 50 GDAA O=C1C[C@H]2[C@H](CCN2CCn2c(=O)oc3ccccc32)N1Cc1ccccn1 1857694036 XQOCHLIEWJNDTG-WMZOPIPTSA-N 378.432 1.865 0 50 GDAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857712550 QOPXASKIKALOST-VZGVRVRRSA-N 395.503 1.817 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1nc(-c2cnccn2)n[nH]1 1857715643 AYCMIMHLYOYZCN-UHFFFAOYSA-N 393.436 1.668 0 50 GDAA CC(C)C(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@]23CC[C@H]1O3 1857719002 ARVQBONJSGBDHC-JRBPQWBISA-N 392.521 1.768 0 50 GDAA CCCn1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2n2ccnc2C(C)C)c(C)n1 1857720004 ZRXPMFUOGZOLFU-JKSUJKDBSA-N 393.513 1.690 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4c(F)cccc4F)[C@@H]2CC(=O)N13 1857727058 JLMMOSCFXPYYKJ-VBQJREDUSA-N 386.420 1.711 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CSc1ccccc1)C2 247956412 OHQIENCYNGMQFH-CABCVRRESA-N 383.539 1.508 0 50 GDAA Cc1c(C(=O)N2CCN(C(=O)[C@@H]3NC(=O)O[C@H]3C)CC2)sc2ccccc12 841395908 BHRHJNFAHJEZHX-SWLSCSKDSA-N 387.461 1.991 0 50 GDAA CC(=O)N1CC2(C1)[C@H](C(=O)N(Cc1ccccn1)CC(C)C)CCS2(=O)=O 1875396121 WDYBSGJMQCKAOG-KRWDZBQOSA-N 393.509 1.102 0 50 GDAA Cn1cc([C@H]2CSCCCN2C(=O)c2ccc(CNS(C)(=O)=O)o2)cn1 888886851 YZDXLTHKXHCFFI-CQSZACIVSA-N 398.510 1.383 0 50 GDAA CN1CCCC[C@@H](CNC(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)C1 897557756 AGAMMAAQSJNOSQ-HNNXBMFYSA-N 391.516 1.978 0 50 GDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccncn3)c2)CC1 23375524 FDDLPEHKPGBFRF-NRFANRHFSA-N 399.539 1.486 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 248529213 KJIWKEGNICLSIQ-SEEPXDQQSA-N 393.418 1.999 0 50 GDAA O=C(Cn1ncc(N2CCNCC2)cc1=O)N(Cc1ccccc1)C1CCCC1 20560638 XJZZIJRRBDSXSM-UHFFFAOYSA-N 395.507 1.624 0 50 GDAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 65356359 BPRYPMDUELWFQS-QGZVFWFLSA-N 375.432 1.932 0 50 GDAA COc1cc2[nH]c(=O)c(CN3CCCN(C(C)=O)CC3)cc2c(OC)c1OC 67884409 AZHCZPGTNBYDJR-UHFFFAOYSA-N 389.452 1.608 0 50 GDAA CC1=C(C(=O)NCCCn2c(C)cccc2=O)[C@H](c2cccnc2)NC(=O)N1 67856339 HTDUEKPKLYYQRP-SFHVURJKSA-N 381.436 1.386 0 50 GDAA Nc1nnnn1CC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12709542 ZFPGGSRNLKSFHE-SFHVURJKSA-N 391.426 1.048 0 50 GDAA O=S(=O)(c1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1)N1CCOCC1 71752273 CYAVATPSNZVWBV-HNNXBMFYSA-N 394.415 1.471 0 50 GDAA Cc1cncn1C1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 369152501 BCINNRBIHCFWBB-WOJBJXKFSA-N 382.464 1.954 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)NCC2=CCCOC2)c(Br)c1 379555305 GMHJLXGBXJCXBN-UHFFFAOYSA-N 376.228 1.772 0 50 GDAA CCOc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72476833 XNGRJSBCZNLGDK-SJORKVTESA-N 394.493 1.191 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCCCC1 72437861 VVOQDOBYZOKWST-UHFFFAOYSA-N 396.509 1.661 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc3cc[nH]c23)CC1 173143313 ZSQHAXMLQKSJLJ-UHFFFAOYSA-N 388.449 1.919 0 50 GDAA COCc1nc(NCCc2nc3ccccc3c(=O)[nH]2)cc(C2CC(N)C2)n1 222808675 YOLZUSHYTAPGPQ-UHFFFAOYSA-N 380.452 1.719 0 50 GDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCc3nc(N)cc(O)n3)c2n1 426640607 ZVRMOUDPODTSMR-UHFFFAOYSA-N 381.318 1.107 0 50 GDAA Cc1cc(O)nc(CCNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)n1 426394614 OTQQAKNONDJCHM-UHFFFAOYSA-N 378.436 1.986 0 50 GDAA O=C(NCCN1CCCCC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 426490787 ZWJDCMLYAJDLLW-SFHVURJKSA-N 379.526 1.871 0 50 GDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ncc[nH]2)CC1 426510282 NURAUTURNOKDIM-SFHVURJKSA-N 388.443 1.820 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CCCN(Cc3ccco3)C1)C2 426658258 CXDKIKAMOWYUEA-MRXNPFEDSA-N 385.468 1.367 0 50 GDAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95356001 INEYVXPYEHHCNN-QGZVFWFLSA-N 376.420 1.327 0 50 GDAA NC(=O)Cc1nc(-c2cccc(N3CCNC3=O)c2)n(Cc2ccccc2)n1 91664617 ZUMYNDNHUARILX-UHFFFAOYSA-N 376.420 1.551 0 50 GDAA C[C@@H]1CCCN(c2cc(C(=O)NC[C@H]3CCn4ncc(C(N)=O)c4C3)ccn2)C1 293120381 DGIXSBSOTCYMCO-CABCVRRESA-N 396.495 1.606 0 50 GDAA CN(C)c1ncc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cn1 95521408 UVTGBLYSEHTTRK-UHFFFAOYSA-N 395.511 1.552 0 50 GDAA Cc1cnc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cn1 91519199 WWXVNGDHVJZKLX-FQEVSTJZSA-N 382.468 1.596 0 50 GDAA CCc1ccc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)nc1 96139347 XZFVRLGYFKLECQ-UHFFFAOYSA-N 384.528 1.984 0 50 GDAA CN1CCCN(C[C@H]2C[C@H](CO)CN(Cc3ccc4c(c3)OCO4)C2)CC1 91644849 LGCQUNDRLPPDBJ-MOPGFXCFSA-N 375.513 1.483 0 50 GDAA O=C(c1cnc(-c2ccccn2)nc1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 92045643 BDSNRRCHLSMCCU-QZTJIDSGSA-N 381.480 1.705 0 50 GDAA CC(C)NC(=O)CN1CCN(C(=O)NCc2csc3c2CCCC3)CC1 534634942 KMASGANHEBTSEX-UHFFFAOYSA-N 378.542 1.979 0 50 GDAA Cc1nn(CCC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)c(C)c1C 1565527465 MUKYDFVQRQYKMP-IRXDYDNUSA-N 377.514 1.407 0 50 GDAA CCCCc1ncc(CN2CCN(C(=O)C3CCC3)[C@H]3CS(=O)(=O)C[C@H]32)[nH]1 1565505543 WEHYFULABFEVLB-SJORKVTESA-N 394.541 1.362 0 50 GDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)CCN1C(=O)COc2ccccc21 268941693 JXGIYTBVAQACAN-KRWDZBQOSA-N 380.400 1.840 0 50 GDAA CN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1)c1ccccn1 408521453 USUGUYXPEKAURN-OAHLLOKOSA-N 375.450 1.504 0 50 GDAA Cn1c(C(C)(C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nc2ccccc21 186794551 IQPPCIIMCPPDAM-CYBMUJFWSA-N 378.498 1.596 0 50 GDAA COCc1cc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)[nH]n1 1529172085 HUKCNTYXTACYRM-CVEARBPZSA-N 378.816 1.082 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@H]2O)on1 1704350974 SIVSJHOBAAQRFK-PBHICJAKSA-N 393.465 1.054 0 50 GDAA Cc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2cccc(C)c2n1 1704331171 PIHLKRUAOMLIHO-YOEHRIQHSA-N 391.493 1.488 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)c3nc4ncccn4n3)CC1)OCC2 1704338852 ZWJQHROFKAURDU-UHFFFAOYSA-N 379.420 1.837 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(S(=O)(=O)c1c(Cl)cccc1Cl)C2 1704331240 LHVGMOMUFBYTBJ-ZJUUUORDSA-N 379.265 1.471 0 50 GDAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(OCCCN3CCOCC3)cc1)C2 1772708522 HVZIRSCYZXGODV-IFMALSPDSA-N 390.524 1.619 0 50 GDAA O=C1NCC(=O)N2[C@@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccc2c(c1)OCO2 12360812 XHDLVMPUSXRZOS-FOIQADDNSA-N 375.384 1.869 0 50 GDAA in-vitro O=C(O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 18156533 VSMOLPGTOUOEGZ-INIZCTEOSA-N 380.404 1.234 0 50 GDAA CCCN1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 19744796 IYACWGWYOOHOKE-FQEVSTJZSA-N 381.467 1.846 0 50 GDAA N=c1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)[nH][nH]1 1857667474 JSPGBRHDLVBNIS-FQEVSTJZSA-N 391.435 1.500 0 50 GDAA CCc1ncc(S(=O)(=O)N[C@H]2CC[C@@H](NC(=O)c3cccc(C)n3)C2)[nH]1 1857681581 GPXPEMCNVQMFSX-OLZOCXBDSA-N 377.470 1.305 0 50 GDAA COCCNC(=O)c1cc2c(s1)C1(CCN(c3ncccn3)CC1)OCC2 1857704664 BAOOGHQZUKTKIL-UHFFFAOYSA-N 388.493 1.983 0 50 GDAA Cc1cnc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](Nc3ncnc4[nH]ccc34)C2)cn1 1857705631 OKHWGJRUSQDECM-APHBMKBZSA-N 381.440 1.314 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCc2ccccn2)C[C@@H]1O)C1Cc2ccccc2C1 1857712464 BGCVEIADOVGILC-IHPCNDPISA-N 379.460 1.369 0 50 GDAA O=C(C1CCOCC1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857716436 MKXNEJJTZOSGAT-OALUTQOASA-N 375.469 1.109 0 50 GDAA COc1ccccc1CC1(O)CCN(C(=O)NCC[C@@H]2CCC(=O)N2)CC1 377252637 CMHHPKMWWCFNSN-INIZCTEOSA-N 375.469 1.443 0 50 GDAA N[C@H]1CCCCCC[C@@H]1C(=O)N1CCc2nnc(N3CCCOCC3)cc2C1 952890655 FWAYWWXDWYPLIZ-ROUUACIJSA-N 387.528 1.886 0 50 GDAA O=C(O)c1cn(CC[C@@H]2CCCCN2C(=O)[C@H]2Cc3cc(F)ccc3O2)nn1 1875277540 PWJTWDVGVUVVQW-WMLDXEAASA-N 388.399 1.890 0 50 GDAA CCc1cncc(S(=O)(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875399300 VLLYMEMBIGQYEX-DAXOMENPSA-N 384.889 1.612 0 50 GDAA CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 2325803057 NHVRIQYXVMKMMW-KRWDZBQOSA-N 387.480 1.131 0 50 GDAA CS(=O)(=O)C[C@H](O)CNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 2325875026 DPCSOAAVKOVWNF-ZWNOBZJWSA-N 376.862 1.258 0 50 GDAA CN(C)CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 128263117 AKKZCCFZSQERAK-GOSISDBHSA-N 396.495 1.660 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 821274 JSZKADWVQDWYQP-UHFFFAOYSA-N 392.433 1.887 0 50 GDAA COC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 1214378 JMCUYDLHMCGURC-UHFFFAOYSA-N 394.401 1.623 0 50 GDAA COCCSc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 2865488 MGHBSYONIOJRJB-UHFFFAOYSA-N 378.435 1.511 0 50 GDAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 2886186 PEIWBGGCKUGWKU-SNVBAGLBSA-N 381.230 1.907 0 50 GDAA aggregator O=C(NCCN1CCOCC1)c1ccccc1NC(=O)c1cnoc1C1CC1 55107837 QMXSROMLSOUHHX-UHFFFAOYSA-N 384.436 1.866 0 50 GDAA COCCN1CC[C@]2(CCC1=O)CN(Cc1nc(C(C)C)no1)CCN2C 108030430 DYDNMEXLBFLSIT-LJQANCHMSA-N 379.505 1.338 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)C(=O)c3ccco3)C2)n(-c2ccccc2)c1=O 67886339 LFSBLNJLLFTFDM-AWEZNQCLSA-N 380.404 1.753 0 50 GDAA COc1coc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1=O 71681934 OMWVJZPPTAGFQE-OAHLLOKOSA-N 389.496 1.603 0 50 GDAA CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 72441694 MGXIMKNKTMLYSL-SECBINFHSA-N 379.533 1.107 0 50 GDAA CCN1CCN(CCN2CC3(CCN(Cc4coc(C)n4)CC3)OC2=O)CC1 72457522 BRNLORVJAKBFTG-UHFFFAOYSA-N 391.516 1.407 0 50 GDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)N1CCC(F)(F)CC1 77517028 AKTDLZJLSLFNMW-FPXQBCRKSA-N 389.402 1.621 0 50 GDAA O=C(NC1CC1)C1CCN(C2CCN(c3nnnn3-c3ccccc3)CC2)CC1 71762307 LOWBFKAMKYOHBY-UHFFFAOYSA-N 395.511 1.622 0 50 GDAA COc1ccc([C@H](CNC(=O)[C@@H](C)OC[C@H]2CCCO2)N2CCOCC2)cc1 241126190 JKEMBTGTTPFUCZ-AHRSYUTCSA-N 392.496 1.769 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CC34CCNCC4)CC2)cc1 237516381 HTCRLYVKUUIFPS-LJQANCHMSA-N 385.508 1.688 0 50 GDAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@](CO)(c2ccccc2)C1 374618206 KQBKDWAOEKWTPH-QGZVFWFLSA-N 385.436 1.863 0 50 GDAA O=C(CCC1CCCC1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72428044 FMGFGVGYHPBZSJ-MOPGFXCFSA-N 391.537 1.862 0 50 GDAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)N3CCc4ncccc4C3)C2)cn1 95354753 ZKFVMEOZGOVIMU-DLBZAZTESA-N 379.464 1.534 0 50 GDAA CCS(=O)(=O)CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92062438 PDAKAPNVGCMDSR-UHFFFAOYSA-N 393.509 1.248 0 50 GDAA CCS[C@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 91475343 OHVWPBJDGLIKPT-CYBMUJFWSA-N 380.514 1.400 0 50 GDAA CCc1ccccc1OCCN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 95365999 DEGMJZCPILQMLS-SJLPKXTDSA-N 381.542 1.830 0 50 GDAA Cc1nc(CN2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)no1 91620442 FZIPZPGGSBIOCD-UHFFFAOYSA-N 379.420 1.691 0 50 GDAA COc1cccc(C(=O)N2CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)c1 95378330 JBJICWCPTNMNDO-MRXNPFEDSA-N 383.452 1.019 0 50 GDAA O=C(CN1CCN(c2cnc3cc(F)c(F)cc3n2)CC1)Nc1nncs1 181504276 WYTZLIPVLNPOHR-UHFFFAOYSA-N 391.407 1.520 0 50 GDAA CCc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc(O)n1 253534955 ZNTAYJILFZETTK-NNUKFRKNSA-N 381.440 1.399 0 50 GDAA CCS(=O)(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 542663014 XKDBDXACSRHFFY-UHFFFAOYSA-N 376.482 1.868 0 50 GDAA Nc1nc(C(=O)N2CCOC3(CCN(C(=O)c4ccco4)CC3)C2)cs1 827597715 GPHFBAGKSUDLMV-UHFFFAOYSA-N 376.438 1.466 0 50 GDAA Cc1cccc(N2C[C@H](NC(=O)N3CCN(C4CCOCC4)CC3)CC2=O)c1 584899525 AUMNMGKGCOWAAE-QGZVFWFLSA-N 386.496 1.607 0 50 GDAA COc1ccc(CN2CCN(C(=O)CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 1565510389 UOMVDGXFIIMGPX-MSOLQXFVSA-N 394.537 1.860 0 50 GDAA COc1cccc(SCC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1 952992214 YOEMZZGMMNQRTM-UHFFFAOYSA-N 377.466 1.672 0 50 GDAA CCc1cc(C(=O)N2CCN(c3ncccn3)[C@H]3CS(=O)(=O)C[C@H]32)cs1 1565510119 QDAHHONVKQWDSZ-CABCVRRESA-N 392.506 1.229 0 50 GDAA Cc1ccc(F)c(CC(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 1471824276 DWKPBPNOVKNHEZ-KRWDZBQOSA-N 379.457 1.799 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@@H]1O 1616076753 KWMDWTNTNRSZKR-SKDRFNHKSA-N 375.903 1.638 0 50 GDAA Cc1cc2c(SCC(=O)N(CCO)Cc3cncn3C)ncnc2s1 1704307886 LMTGASJJKBHRTQ-UHFFFAOYSA-N 377.495 1.846 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cncc(=O)[nH]3)CC1)OCC2 1704342376 OKVSYYQRIXAMQA-UHFFFAOYSA-N 385.420 1.491 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704339601 NLNXFKUHVWRDOK-LSDHHAIUSA-N 393.465 1.286 0 50 GDAA Cc1cc(C)nc(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)n1 11934845 PDIGFVQZRDLKRU-IBGZPJMESA-N 386.496 1.455 0 50 GDAA Cc1ccccc1N1C(=O)CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1C 11999534 WGSQBZUCBSWFMB-HNNXBMFYSA-N 376.420 1.848 0 50 GDAA CCN(CC)CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC 12303936 MNOZVSAUENUQEX-SFHVURJKSA-N 390.528 1.186 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2nonc2C)CC1 12580931 GOCNRVYUIWVUPU-QGZVFWFLSA-N 380.489 1.287 0 50 GDAA COc1cccc(OC)c1C(=O)NCc1nnc(SCCN(C)C)n1C 14987055 BZPDGRHIOVFNES-UHFFFAOYSA-N 379.486 1.416 0 50 GDAA CC(=O)NCCC1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 15075622 ZWWXCPVJYNTFQG-UHFFFAOYSA-N 391.501 1.309 0 50 GDAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)s1 19220739 NDPMPTSQHDJEBZ-AWEZNQCLSA-N 382.449 1.859 0 50 GDAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1nnc(C)s1)CCO2 1857683447 ULULHCJKJMBNSK-UHFFFAOYSA-N 381.502 1.550 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCc3ccccc3C2)CC[C@@H]1N=c1cc[nH]c(=N)[nH]1 1857684642 WKVWRQMNUYHKFV-SZMVWBNQSA-N 381.480 1.492 0 50 GDAA O=C(NCCO)c1cc2c(s1)C1(CCN(c3nccs3)CC1)OCC2 1857706111 AIMPHKGYHLLWQI-UHFFFAOYSA-N 379.507 1.995 0 50 GDAA Cc1nc(O)cc(CNC(=O)[C@]23COC[C@H]2CN(Cc2ccc(F)cc2)C3)n1 1857706179 COCLSAVZPNPMGC-FOIQADDNSA-N 386.427 1.395 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCC[C@H]1c1nc(-c2ccncc2)no1 1857724117 MORXTGDSAGPACP-HNNXBMFYSA-N 379.424 1.451 0 50 GDAA O=C(O)C[C@@H]1CN(CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@H]1O 1857726663 BLLYVDFBCMAALM-CRAIPNDOSA-N 381.904 1.620 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)Cn3ccc4ccccc43)C[C@H]2CO1 1857730324 MJFSIRSMVIRRRH-BZSNNMDCSA-N 384.480 1.078 0 50 GDAA COc1ccc(C2(C(=O)N3CCc4nc(C(N)=O)cn4CC3)CCCC2)cc1 1875241703 YFLMGGXEPYGDNO-UHFFFAOYSA-N 382.464 1.887 0 50 GDAA O=S1(=O)CCNC[C@@H]1Cc1nc(-c2ccccc2OC(F)(F)F)no1 904538433 OWFOKIMYWFYGOU-VIFPVBQESA-N 377.344 1.564 0 50 GDAA O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 832100763 CNTCLWWFFRHJHZ-MNOVXSKESA-N 389.930 1.903 0 50 GDAA Cc1cc(NCCNC(=O)c2ccc(Nc3ncccn3)cc2)n2ncnc2n1 1875263214 LFDLKCUIQDGFPU-UHFFFAOYSA-N 389.423 1.808 0 50 GDAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N=c1nc[nH]n1-c1ncccn1 1875316026 RELSQLDTCKJYIT-JTQLQIEISA-N 378.314 1.904 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)N(C)C)C2 1073261028 RKFTYYZTHWVJMJ-CVEARBPZSA-N 377.489 1.446 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C)on2)C[C@H]1NC(=O)c1cc[nH]n1 2100544708 GGRFSACIMOLYPU-IAOVAPTHSA-N 389.456 1.716 0 50 GDAA O=C(NCc1cc2ncccc2[nH]1)C(=O)N1CCN(CCc2cccs2)CC1 2325779564 OMWOMWXNSJHUFF-UHFFFAOYSA-N 397.504 1.628 0 50 GDAA COC(=O)[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cn2nc(C)cc2[nH]c1=O 2325790979 CHCKWHUFIVEPJK-WMLDXEAASA-N 380.404 1.502 0 50 GDAA Cn1cc(C2CCN(S(=O)(=O)N3CC(NC(=O)OC(C)(C)C)C3)CC2)cn1 2325803645 SCNKIZIRDYXJEG-UHFFFAOYSA-N 399.517 1.053 0 50 GDAA Cn1nnc2cc(C(=O)NCC3(NC(=O)[C@H]4CCOC4)CCCCCC3)ccc21 2325809021 VMSNAXZCKZNGCG-INIZCTEOSA-N 399.495 1.944 0 50 GDAA CC[C@H](NC1=CC(=O)N(c2ccccc2)C1=O)c1cccc(S(N)(=O)=O)c1 2325863084 UXBNGHPQMMVFQO-INIZCTEOSA-N 385.445 1.832 0 50 GDAA CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(CN(C(=O)C4(CC)CC4)C3)n3ccnc32)CCN1C 2332237856 OLZQXZRTBCHWAC-GVDBMIGSSA-N 399.539 1.902 0 50 GDAA CC(C)(O)CC(=O)N[C@@H]1CC2(CN(C(=O)CC3CC(F)(F)C3)C2)n2ccnc21 2332237899 QGJLUVUQSLNOIR-CYBMUJFWSA-N 396.438 1.578 0 50 GDAA COCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 3002687 FNGSTAUMUFUPNY-UHFFFAOYSA-N 376.478 1.949 0 50 GDAA Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 3373763 LMILCACUBMKRIC-JTQLQIEISA-N 379.507 1.871 0 50 GDAA COCCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O 8617906 NTVVCSJDOKAHFU-UHFFFAOYSA-N 385.424 1.094 0 50 GDAA O=C(CCN1CCCO1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55569006 DGOQPXPMWVDXJC-GOSISDBHSA-N 390.503 1.966 0 50 GDAA Nn1c(CCOC(=O)c2ccccc2)nnc1CCOC(=O)c1ccccc1 22203926 MHQVQZLTYMXJEI-UHFFFAOYSA-N 380.404 1.791 0 50 GDAA CC1=C(C(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)OCCO1 20866252 XDDWLWQBRBUKSI-AWEZNQCLSA-N 390.440 1.300 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(Cc3ccco3)C(=O)C=C(C)C)nn2)CN1 67854819 NPMHAMJOENZBOK-WBVHZDCISA-N 386.456 1.015 0 50 GDAA C[C@@H]1NC(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)=NN(c2ccccc2)C1=O 120025711 IVGJFBPJBZHIIM-QWHCGFSZSA-N 397.401 1.325 0 50 GDAA O=C(NCCN1CCOCC1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 33927493 XYSWSCBQFFAFRD-LVZFUZTISA-N 379.460 1.906 0 50 GDAA CN1C(=O)C[C@H](C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)[C@H]1c1cccnc1 172117101 OLZRHABSNBSBGV-OXFYSEKESA-N 378.432 1.523 0 50 GDAA CC(C)n1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cn1 328609518 DQOOOXDCXHRJSG-OCCSQVGLSA-N 381.458 1.923 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 72117706 JKRFATPNAQEVQC-UHFFFAOYSA-N 394.497 1.270 0 50 GDAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)c1 71315196 UBNOZGCWNSLKDR-UHFFFAOYSA-N 379.420 1.782 0 50 GDAA Cc1ccnc2nc(C(=O)NCC3CCN(C(=O)c4ccccc4)CC3)nn12 152722547 JUMHARNTAVPAOL-UHFFFAOYSA-N 378.436 1.715 0 50 GDAA O=C(CO)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77456898 VXMFYCLZIMHHHF-UHFFFAOYSA-N 386.473 1.705 0 50 GDAA O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCC([C@@H]2CCOC2)CC1 364723386 NRCLDVYNOXUIGL-OAHLLOKOSA-N 387.436 1.857 0 50 GDAA CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCN4C)cn2)CC1 155187109 CRTIROCJOJXJMG-UHFFFAOYSA-N 394.479 1.864 0 50 GDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCc3nc[nH]c3[C@H]2C(=O)O)no1 72433228 ZLMQMWSGIUBXSE-AWEZNQCLSA-N 376.804 1.944 0 50 GDAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(-n2cnnc2)c1 72132902 QBJJDCQJFAPGSM-SFHVURJKSA-N 375.432 1.841 0 50 GDAA O=C(NC[C@@H](N1CCNCC1)C(F)(F)F)c1cccc(CN2CCCC2=O)c1 262096135 UTJHFFCTKPKRQH-MRXNPFEDSA-N 398.429 1.375 0 50 GDAA O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CC[C@H](N2CCNCC2)C1 262000166 GDBSFNMSLDKQQM-AWEZNQCLSA-N 386.477 1.659 0 50 GDAA O=S(=O)(CC1CC1)c1ncc(CN2CCC(CO)CC2)n1C[C@@H]1CCCO1 15062083 DFGFJQCASBHFHW-SFHVURJKSA-N 397.541 1.450 0 50 GDAA CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)s1 372622982 XKCTYKRLBRTXMC-JWXFUTCRSA-N 386.377 1.204 0 50 GDAA CC[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 242242360 XUDQRTMEVLPOOX-AWEZNQCLSA-N 396.444 1.239 0 50 GDAA COCCCN1C[C@@]2(CCCN(C(=O)c3ccc4nnnn4c3)C2)CCC1=O 77459605 GFBGYJDTDAFRPI-LJQANCHMSA-N 386.456 1.006 0 50 GDAA CN1CC(=O)N2C[C@@H](n3ccnc3-c3ccc(-c4cc[nH]n4)s3)C[C@H]2C1=O 82099959 DKCZYWHODLYUPH-AAEUAGOBSA-N 382.449 1.616 0 50 GDAA Cc1cc2c(cc1CN1CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C1)OCO2 220521239 XNINDKWZLIAWEU-KRWDZBQOSA-N 386.452 1.448 0 50 GDAA C[C@H]1Oc2ccc(NC(=O)N3CCc4nc[nH]c(=O)c4CC3)cc2N(C)C1=O 96147960 LUDMLLXXTQMVTI-LLVKDONJSA-N 383.408 1.146 0 50 GDAA COCc1noc(CN2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 95372434 YFLIBAUGXVKVPZ-HLIPFELVSA-N 394.516 1.555 0 50 GDAA COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc(C)no2)c1 95524936 HCQYHPISSPVNIW-CYBMUJFWSA-N 381.454 1.568 0 50 GDAA O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCc2[nH]cnc2C1 96131682 PUKODHDXEMRPRI-MRXNPFEDSA-N 378.429 1.287 0 50 GDAA CCCn1cnnc1CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 92027995 NYIRKGBLLMJZRA-UHFFFAOYSA-N 385.380 1.914 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)CC1 239165352 OAFVEHMMPYZIOD-QBPKDAKJSA-N 376.840 1.951 0 50 GDAA CCSc1ncc(-c2cn(C[C@H]3CCCN(S(C)(=O)=O)C3)nn2)cn1 91594817 GEOLUPMWEDUOHZ-GFCCVEGCSA-N 382.515 1.519 0 50 GDAA CC(C)NC(=O)CN1CCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 91391002 QLPNYMGBLVCJOE-UHFFFAOYSA-N 376.888 1.824 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)c1cn([C@H]3CC[C@@H](N)CC3)nn1)C2 244811716 SJVNNZLCELYHQG-BMFZPTHFSA-N 385.468 1.710 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244899867 ZRWRKELWHWGNBB-OZVIIMIRSA-N 380.491 1.946 0 50 GDAA CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@@H]1CCS(=O)(=O)C1 298338798 ZMWXMFMXJLGZNN-ZWKOTPCHSA-N 392.521 1.883 0 50 GDAA CN(C)c1ccc(C(=O)N2CCc3nn(Cc4cccnc4)c(=O)cc3C2)cc1 263617523 OFNCJQDOPPMNLT-UHFFFAOYSA-N 389.459 1.951 0 50 GDAA O=C(CCn1cncn1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 827921324 OETMEZYXHOVTTR-UHFFFAOYSA-N 375.498 1.623 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cc1 828158447 OJJITEFLRHEKBS-GOSISDBHSA-N 387.505 1.943 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)CN2CCOc3ccccc3C2)C1)c1ccon1 827928424 ULMSCINIEULRTJ-MRXNPFEDSA-N 398.463 1.538 0 50 GDAA O=C(Cn1ccnc1-c1ccccc1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565529700 APBBPQVIQMYGAG-PMACEKPBSA-N 391.475 1.697 0 50 GDAA Cc1c(C(=O)O)cc(Br)cc1S(=O)(=O)N1CCO[C@@H](C)C1 273709910 FZJKDTJBOROHBA-QMMMGPOBSA-N 378.244 1.865 0 50 GDAA CC(=O)N1CCc2c(ncn(CC(=O)N(C3CCC(C)CC3)C3CC3)c2=O)C1 275615912 RGFKGGZBHWDWEW-UHFFFAOYSA-N 386.496 1.718 0 50 GDAA CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 170617055 DIRNOKWSHZPOAB-IIMNLJJBSA-N 393.292 1.780 0 50 GDAA CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)CC2)cc1 794719239 NPSOGUOGWIALOE-INIZCTEOSA-N 382.482 1.631 0 50 GDAA CCc1nc(C)c(C(=O)N2CCC[C@@]3(CO)CN(C(=O)C4CC4)CC[C@H]23)o1 215120126 WFYWCDUSMQFWFO-YWZLYKJASA-N 375.469 1.771 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704350016 NJMFPAXMKNLKDB-QZTJIDSGSA-N 393.447 1.911 0 50 GDAA Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2NC2CCOCC2)cc1Cl 1775984350 PRZWXBVDWVIRDJ-CVEARBPZSA-N 386.901 1.312 0 50 GDAA Cc1nn(C)cc1CNCc1ccccc1OC[C@@H](O)CN1CCSCC1 11946240 OJAHBLUCERAHKC-IBGZPJMESA-N 390.553 1.807 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 12052742 ZODWXKIVOGFETQ-MRXNPFEDSA-N 378.517 1.820 0 50 GDAA CCN1C[C@@H](CN(C)c2nc3nonc3nc2NCc2ccccc2)CC1=O 12612557 WLZJJEAQKPKEEY-CQSZACIVSA-N 381.440 1.930 0 50 GDAA CCc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)o1 19299722 SLAZZZNRKPQQSM-KRWDZBQOSA-N 395.529 1.738 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccncc3F)CC(=O)N2[C@H]1c1ccccc1 1857724341 WFMQYDLZMMPLIA-QOKNQOGYSA-N 397.406 1.808 0 50 GDAA CS(=O)(=O)NCCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857730517 VGUOKABENUHXEW-IAGOWNOFSA-N 396.509 1.200 0 50 GDAA Cc1ncc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)c(C)n1 222014386 FJPQZYIWYKNDOJ-QAPCUYQASA-N 382.468 1.512 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CS(C)(=O)=O 264864428 GMBYSZMOFVLBHG-UKRRQHHQSA-N 382.482 1.239 0 50 GDAA CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CO)[C@H]2CCCOC2)cc1C 1875342061 VVLYYTBJCFPKEW-XJKSGUPXSA-N 385.486 1.666 0 50 GDAA O=S(=O)(NC1CC1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[C@@H]2Cc2ccccc2)C1 1875396301 BGATZJPSZJEPJE-XYJFISCASA-N 398.550 1.351 0 50 GDAA CC(C)(C)OC(=O)NC1(CNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)COC1 1875306036 QJJQEBFBLFIFBV-PKOBYXMFSA-N 382.457 1.518 0 50 GDAA CCn1nc2c(c1C(=O)N1CCC(CO)(NC(C)C)CC1)C[C@H](C)O[C@@H]2C 1875314488 YYYLRFPWIIZLDO-LSDHHAIUSA-N 378.517 1.890 0 50 GDAA Cn1ncc2cc(S(=O)(=O)NC(=O)C(F)(F)Cc3ccccc3)cnc21 1321130166 PDDDFIBJLBZOTR-UHFFFAOYSA-N 380.376 1.651 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c2ccc(F)cc2n1 2100554857 CWSWAHBUVOTDMN-ZFWWWQNUSA-N 387.411 1.540 0 50 GDAA O=C(N=c1cc[nH]cc1N1CCNCC1)c1nnn(Cc2ccccc2)c1Cl 2325801371 DUIPMYBYRHKWDP-UHFFFAOYSA-N 397.870 1.459 0 50 GDAA C[C@H](C(=O)N[C@H](C(=O)O)[C@@H](O)c1cccnc1)c1cc2ccccc2nc1O 2325851772 IVIRSYYNOJWPPM-GOPGUHFVSA-N 381.388 1.742 0 50 GDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)CC1 793292 ZKUARADPIYAIJY-CQSZACIVSA-N 382.482 1.643 0 50 GDAA O=C(COCc1nc2ccccc2[nH]1)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356153490 JESXILHFVZZQCE-RXVVDRJESA-N 381.432 1.561 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc3ccccc3n(C)c2=O)C1=O 2356162929 UJHOXJWQQBTYBS-JOCHJYFZSA-N 397.475 1.782 0 50 GDAA O=C1C[C@@H](Cc2ccc(C(=O)NCCC(=O)OC3CCCCC3)cc2)C(=O)N1 225761407 RSPKNSKYUDUGEC-MRXNPFEDSA-N 386.448 1.888 0 50 GDAA COc1cc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)cc(OC)c1 104426906 CFYQUGCAYRODDK-LJQANCHMSA-N 377.529 1.667 0 50 GDAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 227527071 IMPYQINEZAXAND-UXHICEINSA-N 385.508 1.748 0 50 GDAA COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]2C(=O)O)cc1 109794700 LNEPFOFABQQXFG-ATZCPNFKSA-N 395.414 1.615 0 50 GDAA CCOC(=O)CSc1nc2ccccc2c(=O)n1CCN1CCOCC1 20643599 JEQICCMVRISTSD-UHFFFAOYSA-N 377.466 1.384 0 50 GDAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(C(C)(C)C)n[nH]3)cn2)C[C@H](C)O1 151824138 KCSTZEUEBGGGLE-STQMWFEESA-N 388.472 1.792 0 50 GDAA C[C@@H](CO)NC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77297923 IQDVLOOSYRSZQE-NSHDSACASA-N 376.800 1.444 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC1(CO)CCCC1)CO2 71730385 UJBLZZZCZJDPIC-HNNXBMFYSA-N 375.469 1.397 0 50 GDAA O=C(CN1CCC(NC(=O)N[C@H]2CCc3nc[nH]c3C2)CC1)Nc1ccccc1 367852195 ZUFBRDQBJAYBNY-KRWDZBQOSA-N 396.495 1.669 0 50 GDAA COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)NC[C@@H](C)O)c1=O 77377997 IGEZKJNZBWDTDA-OAHLLOKOSA-N 396.447 1.130 0 50 GDAA C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1nnc(-c2ccccc2)n1 126470513 QPYLPQNBJSFODD-AWEZNQCLSA-N 389.419 1.255 0 50 GDAA Cc1ccc(-n2nnnc2N2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 368571463 CFHMLEVYPSCZBC-UHFFFAOYSA-N 384.465 1.757 0 50 GDAA COCCOCCOCCS(=O)(=O)N1CCCN2c3ccccc3C[C@H]2C1 377821552 POBFKPMDHGVKBD-SFHVURJKSA-N 398.525 1.133 0 50 GDAA C[C@@H]1CCO[C@H]1C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 157996847 IELJBQQVPSAZEW-FZKQIMNGSA-N 387.436 1.971 0 50 GDAA CCOc1ncccc1C(=O)N1CC2(CCN(C(C)=O)CC2)C[C@@H]1C(=O)O 72421434 DHGLLLXUEYNFSB-OAHLLOKOSA-N 375.425 1.408 0 50 GDAA Cc1nccn1-c1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1CC(C)C 72148869 WTGZWZDHZXBDCF-LJQANCHMSA-N 383.496 1.643 0 50 GDAA Cc1c(C(=O)N[C@]2(C(=O)O)CCSC2)nnn1-c1cccc2cnccc12 262907463 HBHNBYCRYLEJGS-GOSISDBHSA-N 383.433 1.814 0 50 GDAA OCc1csc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1 71751178 SODAIVYIMXSBJR-QZTJIDSGSA-N 392.500 1.536 0 50 GDAA Cn1nccc1[C@H]1CCCCN1C(=O)NCc1ccccc1S(N)(=O)=O 287985176 NZLQCMCMJWULEN-OAHLLOKOSA-N 377.470 1.504 0 50 GDAA Cc1cccc(CNCCNC(=O)C(=O)NCCNCc2cccc(C)c2)c1 221642009 YWIGSCZPWXUSMP-UHFFFAOYSA-N 382.508 1.415 0 50 GDAA O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(CCOCCO)CC1 426707275 UYDQXRYWQRCWDP-UHFFFAOYSA-N 376.284 1.830 0 50 GDAA O=C(NCCN1CCCOC1=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223236355 NENBTOJIYROGHF-GFCCVEGCSA-N 386.374 1.885 0 50 GDAA CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C[C@]12CCNC(=O)CC2 95376146 RQTMGNPTICCHFH-FQEVSTJZSA-N 385.443 1.642 0 50 GDAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)o1 95509906 KRTZRQSSQWAFFK-INIZCTEOSA-N 375.469 1.845 0 50 GDAA NC(=O)c1ccc2[nH]c(CN3CCC(O)(CN4CCCC4)CC3)cc(=O)c2c1 91326577 IXOUDBAIEKMENX-UHFFFAOYSA-N 384.480 1.050 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H](C)n2cncn2)CC3)cn1 91381941 DWCNDFPSTNGGHU-MRXNPFEDSA-N 397.483 1.369 0 50 GDAA COc1ccc(/C=C/CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 299759347 GJVHKVMEBRRVMW-ONEGZZNKSA-N 376.482 1.470 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)C1=O 299779309 VACMSXCBDTYUKP-UHFFFAOYSA-N 380.408 1.037 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)NCCc2nc(-c3cccnc3)no2)c1C 670468131 KGMCCSHMFQFIRE-UHFFFAOYSA-N 382.424 1.897 0 50 GDAA O=C(Cn1cnc2sccc2c1=O)N[C@@H]1C[C@]2(CCNC2)Oc2ccccc21 1342235622 QIYZTMQPGMHQTQ-QRWLVFNGSA-N 396.472 1.830 0 50 GDAA Nc1nc2c(c(C(=O)N3CCc4nc[nH]c4[C@H]3c3ccncc3)n1)CCCC2 952965638 FOPKWHXDPMBAQS-GOSISDBHSA-N 375.436 1.844 0 50 GDAA O=C(Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1)NC1CC1 952965206 QTPSXHJBFAACSY-INIZCTEOSA-N 392.459 1.890 0 50 GDAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NS(=O)(=O)c2ccccc2)cc1 1565516879 APKLMDULQNKVII-IRXDYDNUSA-N 376.434 1.300 0 50 GDAA CCn1ccnc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1=O 271402399 VJAWNNATBJQKSA-UHFFFAOYSA-N 375.860 1.677 0 50 GDAA CCN1CCN(c2ccccc2NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 271468216 YFVHXLJMVMFCJV-UHFFFAOYSA-N 381.436 1.807 0 50 GDAA C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCCO[C@@H]3c3cnn(C)c3)ccc2O1 275272222 JJBLCLMWMIEDQX-ULFGMLNVSA-N 377.466 1.942 0 50 GDAA Cc1ccc2c(C)cc(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)nc2c1 276331499 QOCRVXKAXSKTQJ-UHFFFAOYSA-N 380.452 1.318 0 50 GDAA COc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1OCc1c(C)noc1C 408513458 PHTDGAQBTHUSIK-KRWDZBQOSA-N 390.392 1.805 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H](CO)[C@@H](O)C1 170091314 JCMDMGNFDKSDMH-NHYWBVRUSA-N 380.242 1.655 0 50 GDAA CCN(C(=O)CN1CC2(CCOCC2)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 192290038 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388.435 1.785 0 50 GDAA COc1ccc2cc([C@@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)ccc2c1 71774439 FJFORWKAJNOFTK-IBGZPJMESA-N 383.448 1.180 0 50 GDAA Cn1cc(C[C@@H]2CCN(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)cn1 363655058 AHYXOTMGPUZIBU-RDJZCZTQSA-N 395.463 1.722 0 50 GDAA Cn1ccnc1SCCNS(=O)(=O)c1cccc(C(=O)N2CCC2)c1 216409301 YXAFXSNDHVFKPW-UHFFFAOYSA-N 380.495 1.337 0 50 GDAA Cc1c(C(=O)N2CC[C@H](N3CCNCC3)C2)nnn1-c1cccc2ncccc12 262075604 PVSTWNPUEUDFAC-INIZCTEOSA-N 391.479 1.244 0 50 GDAA CCC[C@H](C)N1CC2(CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)OC1=O 72431293 AZVPKBWJGYRXPT-AWEZNQCLSA-N 376.457 1.705 0 50 GDAA COc1ccc(CN2CCN[C@@H](C(=O)NCc3cccnc3)C2)c(OC)c1C 72132997 UNEOSIHAIJPJQK-GOSISDBHSA-N 384.480 1.497 0 50 GDAA COc1cccc(CCC(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c1F 376023061 HPYOXNDQMUIJQN-HNNXBMFYSA-N 383.427 2.523 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nnc(C)s3)CC2)C1 71746581 CDGOIRFUMHDMNV-OAHLLOKOSA-N 381.546 1.286 0 50 GDAA COc1ccc2c(c1)cc(C(=O)N1CC[C@@H](N3CCN(C)CC3)[C@H](O)C1)n2C 19221657 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CCSc1nnc(NC(=O)CN2CCC[C@H](c3cc(O)ncn3)C2)s1 244840382 UMHIGYSDUAWLKJ-JTQLQIEISA-N 380.499 1.964 0 50 GDAA O=C(O)c1c(S(=O)(=O)NC[C@H]2CC[C@H](CO)CC2)sc2c1CCNC2 240517203 NWNSZYCDMCVSAD-XYPYZODXSA-N 388.511 1.169 0 50 GDAA CS(=O)(=O)N1CCc2cc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)ccc21 299348270 IWQBCNKJPOXCLY-DQYPLSBCSA-N 392.477 1.867 0 50 GDAA C[C@@]1(c2ccc(C(=O)N(CC(=O)O)Cc3ccccc3)cc2)NC(=O)NC1=O 299744195 NWCDOSLQWNRXQV-FQEVSTJZSA-N 381.388 1.468 0 50 GDAA O=C(NC[C@@]1(O)CCCNC1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 828014964 VHKYUTJINSYDSS-LJQANCHMSA-N 382.455 1.343 0 50 GDAA COCCN1CC[C@H](CNS(=O)(=O)c2ccc(OC)c3c2CCCC3)C1 670473081 SNSLJUUOJCCHOP-OAHLLOKOSA-N 382.526 1.821 0 50 GDAA CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 48269448 TUCDGMORBSVBIU-UHFFFAOYSA-N 398.872 1.751 0 50 GDAA in-vitro COc1c(Br)cccc1C(=O)NCc1nnc2n1CCN(C)C2=O 1352724368 GJNCDJFVNUOOTK-UHFFFAOYSA-N 394.229 1.065 0 50 GDAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(Cc2cccnc2)C1 952872851 QIZFPSCBGDSRBE-FQEVSTJZSA-N 389.459 1.991 0 50 GDAA C[C@H](c1cccnc1)N(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 952872329 OYRCFUHEBHRRHK-GFCCVEGCSA-N 388.449 1.014 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCC(c3nnc(CO)n3C)CC2)cc1OC 1529111278 UUBVUTHOICWOPJ-QGZVFWFLSA-N 390.440 1.330 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)n1 1529158993 LZJOLFNDPURDCD-GOSISDBHSA-N 395.507 1.955 0 50 GDAA CC(C)Oc1cc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc(N)n1 1529093948 BVTIVYFRLSQILS-UHFFFAOYSA-N 398.533 1.089 0 50 GDAA CN(Cc1cccc(OCCN2CCOCC2)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297688 VERDHJHWKBURNH-HSALFYBXSA-N 387.524 1.744 0 50 GDAA Cn1cc(CCCNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)cn1 1772817035 FQXQTNXRIOINCJ-HNNXBMFYSA-N 389.525 1.567 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@]2(CO)C1 1772703338 MTFKQXXJKBLCLB-DENIHFKCSA-N 392.507 1.532 0 50 GDAA O=C(c1ccc(OC(F)F)cc1)N1C[C@H]2COC[C@@H]1CN(Cc1cnc[nH]1)C2 1772705161 QVDCSIGMVPSYMW-BBRMVZONSA-N 392.406 1.984 0 50 GDAA O=C(c1ccc2c[nH]nc2n1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1775984380 RJJCXDYCGKVQGW-UHFFFAOYSA-N 383.359 1.791 0 50 GDAA c1cncc(CO[C@@H]2CCCN(c3nc4nonc4nc3N3CCOCC3)C2)c1 12308124 FWWWQAVEOSFJQN-OAHLLOKOSA-N 397.439 1.430 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC(C)(C)OC)c1 12475750 ZTBWPYPYBOGNBI-GOSISDBHSA-N 396.528 1.406 0 50 GDAA Cc1c(NC(=S)NCCN2CCOCC2)c(=O)n(-c2ccccc2)n1C 19901489 OFPNMWJBEOBALP-UHFFFAOYSA-N 375.498 1.103 0 50 GDAA COc1ccc([C@H]2NC(=O)N(CC(=O)N3CCC(C)CC3)C3=C2C(=O)OC3)cc1 169760831 LZWUDBQBHCAQCO-LJQANCHMSA-N 399.447 1.831 0 50 GDAA O=C(N[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1O)c1ccc(-c2ccccc2)cc1 1857680387 LXRWOIMLUXYXGZ-RTBURBONSA-N 391.431 1.477 0 50 GDAA NCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N[C@@H]3C=CCCC3)sc12 1857682973 SNNIAELTKLXREP-OAHLLOKOSA-N 389.521 1.936 0 50 GDAA CCCCN1CCOC2(CCN(C(=O)c3cc(=O)cc(C)o3)CC2)CC1=O 1857686186 LEYALKHLMLVIAN-UHFFFAOYSA-N 376.453 1.972 0 50 GDAA CCCc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CCOC)C3)C2)nc1 1857698801 IRTHLVWOUZDAOH-XLIONFOSSA-N 376.501 1.645 0 50 GDAA CCn1nccc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857721128 AFQSIEUILPLVAR-SFTDATJTSA-N 398.507 1.942 0 50 GDAA CN=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4occc4C)[C@H]4CC[C@]3(C2)O4)[nH]1 1857732733 DMSFKHOGRGSPEW-LYKCQVCGSA-N 383.452 1.255 0 50 GDAA CN1Cc2ccc(CN(C)C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)cc2C1 219167298 SBSMWKHJRHHMQV-OAQYLSRUSA-N 387.480 1.884 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CCN1 237644369 LCNRPKGMNIVNTG-VIFPVBQESA-N 377.260 1.203 0 50 GDAA CCCN1C(=O)CC[C@H](C(=O)N2[C@H]3CC[C@@H]2CCN(C)C3)[C@H]1c1cncn1C 1875278595 NPCCKOUOWRMYPE-YLAKUSLOSA-N 387.528 1.805 0 50 GDAA CN(C)C(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc3c(c1)CCN3C)C2 1875394552 MRNLFEDHMAXCKC-USXIJHARSA-N 380.448 1.997 0 50 GDAA NS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]2[C@H]2CCOC2)c1 1875392261 PYVGAESQGWIMSV-TVQRCGJNSA-N 389.271 1.348 0 50 GDAA COCCn1nc2c(c1C(=O)N1CCC(C3(O)CC3)CC1)C[C@H](C)O[C@@H]2C 1875316040 RQMDTJZQYSHWEP-UONOGXRCSA-N 377.485 1.929 0 50 GDAA CC[C@H](CC(F)F)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 1775992004 NVKLIHNYRHHMCF-KGLIPLIRSA-N 398.454 1.858 0 50 GDAA CC(=O)c1csc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 2325719605 KZIVLBRCOLGBCZ-UHFFFAOYSA-N 380.813 1.234 0 50 GDAA Cn1nnc(C(=O)N[C@@H]2C=CCN(C(=O)C3=CCCCO3)C2)c1C(F)(F)F 2325828720 PIGPDLNJZCJTLV-SNVBAGLBSA-N 385.346 1.025 0 50 GDAA NC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 2913460 RMYHOACGSBAJRL-VMPITWQZSA-N 394.434 1.163 0 50 GDAA CCCn1nc(N(C[C@H]2Cc3c(C)nc(C)nc3O2)S(C)(=O)=O)cc1C 2356155871 MJTPUWFDHVCLHT-CQSZACIVSA-N 379.486 1.778 0 50 GDAA O=C(NCC(=O)N1CCc2nc(-c3ccccc3)nn2CC1)c1ccccc1 2356164724 DSLSNSIIMQZFAS-UHFFFAOYSA-N 375.432 1.760 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC(c4cc[nH]c(=N)n4)CC3)cn12 2356167885 HPAABDHMCSGZPH-QGZVFWFLSA-N 395.467 1.641 0 50 GDAA COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccn3)=C2)c1 20219987 GRYWMHZYUZERSX-UHFFFAOYSA-N 386.433 1.270 0 50 GDAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)CC[C@H]1NC(=O)NC1=O 65375895 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363478491 LWIQYXCUXFNFQZ-AWEZNQCLSA-N 392.427 1.969 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccccc1C 363824779 PIBJOXWMBVOMSL-LJQANCHMSA-N 381.432 1.433 0 50 GDAA C[C@@H]1CN(C(=O)NCCN2C(=O)c3ccccc3C2=O)C[C@@]2(CCO[C@@H]2C)O1 364809827 KHTKIOUEAOFGLF-ARGWCVDVSA-N 387.436 1.261 0 50 GDAA Cc1nc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)no1 71736272 QZYPVRJKYTZQOK-MRXNPFEDSA-N 384.484 1.770 0 50 GDAA CNC(=O)c1cc(NC(=O)NCc2noc([C@H]3CCCO3)n2)ccc1OC 426707147 FWBQNADDYGJZMV-CYBMUJFWSA-N 375.385 1.611 0 50 GDAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 96138997 OMPAYMCIJXNSEM-SECBINFHSA-N 386.865 1.872 0 50 GDAA Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C2CCCC2)cc1 426477933 BUUODWCUWNAKEC-KRWDZBQOSA-N 382.464 1.881 0 50 GDAA OCCn1ccc([C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n1 426489734 XZMAGUILWULMBZ-OAHLLOKOSA-N 377.514 1.548 0 50 GDAA CNc1nc(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 95502912 RCIQHEXMWXTGJW-SJORKVTESA-N 392.550 1.668 0 50 GDAA CCCc1noc(CN(C)C(=O)[C@@]23CNC[C@@H]2CN(Cc2ccccc2)C3)n1 96164716 PMUVGRIEQYWONJ-DYESRHJHSA-N 383.496 1.702 0 50 GDAA CN(C)[C@H]1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1CCCO 91563428 FAZSVRSSSRXIDO-AEFFLSMTSA-N 382.526 1.184 0 50 GDAA Cc1ccc(-n2cnnc2)cc1NC(=O)NC1CCN(S(C)(=O)=O)CC1 95508800 LWFBBKAVRCLIGL-UHFFFAOYSA-N 378.458 1.121 0 50 GDAA COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(OC)c1 239025356 BMRXZYSNMYNZPM-GCQCLRAASA-N 382.416 1.695 0 50 GDAA COC(=O)[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(OC)c(OC)c1 245253900 REBRKENGHBZAID-WOSRLPQWSA-N 379.409 1.925 0 50 GDAA COc1cc(NC(=O)CCN2CCC[C@]3(C2)CN(C)C(=O)O3)cc(OC)c1 244724412 MTKQMJKPFQEGHC-LJQANCHMSA-N 377.441 1.949 0 50 GDAA CC[C@@](C)(CC(=O)O)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 299747654 DOFFHBWJWDFFNC-BUXKBTBVSA-N 378.425 1.816 0 50 GDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 534638331 LMEWMTCPUGELNF-CYBMUJFWSA-N 382.424 1.176 0 50 GDAA C[C@H](COc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)cn2CC1 1940198342 HJCLMHNZZZIGET-QGZVFWFLSA-N 384.480 1.681 0 50 GDAA O=C(CN1CCOC1=O)NC[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 952977050 IZBGJPKMXCJGEH-OAHLLOKOSA-N 399.451 1.517 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1C(=O)O 273771662 RARMECKWLGDCAT-UHFFFAOYSA-N 389.477 1.849 0 50 GDAA CN(C)C(=O)c1cccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 278290297 HMZBYKZFEBHGKN-UHFFFAOYSA-N 393.451 1.813 0 50 GDAA CCCNS(=O)(=O)c1ccc(/C=C/C(=O)OCc2ccc[n+]([O-])c2)cc1 170609330 YLCLKKUJDBXOQH-JXMROGBWSA-N 376.434 1.765 0 50 GDAA O=S(=O)(N=c1cc[nH]cc1)c1ccccc1S(=O)(=O)NCc1ccco1 408514343 RGXGXWDEQBKRLB-UHFFFAOYSA-N 393.446 1.376 0 50 GDAA O=C(O)COc1ccc(-c2ccccn2)cc1CN[C@@H]1CCS(=O)(=O)C1 1506426966 UKKKSMGRAVMQJO-OAHLLOKOSA-N 376.434 1.489 0 50 GDAA COc1ccccc1OCc1nc(CCCNC(C)=O)n(-c2ccnn2C)n1 1772815848 ZUGNZBVLTZVAQJ-UHFFFAOYSA-N 384.440 1.657 0 50 GDAA COc1ccc(CC(=O)N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)cc1 1772704105 GDPXAAIQCNOYSO-UHFFFAOYSA-N 395.463 1.599 0 50 GDAA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC(N)=O)NC(=S)N1 5064002 LZIFUXXYUOUYBW-MRXNPFEDSA-N 377.466 1.687 0 50 GDAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(N4CCOCC4)cc3)C2)CC1 11667747 XLJVSGQDQLYNEQ-IBGZPJMESA-N 386.540 1.812 0 50 GDAA COc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 11814344 LYOMBVGRHSJAIQ-FQEVSTJZSA-N 393.487 1.669 0 50 GDAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)cc1C 14744703 RPCGXKYLHXCHTF-LEWJYISDSA-N 393.487 1.763 0 50 GDAA Cc1cnc(CN(C)C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)[nH]1 15063384 AKTRLODVQLPHHX-IBGZPJMESA-N 378.423 1.982 0 50 GDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)c3csnn3)C2)c1 15074349 YARUJTYOKCJJTQ-LBPRGKRZSA-N 390.465 1.838 0 50 GDAA COc1ccc(CN2CCC(N3CCN(CCO)CC3)CC2)c(OC)c1OC 19868430 OOEOTXHJEUXYCK-UHFFFAOYSA-N 393.528 1.287 0 50 GDAA CNC(=O)Cc1nc(-c2cccc3nn[nH]c23)n(Cc2ccccc2OC)n1 1857668289 ACCJLWMSPMJKNA-UHFFFAOYSA-N 377.408 1.562 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)c1cc(-n2cnnn2)n[nH]1 1857676582 UPBPOUBDZFGCHW-UHFFFAOYSA-N 381.375 1.257 0 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Cc1ccc(CN2CC[C@]3(O)CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)cc1C 247944725 JLJRLINHXXHZQG-OALUTQOASA-N 381.542 1.369 0 50 GDAA CO[C@@H]1CCN(C(=O)C[C@@]2(C(=O)N3CC[C@@H](OC)C3)CCc3ccccc32)C1 900954152 IZPYWMHGLVUINH-HMFYCAOWSA-N 386.492 1.755 0 50 GDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccc(F)cc3Cl)C[C@@H]12 1704305006 OFQDMQGIQUOKON-HZPDHXFCSA-N 376.881 1.946 0 50 GDAA Cn1nnnc1CN1CCC2(CC1)C[C@@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 1875303193 ATHWFTMQJDUAAF-INIZCTEOSA-N 383.431 1.615 0 50 GDAA COc1ccsc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 1875314975 CIQIWUADOTUSPG-LLVKDONJSA-N 376.438 1.170 0 50 GDAA CC(C)c1ccc(CNC(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cc1 1875393999 XNAYCLQXHRUEMH-SFHVURJKSA-N 390.509 1.719 0 50 GDAA C=CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C)C1 1875371380 YPLASYXPVLQNME-KBPBESRZSA-N 375.856 1.938 0 50 GDAA Cn1c(=O)c2ccccc2n2c(CN3CCC[C@@H]3CNC(=O)C3CCC3)nnc12 1875333327 OQGHCTTXXSHSPZ-OAHLLOKOSA-N 394.479 1.462 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)ccc21 1875371563 FTTUWWKTJKPOKR-MRXNPFEDSA-N 391.493 1.258 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3cnn4c3CCC4)C2)c1C 1875397698 KVELTJYLFQBSFK-HZPDHXFCSA-N 397.527 1.867 0 50 GDAA Cc1c(C(=O)Nc2ccc3c(c2)COB3O)nnn1-c1cccc2cccnc12 1776002901 LHQBWYCDJZFJQY-UHFFFAOYSA-N 385.192 1.594 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccc(-n2ccnc2)nc1 2325785890 SDEUBXWUVIVBPZ-DAXOMENPSA-N 386.843 1.687 0 50 GDAA O=C(c1n[nH]c2ccc(C(F)(F)F)cc12)N1C[C@]23CCC[C@@]2(C1)C(=O)NC3=O 2325805134 RCFAAIJIISFIPW-CALCHBBNSA-N 392.337 1.851 0 50 GDAA O=C(C[C@@H]1COC(=O)C1)N[C@H]1CC2(CN(Cc3cccc(F)c3)C2)n2ccnc21 2332238056 XCYKKXINVZBKAX-RDJZCZTQSA-N 398.438 1.748 0 50 GDAA Cc1nnc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)s1 2813269 ZWRYOTXWCOLVED-UHFFFAOYSA-N 377.411 1.282 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc2c(c1)OCO2 4090250 HSXXKYCRIUTPKT-VIPLHTEESA-N 392.404 1.581 0 50 GDAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(C3CCCCC3)CC2)cc1 4750563 MFMUWBQOBJKICC-UHFFFAOYSA-N 382.555 1.981 0 50 GDAA COCCCNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55132909 XTAKZNYJWGQEIO-UHFFFAOYSA-N 376.432 1.902 0 50 GDAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 248287951 HDSZBUPBDPSKAN-ROUUACIJSA-N 395.525 1.370 0 50 GDAA O=C(NCCc1nnc2n1CCNCC2)[C@]1(c2ccccc2)CC12CCCC2 67675677 YKLKFKJZUQQEIB-JOCHJYFZSA-N 379.508 1.985 0 50 GDAA CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 65362920 YRQWAXHFNQUUJI-GFCCVEGCSA-N 398.510 1.818 0 50 GDAA Cc1ccc(S(=O)(=O)NOCONS(=O)(=O)c2ccc(C)cc2)cc1 22205545 CMVQXCRFRIZHEB-UHFFFAOYSA-N 386.451 1.381 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cn4c(n3)CCCC4)ccc21 328627368 MSUCZWQXKHGCQB-UHFFFAOYSA-N 388.493 1.949 0 50 GDAA O=S(=O)(Cc1ccc(F)cc1F)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 328611062 KFSCUKIZJAYBPU-INIZCTEOSA-N 385.392 1.649 0 50 GDAA CN1CC(=O)N(CC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)C1=O 328815198 GNMKLRXGVHUMCV-UHFFFAOYSA-N 382.424 1.072 0 50 GDAA NCCn1cc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)nn1 77522807 LYTZZOIPPFNLQN-UHFFFAOYSA-N 379.468 1.571 0 50 GDAA Cn1c2c(cc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)c1=O)CCCC2 72433339 PMQPUQFZHYMPBX-UHFFFAOYSA-N 384.436 1.134 0 50 GDAA CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@@H]1Cn1cncn1 363783187 JDKDTEHENWVQRN-QGZVFWFLSA-N 387.484 1.808 0 50 GDAA NC(=O)Cn1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1 446315621 LLYOTCBYNFFXLU-UHFFFAOYSA-N 383.437 1.989 0 50 GDAA CCc1cnc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)s1 175470668 UCMJEUALGXRWER-UHFFFAOYSA-N 380.451 1.056 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@H]1c1nnc2n1CCCC2 176450556 KOPACWKZLGAGND-KRWDZBQOSA-N 392.467 1.886 0 50 GDAA CCC(=O)N1CCCC[C@H](NS(=O)(=O)c2ccc(-n3cccn3)cc2)C1 82138424 LAXZSOQZZCQQPS-HNNXBMFYSA-N 376.482 1.942 0 50 GDAA COc1ccc2c(c1)[C@@H](C(=O)NCCc1nc(-c3ccccn3)no1)CC(=O)N2 91350768 WMINBTIPNLBWFR-AWEZNQCLSA-N 393.403 1.925 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)Cc1ccccc1)CCN2C 95381198 XSPIGKMTBYHRPP-IBGZPJMESA-N 379.526 1.535 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccccc1OC(F)F)CC2 95374597 OUYRZPCIGTUXRZ-GFCCVEGCSA-N 382.363 1.826 0 50 GDAA COCCOCC(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91663454 DZAMAUDGXIFXDJ-UHFFFAOYSA-N 390.484 1.179 0 50 GDAA CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCNC3=O)c2)cc1 97681791 KYVBQJOVWICLTN-KRWDZBQOSA-N 387.461 1.668 0 50 GDAA O[C@H](COc1ccc(CN2CC(N3CCOCC3)C2)cc1)CN1CCCCC1 95527170 AOJJCDCKNHEBSQ-NRFANRHFSA-N 389.540 1.429 0 50 GDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)C1 95376728 CINBUEBTIWECCN-INIZCTEOSA-N 393.919 1.773 0 50 GDAA COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@@H](O)CN1CCCC1 95516626 AKTOPHSXLPZGDL-SFHVURJKSA-N 391.512 1.228 0 50 GDAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccccc21 263587932 NCIYFUXGCQFZCD-INIZCTEOSA-N 380.404 1.861 0 50 GDAA Cc1nonc1OCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940193533 PIFXZQUBRWFYEX-UHFFFAOYSA-N 384.392 1.465 0 50 GDAA O=C(c1cn2c(n1)CCN(C[C@@H]1CCOC1)CC2)N1CCOc2ccccc2C1 1940196042 GAQDXDHITGCGBT-KRWDZBQOSA-N 396.491 1.813 0 50 GDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 584903822 NWJLDNBRXBIVHJ-OAHLLOKOSA-N 394.439 1.732 0 50 GDAA COc1cc(F)c(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)c(F)c1 1565515193 YHGMNUDLGCPKLK-GJZGRUSLSA-N 383.420 1.795 0 50 GDAA CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 268080301 VECVZLGGAZMEEG-LBPRGKRZSA-N 390.425 1.008 0 50 GDAA CS(=O)(=O)c1csc(C(=O)NCCN2CCc3ccccc3C2=O)c1 190147564 JSXSMJJIVJCCBC-UHFFFAOYSA-N 378.475 1.580 0 50 GDAA O=C(c1ccc(=O)[nH]n1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 193197419 AEOQTSUPEKESPZ-UHFFFAOYSA-N 399.451 1.991 0 50 GDAA Cc1nn2c(NC(=O)CN3C[C@@H](c4ccccc4)CC3=O)csc2nc1=O 1529178560 NOQKJIABBKRKDV-ZDUSSCGKSA-N 383.433 1.414 0 50 GDAA Cc1nn(C)cc1CNCc1ccccc1OC[C@H](O)CN1CCSCC1 11946248 OJAHBLUCERAHKC-LJQANCHMSA-N 390.553 1.807 0 50 GDAA CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1 12036373 RFHBMYJKTYACML-CQSZACIVSA-N 396.495 1.882 0 50 GDAA Cc1cccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c1 14536136 AVULGNVNGKFKKH-VQTJNVASSA-N 379.460 1.455 0 50 GDAA CO[C@H]1CN(C(=O)COc2ccc(C)cc2)CC(=O)N(Cc2cccnc2)C1 14541759 VCDDOOCKZSOJPJ-LJQANCHMSA-N 383.448 1.655 0 50 GDAA CC(C)c1nc2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2o1 19791289 HVIQSQKXMFNFAT-OAHLLOKOSA-N 391.493 1.896 0 50 GDAA Cc1noc(-c2cn(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)n1 169777311 FWNREZOASRLQMH-UHFFFAOYSA-N 382.380 1.843 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)N2CCCC2)C[C@@H]1O)c1ccc(-n2ccnc2)cc1 1857690367 IZLJDSJHQBYXEP-WDSOQIARSA-N 382.464 1.754 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3cccc(CO)c3)CC2=O)s1 1857715887 MWHWGWVGFMGULE-AWEZNQCLSA-N 390.465 1.236 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2n[nH]cc2Cl)cn1 1857723160 VSWUQPNVWHCETP-RDJZCZTQSA-N 392.891 1.865 0 50 GDAA C[C@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)N1CCN(C)CC1 1857728749 BKLIKORCIMNTAC-QGZVFWFLSA-N 381.524 1.650 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cc(C)no3)CC(=O)N2[C@H]1c1ccccc1 1857733708 VOKVHMVIPSLVBL-KNBMTAEXSA-N 397.431 1.499 0 50 GDAA CCc1cc(S(=O)(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)ccc1OC 1857739414 SFQZMEOVVTVCQM-ONCXSQPRSA-N 394.537 1.987 0 50 GDAA COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)cc1OCC(N)=O 360107669 LXIBHKDTSLWMND-KRWDZBQOSA-N 397.431 1.471 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cccnc1-n1cccn1 1875403260 RNJJNPUSWNVEBK-APHBMKBZSA-N 386.843 1.687 0 50 GDAA CCC[C@H](OC)C(=O)N1CCC2(CC1)CN(C(=O)Cc1[nH]cnc1C)CCO2 1775986834 ITERYQXITFBPDE-KRWDZBQOSA-N 392.500 1.296 0 50 GDAA CCOC(=O)c1nc(N2CCC(NS(C)(=O)=O)CC2)c2ccccc2n1 1776002206 LRFQPPJLVXPKLC-UHFFFAOYSA-N 378.454 1.325 0 50 GDAA CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1058231 BBMAJIYYONEDCQ-UHFFFAOYSA-N 375.406 1.400 0 50 GDAA Cn1nnc2cc(C(=O)NCC3(NC(=O)[C@@H]4CCOC4)CCCCCC3)ccc21 2325809022 VMSNAXZCKZNGCG-MRXNPFEDSA-N 399.495 1.944 0 50 GDAA COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 3017531 WFVHNRABLLGJOM-LBPRGKRZSA-N 392.433 1.787 0 50 GDAA O=C(NCc1cn2ccncc2n1)c1cc2c(s1)CCOC21CCNCC1 2356137990 DKJWGWDNNQHBKR-UHFFFAOYSA-N 383.477 1.872 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@@H](c2nnnn2C)C1 2356140207 YMZJPLZQHVJBFM-QGZVFWFLSA-N 381.440 1.155 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC[C@@H]1O 2356149238 QARHHIASDSNJLU-OXJNMPFZSA-N 395.452 1.719 0 50 GDAA Cn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6698375 JOSKVMAPRQVJKR-UHFFFAOYSA-N 386.836 1.359 0 50 GDAA Cc1c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)sc2ncn(C)c(=O)c12 225422831 BQOWWMIROJFHTF-VIFPVBQESA-N 380.470 1.946 0 50 GDAA O=C1CCc2cc(OC[C@@H](O)CN3CC[C@](CO)(c4ccccc4)C3)ccc2N1 419269362 BLJCBXBBANHBII-CVDCTZTESA-N 396.487 1.947 0 50 GDAA C[C@@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1 23129399 SWFFTPOWRPFQCI-GUYCJALGSA-N 386.427 1.423 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(C)c(NC(=O)C2CCCC2)c1 67540445 MAEOTJSTTSLGIG-WMZOPIPTSA-N 386.496 1.802 0 50 GDAA C[C@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1n[nH]c(=O)[nH]1 72129423 OZHVSJCOXLOFHM-QMMMGPOBSA-N 381.318 1.248 0 50 GDAA COc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71711878 IGWZDYMWNUBKNY-MRXNPFEDSA-N 389.500 1.025 0 50 GDAA NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 30758151 WCLGKGIACWMZSD-GFCCVEGCSA-N 393.490 1.886 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)ccc1F 432863204 CQQODUPLRDQXEC-NSHDSACASA-N 382.421 1.008 0 50 GDAA COc1ccccc1S(=O)(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1 377155700 STDKOCVUIDOZAQ-UHFFFAOYSA-N 391.449 1.736 0 50 GDAA Cc1nc([C@H](NC(=O)c2n[nH]c3c2CNCC3)c2ccc3c(c2)OCCO3)no1 372902587 MNYSWWMXTRPEPR-MRXNPFEDSA-N 396.407 1.037 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](Cc1ccccc1)C(=O)O 237781657 BXCNVVYMSHBWRD-MRXNPFEDSA-N 381.436 1.733 0 50 GDAA Cc1c(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cnn1C 71764519 SNFPJBKONOEPPS-QGZVFWFLSA-N 387.528 1.458 0 50 GDAA C[C@@H](O)CN1CCC(CN(C)C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 130393121 DHAVRLFROHODJP-CYBMUJFWSA-N 377.460 1.875 0 50 GDAA CCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1 82230522 KCFJOPVASLHNAK-UHFFFAOYSA-N 378.502 1.449 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 20028707 FNGYLKVRZFQKIU-GOSISDBHSA-N 379.526 1.311 0 50 GDAA O=C(C1CCS(=O)(=O)CC1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 95354845 ZTKBWRKVEDOEGF-MAUKXSAKSA-N 377.510 1.329 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCCN(C(C)=O)CC2)cc1 265105547 GASYLWZSQIKHPT-UHFFFAOYSA-N 381.498 1.363 0 50 GDAA O=C(CCc1nc(-c2ccncc2)no1)NCCc1noc(C(F)(F)F)n1 426727522 RBMFPIGOJAJGSZ-UHFFFAOYSA-N 382.302 1.825 0 50 GDAA Cn1nc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)ccc1=O 95530090 PTYOEMLLEDZDOH-INIZCTEOSA-N 378.436 1.440 0 50 GDAA C[C@@H](Cn1cncn1)NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 95371346 GWVQUUPXHZXAPB-ZDUSSCGKSA-N 377.470 1.318 0 50 GDAA CC(=O)NC[C@H]1CCC2(CCN(C(=O)c3c[nH]c(=O)c4ccccc34)CC2)O1 97463509 OXSWEHCODDDWFW-OAHLLOKOSA-N 383.448 1.818 0 50 GDAA CC(=O)N[C@H](C(=O)SC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 95918256 NVEUJCXXXBMFGU-WQVCFCJDSA-N 392.477 1.835 0 50 GDAA C[C@@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1nnn[nH]1 95504349 MGBPEJVADFJMRV-GFCCVEGCSA-N 384.440 1.471 0 50 GDAA CC(C)(C)OC(=O)N1Cc2nc(I)[nH]c2C[C@@H]1C(=O)O 242498446 HFHYPRGDIWDXFP-MRVPVSSYSA-N 393.181 1.761 0 50 GDAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3cc(=NC(C)C)nc(N)[nH]3)c2)C1 534655496 NZWMXOWPCHOZDN-INIZCTEOSA-N 382.468 1.319 0 50 GDAA COC(=O)c1cn(CCS(=O)(=O)N(C)C2CCCCC2)cc2c(=O)[nH]nc1-2 263588532 VKDBIJOIMVHRDT-UHFFFAOYSA-N 396.469 1.057 0 50 GDAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3cccc(Cl)c3F)cc2C1 299763207 XTNRIVOOUORWQH-UHFFFAOYSA-N 386.836 1.381 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)CCc2c(C)nn(C)c2C)cc1 827820455 QMXIRPFJJLQTEG-UHFFFAOYSA-N 392.525 1.763 0 50 GDAA COc1cc(CN2CC[C@H](O)[C@@H](C(=O)O)C2)ccc1OCCN1CCCCC1 1529152339 JQPSMRFMCVHOOK-ROUUACIJSA-N 392.496 1.827 0 50 GDAA Cc1cccn2c(CC(=O)N3CCN(c4ncccc4C(N)=O)CC3)cnc12 952868530 BEYHWUXZGRGFCQ-UHFFFAOYSA-N 378.436 1.028 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 269178817 KSJDVNFPXAEGAJ-LLVKDONJSA-N 390.255 1.297 0 50 GDAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2cc3c(nc2O)CCCC3)N1 1506419909 MADMWZZCHXXRSW-INIZCTEOSA-N 380.448 1.982 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 1506420784 CMBBQPPSIYKYRA-ZDUSSCGKSA-N 384.477 1.827 0 50 GDAA O=C(c1ccnc(N[C@H]2CCCN(C(=O)c3ccco3)C2)c1)N1CCOCC1 1529190965 QLRWUFKYVPVKAC-INIZCTEOSA-N 384.436 1.864 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc2c(Cl)cccc2[nH]1 1704298792 JTGSSGXQQIVMAI-BONVTDFDSA-N 385.873 1.458 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N1CC3(CNC(=O)N3)C1)C2 1772811520 VEUCBCXJCIOPHI-LLVKDONJSA-N 387.465 1.414 0 50 GDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@]2(CN(C)C)C1 1772711076 WHHXJKQRSLJICV-AUUYWEPGSA-N 397.491 1.790 0 50 GDAA O[C@@H](COc1cccc(CNCCOc2cccnc2)c1)CN1CCOCC1 11662188 WHNISYXMWMKETL-LJQANCHMSA-N 387.480 1.322 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2nccn2C)C(C)C)o1 12314429 JIMPIJBFNSJSGZ-KRWDZBQOSA-N 387.484 1.449 0 50 GDAA COc1ccc(Cn2cc(C(=O)N3CCC[C@H](CN4CCCC4=O)C3)nn2)cc1 12372956 CZMULDQGBYVPSL-QGZVFWFLSA-N 397.479 1.810 0 50 GDAA Cc1n[nH]cc1-c1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2)n1 1857675165 MNYICJQCIGSHJB-UHFFFAOYSA-N 388.435 1.974 0 50 GDAA O=C(O)CCN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CCOCC1 328595108 KXJKUKMJCRKDDU-GFCCVEGCSA-N 396.390 1.800 0 50 GDAA CCn1cc(Br)c(=O)c(NS(=O)(=O)C[C@@H]2CCCCO2)c1 329847681 PIYBSGAACJRLNI-JTQLQIEISA-N 379.276 1.942 0 50 GDAA O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 330295298 JEMYZUHYEPEGGN-VXGBXAGGSA-N 381.420 1.953 0 50 GDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)c1ccnn1C)CC2 263832289 CVVLXJTYXNTQLD-ZDUSSCGKSA-N 395.437 1.200 0 50 GDAA NS(=O)(=O)CCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 163904488 WZOYOBBLDJLWBP-UHFFFAOYSA-N 389.193 1.876 0 50 GDAA O=C(NCCN1CC[C@H](O)C1)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 913351511 IVAIOJRYPUKGHH-LBPRGKRZSA-N 384.358 1.772 0 50 GDAA CN1CCC(N2CC[C@H](NC(=O)c3cncn3-c3ccc(F)cc3)C2=O)CC1 1875307324 AMCUFCPMVOYERQ-KRWDZBQOSA-N 385.443 1.436 0 50 GDAA CN(C)C[C@H](NC(=O)NC[C@H]1CCS1(=O)=O)c1cccc(C(F)(F)F)c1 1875304502 MDJLRICITUXOPC-KGLIPLIRSA-N 393.431 1.794 0 50 GDAA Cc1cc(N)n(CC(=O)NCC[C@H](C)NC(=O)[C@@]2(C)C[C@H]2C(F)(F)F)n1 1875332599 AHZFZYKEAFYZKV-ISOBSLSZSA-N 375.395 1.373 0 50 GDAA O=C1CC[C@](CNC(=O)N2CCO[C@H]3[C@@H]2[C@@H]3C(F)(F)F)(c2ccccc2)N1 1875404268 CAQBSAGLDOASQW-MPTYRVRUSA-N 383.370 1.763 0 50 GDAA CC(C)c1ccc2cc(C(=O)NC[C@]3(c4nccn4C)NC(=O)NC3=O)[nH]c2c1 1775985525 IGGRMNXNOMXSFY-HXUWFJFHSA-N 394.435 1.490 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cnccn3)CC2)c(C)c1 2325756452 AYNXOUCYOKLKGG-UHFFFAOYSA-N 389.481 1.038 0 50 GDAA Cn1c(CC2CC(O)C2)nnc1N1CCC(C(=O)Nc2nccs2)CC1 2325768140 QRTVDJMMJWGHLV-UHFFFAOYSA-N 376.486 1.440 0 50 GDAA CCCCN(C)CC1CCN(C(=O)[C@@H]2CNC(=O)CC23CCNCC3)CC1 2325774717 MDZDDHSRXSSCST-SFHVURJKSA-N 378.561 1.463 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)c1cnc2ccccc2n1 2325786012 XYUWYYVTRHTDEN-DLBZAZTESA-N 393.451 1.119 0 50 GDAA CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccnc(O)c3)C(C)(C)C2)CCN1C 2325794851 UGNJGOIYGNUSSE-BBWFWOEESA-N 388.512 1.874 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2ccc(Cl)nc2)C1 2325803186 WKAJEOSRQNDIKK-MLGOLLRUSA-N 392.868 1.781 0 50 GDAA COC(=O)[C@@H](C)OC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1 1174858 LSYFTGBSFCXFHF-LLVKDONJSA-N 389.412 1.514 0 50 GDAA COc1ccc(OC)c(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 2958888 CAJDZLUEIICPAK-UHFFFAOYSA-N 392.477 1.829 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 3105036 GCPSASJWZHPWAD-MRXNPFEDSA-N 396.509 1.700 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H]1CCCN1Cc1ccccc1 114642205 DDGWEQNHVXYQRO-SFHVURJKSA-N 383.496 1.552 0 50 GDAA Cc1ccccc1-c1noc(CN(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 67621790 AKPMUCMCWWMSEE-AWEZNQCLSA-N 392.481 1.675 0 50 GDAA Cc1ccc([C@H](CNC(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)N(C)C)cc1 136186810 MFDNIZSNPSJZTJ-ROUUACIJSA-N 396.557 1.709 0 50 GDAA O=C(O)c1c(S(=O)(=O)NCCOc2ccccc2)sc2c1CCNC2 67784370 QRMOAJICVSCHGX-UHFFFAOYSA-N 382.463 1.449 0 50 GDAA COc1ccc(-c2n[nH]c3c2CN(C(=O)c2ccc4nnnn4c2)CC3)cc1 23506964 IHDNCGVNRLQSMU-UHFFFAOYSA-N 375.392 1.722 0 50 GDAA CCn1nc(C)c(NC(=O)Cn2nc([C@@H]3CCCNC3)n(CC)c2=O)c1C 67886475 CMZDKEMAHYALDY-CQSZACIVSA-N 375.477 1.004 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1Cl 30334700 PGEBUIRNSLDBTN-AWEZNQCLSA-N 388.873 1.361 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(c4nccs4)CC3)C2)CC1 71479376 JYJNOGRMWLLNAO-INIZCTEOSA-N 377.558 1.598 0 50 GDAA CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H]2c2nc(N(C)C)no2)CC1 374538083 PQOHCCGWYRVLNV-AWEZNQCLSA-N 394.476 1.010 0 50 GDAA COc1cccc([C@H](C)C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c1 262502294 DDXPQNAGPIBQHI-ZDUSSCGKSA-N 377.466 1.674 0 50 GDAA CC(C)CN(C)CCCN1CC2(CCN(C(=O)[C@@H]3CCCN3)CC2)OC1=O 77425583 BZOZPKFWMHCKLW-KRWDZBQOSA-N 380.533 1.530 0 50 GDAA CCCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 72437589 MRVJDIMUSIWHEM-SNVBAGLBSA-N 393.560 1.497 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)cc1 195115649 QVFTVDMBOCBNIT-UHFFFAOYSA-N 379.507 1.903 0 50 GDAA Cc1nc(C2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3=O)CC2)cc(=O)[nH]1 95526412 JJQLKAGBRMOXSG-QGZVFWFLSA-N 380.448 1.837 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 95503195 FOILMFKHWLOEOT-UHFFFAOYSA-N 382.468 1.897 0 50 GDAA CN(CC(=O)N1CCOCC1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 95506073 JZUFQKXSFOWPNH-LJQANCHMSA-N 377.504 1.871 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)CN1Cc1ccncc1 95377155 FDDJKRRKWPALOM-IBGZPJMESA-N 386.496 1.001 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91713686 CYNWRSRGWYVBBP-SFHVURJKSA-N 380.514 1.593 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)c1cnn3cc(CCO)cnc13)C2 95517053 XHBXHNYBVLFVCM-CQSZACIVSA-N 382.420 1.254 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3ccccc3nc2O)c1O 253623678 FYXGLPLLKJAFFG-SNVBAGLBSA-N 383.360 1.541 0 50 GDAA biogenic O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc(=O)n(-c2ccccc2)n1 109981678 QMJWMWCMCWZCFB-UHFFFAOYSA-N 396.491 1.997 0 50 GDAA Nc1nc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc2sc3c(c12)CCCC3 1704339982 AOHHYZVOUDYKTK-IUODEOHRSA-N 396.520 1.978 0 50 GDAA O=C(CCCc1nc(-c2ccncc2)no1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704354943 JDCNSYNSMZJBSJ-MSOLQXFVSA-N 393.447 1.911 0 50 GDAA NC(=O)c1nc(CNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)no1 1772806449 AAIZSQHENVNLQO-JTQLQIEISA-N 384.421 1.108 0 50 GDAA CC(C)N1C[C@@H](OCc2ccc(F)cc2)CN(C(=O)Cn2cncn2)CC1=O 14539523 GFSUKXCQRLFSRD-KRWDZBQOSA-N 389.431 1.082 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)c(OC)c1 14972819 GDDLCERUGBLYMI-GOSISDBHSA-N 389.496 1.797 0 50 GDAA O=C(CCn1cncn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 15065162 ZNLUXLNVALFYOV-IBGZPJMESA-N 386.475 1.621 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCCn3ncc4ccccc43)CC2=O)s1 1857670255 DKWIZINKZRRKDQ-CQSZACIVSA-N 384.465 1.756 0 50 GDAA CCCNC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCCO)sc12 1857683445 UJQYYHJDRKUHBF-UHFFFAOYSA-N 381.498 1.454 0 50 GDAA COCCN1CCC2(CCc3c2nc(N(C)C)[nH]c3=NCCc2cc[nH]n2)CC1 1857686824 DLCHYHNTWWXASV-UHFFFAOYSA-N 399.543 1.268 0 50 GDAA Cn1cc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)cn1 1857708558 ACAHWWKIMDRNDI-FQEVSTJZSA-N 384.484 1.232 0 50 GDAA COC1(C(=O)N2CCC[C@@H]2C(N)=O)CCN(C/C=C/c2ccc(F)cc2)CC1 1857717068 JAKWQKZBKLKQTN-ROVVAWJSSA-N 389.471 1.796 0 50 GDAA Cc1c(C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)cnn1Cc1ccccc1 328635827 NQJQFATUBSGHKN-QGZVFWFLSA-N 386.452 1.097 0 50 GDAA Cc1noc(-c2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)o2)c1C 248026447 JPHYRTFSIHQVKM-OLZOCXBDSA-N 379.438 1.793 0 50 GDAA Cn1cc(CCNC(=O)N2CC(O)(c3cccc(Br)c3)C2)cn1 856841034 ZQJDEFRJZXSZSH-UHFFFAOYSA-N 379.258 1.638 0 50 GDAA Cc1ccc(CCCC(=O)N2CC3(C2)[C@H](C(=O)N(C)C)CCS3(=O)=O)s1 1875395674 IKJPKKDRYHQASP-HNNXBMFYSA-N 398.550 1.483 0 50 GDAA CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 1875341942 PTOUPHCCGACNEH-WRQOLXDDSA-N 378.517 1.390 0 50 GDAA Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)NC[C@@H](O)C(C)C)cc2)s1 1875339600 PXQQBSCCRCASNW-CYBMUJFWSA-N 399.498 1.786 0 50 GDAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC(C)(C)O1 1875350262 GUYLXXMPQPROMT-LLVKDONJSA-N 383.408 1.728 0 50 GDAA C[C@H](N[C@@H]1CCS(=O)(=O)C2(CC(CO)C2)C1)c1ccc(-n2cncn2)nc1 1875357224 XOHFAPUKFJXELB-DFFOAJLQSA-N 391.497 1.031 0 50 GDAA CO[C@@H]1CNCC[C@H]1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 1875315415 UGCMPJQYXSKEHJ-ZIAGYGMSSA-N 394.415 1.350 0 50 GDAA CN1CC[C@@H]2[C@@H](CCCN2c2ncnc3c2ncn3C2CC(CO)(CO)C2)C1 888097120 BKANNMHDGRGOOJ-GOEBONIOSA-N 386.500 1.053 0 50 GDAA CS(=O)(=O)NCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 2100534895 YPJSGZGCSAIINX-UHFFFAOYSA-N 395.293 1.923 0 50 GDAA COCC(=O)N=S1(=O)CCC2(CC1)CN(C(=O)Cc1ccc(C)o1)CCO2 2325785438 YQPGOWLRFXDOGP-UHFFFAOYSA-N 398.481 1.163 0 50 GDAA COC[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)[C@H](c1ccccc1F)N1CCOCC1 2325816955 YVLMPMDSVTZIDB-YDZRNGNQSA-N 396.459 1.086 0 50 GDAA O=C1CC[C@H](N2C(=O)c3ccc(C(=O)NCCC4CCCC4)cc3C2=O)C(=O)N1 2325898258 YPGNPQVVDJAJKS-INIZCTEOSA-N 397.431 1.398 0 50 GDAA Cn1cncc1C(=O)N1CC2(C[C@H](NC(=O)C[C@H]3CC=CCC3)c3nccn32)C1 2332237598 CXNAGRWTEVFFLI-HOTGVXAUSA-N 394.479 1.775 0 50 GDAA COc1cccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 889018 PKDYMMQQNJYLHH-UHFFFAOYSA-N 377.422 1.199 0 50 GDAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)nc(=N)[nH]1 2356135979 BDZCPZRXHVPUFB-NRFANRHFSA-N 395.511 1.989 0 50 GDAA O=C1N=C(O)N=C(O)[C@H]1[C@@H]1c2c([nH]c(=O)[nH]c2=O)Oc2ccc3ccccc3c21 2589377 BGTJPFFYGKFJNO-LLVKDONJSA-N 392.327 1.481 0 50 GDAA COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 3017533 WFVHNRABLLGJOM-GFCCVEGCSA-N 392.433 1.787 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)CC[C@@H]2C)cc1 225463391 VOKYYEQNHQZORO-BSEYFRJRSA-N 386.539 1.700 0 50 GDAA COCCOCCS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 225828883 VMPABOADOQAKMX-KRWDZBQOSA-N 394.578 1.173 0 50 GDAA CN(C(=O)Cn1c(=O)[nH]c2ccccc21)[C@@H]1CCN(c2ccccc2F)C1=O 112328111 VVZWCGQKJFYYKI-QGZVFWFLSA-N 382.395 1.733 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCN1CCCC1=O 55227737 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281759676 CLZSHVALZPRRKJ-GOSISDBHSA-N 388.449 1.416 0 50 GDAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)NC[C@@H](C)O)c2=O)cc1 77537088 QLCRNLDDAVKHIS-OAHLLOKOSA-N 396.447 1.130 0 50 GDAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCN(Cc2ccsc2)CC1 77376232 URIUCSRNRLOUTD-KRWDZBQOSA-N 388.541 1.830 0 50 GDAA CCCn1cc(CN2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cn1 153490184 ZAMPKJPVAGVMGF-UHFFFAOYSA-N 394.545 1.967 0 50 GDAA COc1ccc(CCN2C[C@@H](NC(=O)CCn3ccccc3=O)CC2=O)cc1 72152927 BPLHAHGUQNKSIS-KRWDZBQOSA-N 383.448 1.207 0 50 GDAA O=C1CC2(CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)CN1 77385553 XTYQZDXZETUCIU-UHFFFAOYSA-N 387.480 1.026 0 50 GDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCNC(=O)c3cccnc3)c2n1 215927312 PIBZWHJPYWMUSM-UHFFFAOYSA-N 392.341 1.611 0 50 GDAA Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1 13594501 OTWHOJSEKJXWRQ-GOSISDBHSA-N 375.517 1.387 0 50 GDAA Cc1nccn1CCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71746828 SGCSTDZKGFXTRI-GOSISDBHSA-N 387.528 1.421 0 50 GDAA COc1ccc(C(=O)[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)c(OC)c1 71762343 XIUVGQJCPYYBPK-CQSZACIVSA-N 386.452 1.971 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 287177486 OXQRSHVOIJRHJI-OAHLLOKOSA-N 392.485 1.370 0 50 GDAA O=C1CCCN1CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82115968 ZBGVDTWTVOXOQR-OAQYLSRUSA-N 384.480 1.435 0 50 GDAA O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCCNCC3)cc2)[nH]1 48159131 OVLWXFPHZRDYPV-UHFFFAOYSA-N 378.480 1.671 0 50 GDAA COc1ccccc1CNC(=O)CSc1nnc([C@H]2CCCNC2)n1C 426523273 XNVYUDDJQIVWSJ-AWEZNQCLSA-N 375.498 1.699 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1 426623197 JAHKEAOAMBSFCS-UHFFFAOYSA-N 378.454 1.041 0 50 GDAA O=C(c1cncc(N2CC[C@H](Cc3ccc(CO)cc3)C2)n1)N1CCOCC1 91860806 ZTFXFYNBZYKLBY-GOSISDBHSA-N 382.464 1.510 0 50 GDAA CC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)c(=O)[nH]c1C 95374178 VVWBGRRMDGDWSI-JKSUJKDBSA-N 397.479 1.654 0 50 GDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1c(=O)c(C)nc3ccccc31)C2 95527800 PHYQCZKLIRWKNX-JKSUJKDBSA-N 382.464 1.564 0 50 GDAA COC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(F)c1 180183964 MKWYETKEVFVRCD-KRWDZBQOSA-N 396.415 1.917 0 50 GDAA O=C(Cc1cnccn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95513201 SICLXIZXSCSFBE-MTNREXPMSA-N 392.459 1.837 0 50 GDAA CS(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O 23153606 SQLUFAULQIUGTE-SJORKVTESA-N 382.551 1.444 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)CCCn3ccnc3C)C2)CCC1=O 91651619 SNTKPPAKFNYWLT-FQEVSTJZSA-N 376.501 1.849 0 50 GDAA O=C1C[C@@H](NC(=O)Cn2nnnc2CN2CCCCCC2)c2ccccc2N1 95522272 BSXQUKLWSNLMCT-MRXNPFEDSA-N 383.456 1.249 0 50 GDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H]1COc2ccccc2C1 91636237 AOYRCRFAJMBIHE-INIZCTEOSA-N 381.480 1.518 0 50 GDAA Cn1ncnc1CCNC(=O)c1cccc(-c2nccnc2N2CCCC2)c1 299794444 IWKPHZJUDACRMN-UHFFFAOYSA-N 377.452 1.845 0 50 GDAA COc1cc(NC(=O)[C@H](c2cccnc2)N2CCOCC2)cc(-n2cnnn2)c1 824583263 KLZONXUEGRFIMN-SFHVURJKSA-N 395.423 1.078 0 50 GDAA NC(=O)c1csc(S(=O)(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 826849016 YGQVFKVDIIBLMN-LBPRGKRZSA-N 385.536 1.851 0 50 GDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)s1 670455610 LRWMCOUGEDWWDD-SNVBAGLBSA-N 376.481 1.485 0 50 GDAA COc1cccc(N2CCC(N3CCN(c4ncccc4C(N)=O)CC3)CC2)c1 952988738 OZNIIAHPGWEBPO-UHFFFAOYSA-N 395.507 1.980 0 50 GDAA CC(C)c1nc(C(=O)N2CCc3n[nH]c(=O)cc3C2)nn1-c1ccccc1F 274916548 YWRBUMRSZDKIOT-UHFFFAOYSA-N 382.399 1.812 0 50 GDAA COc1cc(N2CCN(C(=O)c3nn(-c4ccccc4)cc3C)CC2)ncn1 186743054 WPCZTNBLBRZFBM-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)cnc1C 408362018 LAWNDUGUCFKSCE-YVEFUNNKSA-N 384.454 1.135 0 50 GDAA Cn1nccc1CCNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772814913 UZIXRGRYDVNJSV-ZDUSSCGKSA-N 375.498 1.177 0 50 GDAA Cc1nc[nH]c1CN1C[C@@H]2CN(C(=O)c3cccc(S(C)(=O)=O)c3)CC[C@@H]21 1775982067 HAJGHNSMXJWSFT-YJBOKZPZSA-N 388.493 1.468 0 50 GDAA Nc1ncc(CN2C[C@@H]3CN(CC(=O)O)C[C@]3(CCc3ccccc3)C2)cn1 1772807867 UWGFDOQZSBOJCY-NQIIRXRSSA-N 381.480 1.510 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1C[C@@H]1CCCO1 11663809 GRKFVMRVLCWWDC-INIZCTEOSA-N 382.486 1.866 0 50 GDAA O=C(NCCCN1CCC(O)CC1)c1cn(Cc2ccc(Cl)cc2)nn1 11945215 SFSOEQTUPLGPDS-UHFFFAOYSA-N 377.876 1.556 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1Cc1ccccc1F 12316506 FIWVKPNIKUBXTG-UHFFFAOYSA-N 381.473 1.678 0 50 GDAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CNC(C)=O)C1 12576701 ABUWSUPOOQGCJO-IBGZPJMESA-N 382.407 1.815 0 50 GDAA CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@H](C)c2ccncn2)CC1 12053605 ILVSJIDIPGUHPP-MRXNPFEDSA-N 386.504 1.695 0 50 GDAA COCc1ccc(C(=O)NCc2nnc3n2CCN(CCC(C)C)CC3)o1 14957269 NHBJMTAUZKFPBI-UHFFFAOYSA-N 375.473 1.852 0 50 GDAA C[C@]1(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)CCc2cnccn2)C3)CCCCO1 1857695214 ZQLJWDFUBLMJHM-KPYYAMLLSA-N 386.496 1.722 0 50 GDAA CN(CC(=O)N1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3)C1CCCC1 1857715550 WUVQPTYNRPKIQT-JZJXAQOMSA-N 389.540 1.783 0 50 GDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)CCn3c(CO)nc4ccccc43)C[C@H]2CO1 1857723813 YAIYLXJXRYJISV-TXPKVOOTSA-N 386.496 1.533 0 50 GDAA Cc1cccn2c(CC(=O)Nc3cnc4c(c3)CN(S(C)(=O)=O)CC4)cnc12 1875243593 NZDWQWFXZAUUKZ-UHFFFAOYSA-N 399.476 1.537 0 50 GDAA Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H]3c4ccccc4C[C@H]3O)c(C)c12 123202577 GJBYZBBJECKGKH-APWZRJJASA-N 380.448 1.586 0 50 GDAA CNC(=O)COc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1OC 263766182 DMTWIIXMIXHTRW-INIZCTEOSA-N 375.469 1.520 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCN(C[C@@H]2CCOC2)CC1 267424410 XNLFVJVXMGRBTI-IRXDYDNUSA-N 391.537 1.924 0 50 GDAA COC(=O)CSCc1nc(-c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)no1 1875260186 HPOPIONPKJLYKA-MRXNPFEDSA-N 376.394 1.197 0 50 GDAA COCCn1cc([C@H]2N(C(=O)c3nnn4ccccc34)CC23CCOCC3)cn1 1875285258 ICBMAXZWNUWLRP-GOSISDBHSA-N 396.451 1.566 0 50 GDAA CC1(C)CC(C(=O)N2CCN(CCNC(=O)Cc3c[nH]c4cnccc34)CC2)C1 1875332465 SXSQOWBQMBYINT-UHFFFAOYSA-N 397.523 1.802 0 50 GDAA CC(=O)N1CC[C@H](NC[C@]2(CO)COC[C@@H](C)N2C)c2ccc(F)cc2C1 1875398707 BRONSNUYTZEZOT-UAOJZALGSA-N 379.476 1.290 0 50 GDAA 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CC(C)(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)COCc2ccccn2)[nH]n1 2325828602 MECJLFGGMNUPCG-HOTGVXAUSA-N 397.479 1.744 0 50 GDAA COc1cccnc1C(=O)N[C@H]1CC2(CN(Cc3ncc(C)o3)C2)n2ccnc21 2332237972 SIOOGOMWHRNSSA-AWEZNQCLSA-N 394.435 1.669 0 50 GDAA CN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Br)cc1 1162500 FABNPILDCZJKAW-LBPRGKRZSA-N 391.287 1.365 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CC(c3ccccn3)C2)cc1OC 2356148403 UUEYBFROEMEXFR-UXHICEINSA-N 397.431 1.281 0 50 GDAA CC[C@H](C(N)=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 248141719 YPDGUKGJHUTDSD-BZUAXINKSA-N 396.532 1.478 0 50 GDAA CCn1c(C2CCN(C(=O)[C@@H](Cc3c[nH]cn3)n3cccc3)CC2)n[nH]c1=O 67867582 IPRKYMKGJRSDNJ-MRXNPFEDSA-N 383.456 1.306 0 50 GDAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)s1 23506601 MCCUIIIYOFJMOT-CQSZACIVSA-N 382.445 1.921 0 50 GDAA COc1ccccc1-n1cc(C2=CCN(CC(=O)N3CCOCC3)CC2)cn1 67772545 WDBVQENQEALHIU-UHFFFAOYSA-N 382.464 1.829 0 50 GDAA CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 2804874 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CC(=O)N1CC2(CCN(c3nc(N(C)C)nc(C)c3C)CC2)C[C@H]1C(=O)O 72149809 DBVVECZSEIEXBW-HNNXBMFYSA-N 375.473 1.451 0 50 GDAA Cc1noc([C@H]2CN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CCN2C)n1 285525839 QYKXEIKMUAMZPH-OAHLLOKOSA-N 382.428 1.694 0 50 GDAA C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)n1ccc2ccccc2c1=O 287963244 ITTSVCBKJXYVMA-XVSDVWIESA-N 393.447 1.432 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(F)c(F)c3)cc2C1 91663373 IQGLIJBUYCPIGL-UHFFFAOYSA-N 384.408 1.257 0 50 GDAA COCc1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)no1 95499637 RQXNIMLZHPVMGD-UONOGXRCSA-N 375.429 1.444 0 50 GDAA CC(C)CNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95527702 PBBJEYSGGXGDEG-UHFFFAOYSA-N 383.514 1.722 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3c[nH]c4ccccc34)cc2C1 91625705 BRBKUWXCRKOKDT-UHFFFAOYSA-N 380.452 1.721 0 50 GDAA NC(=O)N1CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 95529178 FJLFPABNQDNJSS-LJQANCHMSA-N 390.528 1.499 0 50 GDAA COc1ccc(CN2CC=C(C)CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95526054 QYZBMPLSVMLRQO-FQEVSTJZSA-N 389.540 1.834 0 50 GDAA CN(CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2)Cc1ccccc1F 95368933 XMLLIUWKYYLZQZ-DOTOQJQBSA-N 376.476 1.862 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3cccc(-c4ncc[nH]4)c3)cc2C1 91952162 UUSLKUGDYFXLRE-UHFFFAOYSA-N 393.451 1.700 0 50 GDAA COCCn1cnnc1CCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95507934 JYGKHYCBEAHDHT-UHFFFAOYSA-N 382.424 1.146 0 50 GDAA CC(=O)NCCc1nc(Cn2cncn2)nn1Cc1c(F)cccc1Cl 96153723 ILHGGLGLVFLQHR-UHFFFAOYSA-N 377.811 1.437 0 50 GDAA O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 252490261 KNHMEPIOZGNWKQ-JKSUJKDBSA-N 378.432 1.636 0 50 GDAA Nc1ccnc(-c2cccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)c2)n1 534662766 PGKYGHFEHQHLBK-INIZCTEOSA-N 375.436 1.915 0 50 GDAA O=C(Cn1cnnn1)NC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 827864404 LZUQCSHGODARCE-AWEZNQCLSA-N 398.446 1.231 0 50 GDAA CNC(=O)CCc1ccccc1NC(=O)c1ccc(Cn2nnnc2C)cc1 823819735 LIDXZGOXFKSMMC-UHFFFAOYSA-N 378.436 1.961 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCCN(C(=O)c2ccco2)C1 828013057 MENYKECEVOJYPQ-AWEZNQCLSA-N 396.407 1.055 0 50 GDAA COCCS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 864097442 SIJYATGJDQALLC-UHFFFAOYSA-N 395.403 1.831 0 50 GDAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952893838 WUYXNYQYTLEKTL-MRXNPFEDSA-N 396.495 1.547 0 50 GDAA COCCNC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(C)c2cc(F)ccc21 1875344404 JWDPALREIONLIO-INIZCTEOSA-N 394.491 1.375 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3cc(NC4CC4)ncn3)C2)c1C 1875397500 CAOZCSYQXHAAFE-OAHLLOKOSA-N 396.499 1.850 0 50 GDAA CN(C)c1noc(CN2CCC[C@]3(C2)[C@@H](NC(=O)C2CCCC2)CCN3C)n1 1875392340 AXHJADCTUZVUNL-JXFKEZNVSA-N 390.532 1.481 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)ncc3F)C2)C1 1875384364 GFCXTTCIQSHMQG-NEPJUHHUSA-N 381.839 1.389 0 50 GDAA O=C(c1cccnc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCCCC1 269271052 DHUHIVJJTJKQKO-INIZCTEOSA-N 392.525 1.017 0 50 GDAA CN(C(=O)NCc1nc(-c2ccccc2)cs1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565509609 FYYREUUUJVZSEI-KBPBESRZSA-N 381.479 1.109 0 50 GDAA CN1CCN(c2cc(NC[C@@H](O)c3ccc(Cl)c(F)c3)ncn2)CC1=O 274964664 XFSFGXFVQFFUPG-CQSZACIVSA-N 379.823 1.693 0 50 GDAA COc1ccc2[nH]cc(CC(=O)N[C@@H]3CCCN(c4nccn(C)c4=O)C3)c2c1 275533329 DWZAYBURJPSOGX-OAHLLOKOSA-N 395.463 1.598 0 50 GDAA O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCN(c2ccncc2Cl)CC1 170600297 YTQZCNQXHPHICG-CYBMUJFWSA-N 390.793 1.937 0 50 GDAA Cc1ccc(-c2ccc(C(=O)NCCC(=O)NS(C)(=O)=O)c(F)c2)cc1 192034493 JHSBXKABBANLOC-UHFFFAOYSA-N 378.425 1.997 0 50 GDAA Cc1cccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 1506400226 VJAMPZQYVZSZBQ-GOSISDBHSA-N 395.525 1.859 0 50 GDAA Cc1c(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c(N2CCCC2)nn1C 1506396137 ICINGKUFJDMFMU-INIZCTEOSA-N 380.456 1.738 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C23CCCC3)cc1 1506407124 IUIWKUSSXMJAGO-UHFFFAOYSA-N 379.482 1.260 0 50 GDAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)N2CCOC3(CCN(C)CC3)C2)C1(C)C 1772817223 MTGQNKRAUADSKM-UZLBHIALSA-N 379.545 1.888 0 50 GDAA CNC(=O)c1noc(CNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)n1 1772814088 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Cc1cc(N)n(CC(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)n1 1857695327 DVZBQUUTOXXNJQ-HXUWFJFHSA-N 382.468 1.653 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)on1 211391729 KHVHTUIOIFCSGS-WBVHZDCISA-N 392.456 1.166 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@@H]1c1ccc(F)cc1 213333549 YIKPSWGTJYRZJK-CVEARBPZSA-N 381.367 1.742 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)CCO2)o1 328613735 TZMDXBUJHBNQQL-INIZCTEOSA-N 392.481 1.777 0 50 GDAA CCOc1cc(CN2CC[S@@](=O)C[C@@H](C)C2)nc2nc(C(F)(F)F)nn12 369356522 BJJLFLOAGRSQQI-RSNKEIGGSA-N 391.419 1.742 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)nnn1-c1ccc(F)c(Cl)c1 262730812 HYTUBELLXUIXFY-NSHDSACASA-N 382.779 1.684 0 50 GDAA CN(C(=O)CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C1CCCCC1 267390057 WUXIDFRBZVPQPY-UHFFFAOYSA-N 387.889 1.508 0 50 GDAA COc1ncccc1CN1CC[C@@]2(C1)C(=O)N(CC(=O)N(C)C)c1ccccc12 2100544687 FKKSHOPVIFTDAU-QFIPXVFZSA-N 394.475 1.669 0 50 GDAA Cn1c(N)c(-c2csc([C@H]3CCN(Cc4ccccc4)C3)n2)c(=O)n(C)c1=O 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CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 64800453 GFYTYGZFHAUONU-UHFFFAOYSA-N 391.497 1.736 0 50 GDAA CC(C)CS(=O)(=O)c1ncc(CN(C)C[C@H](O)CO)n1Cc1ccccc1 20541762 PDSJUZHLHKRHRQ-SFHVURJKSA-N 395.525 1.146 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc12 249426967 FZCIHEZBLGANRE-XJKSGUPXSA-N 392.506 1.735 0 50 GDAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)cnc1N 119281394 YQKUVZNVHMMEIN-SECBINFHSA-N 387.263 1.140 0 50 GDAA O=S(=O)(NCCCCN1CCN(CCO)CC1)c1cccc2ccccc12 119517366 UQGREPFYBCNCJQ-UHFFFAOYSA-N 391.537 1.508 0 50 GDAA CCN1CCN(C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 67885045 SZKWSORKXMFNCS-FQEVSTJZSA-N 379.476 1.325 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCc1ccccn1)CO2 67846960 UMDGWKBLEFPTMO-QGZVFWFLSA-N 382.464 1.730 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)n1 219913380 FSCZRQYJEKFYTC-SFHVURJKSA-N 380.452 1.289 0 50 GDAA Cc1cc(=NC(=O)CN(C)c2nccc(=N[C@H]3CCCO[C@@H]3C(C)C)[nH]2)[nH]o1 328633845 MIPCMPCQLUAZBH-KBXCAEBGSA-N 388.472 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fda O=C(NC[C@H](c1cccnc1)N1CCOCC1)Nc1ccc2c(c1)C(=O)OC2 96159744 DWTPELCWAXVURD-GOSISDBHSA-N 382.420 1.947 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cccc(Cn3cccn3)c1)CC2 95374068 XCTATNRSXFDNGZ-GOSISDBHSA-N 382.464 1.829 0 50 GDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2coc(CN3CCOCC3)c2)C1 95359935 LLKRRENJSFVNQH-HNNXBMFYSA-N 386.452 1.580 0 50 GDAA O=C1NC[C@@H](C(=O)N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)N1 92061794 XGQSCGSXRXAJKF-KRWDZBQOSA-N 384.480 1.142 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C(=O)O)CC2=O)cc1OC 299751489 QQQVFWZYSCAOLM-TZMCWYRMSA-N 376.409 1.522 0 50 GDAA CCc1ccccc1NC(=O)CCN1CCN(c2ccnc3nncn23)CC1 299802187 XYVZBDJQTPSBPA-UHFFFAOYSA-N 379.468 1.838 0 50 GDAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCc3nc(N)cc(O)n3)CC2=O)cc1 827582923 PUAUUCAVXNJISV-AWEZNQCLSA-N 383.452 1.600 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 824370190 GQRNXZKUYCTCNR-KRWDZBQOSA-N 383.514 1.113 0 50 GDAA C[C@H]1CN([C@H](C)C(=O)NCC2CCN(CCc3ncc[nH]3)CC2)C[C@@H](C)O1 825031287 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Cc1ccc(CNC(=O)c2nnc(CN3CC[C@]4(CNC(=O)C4)C3)s2)cc1 278804626 GEVMOLWNJKZIKP-IBGZPJMESA-N 385.493 1.489 0 50 GDAA CN(C)CCOc1ccc(N(C)C(=O)c2csc(S(N)(=O)=O)c2)cc1 732136595 SSSPWYOPVUQWJP-UHFFFAOYSA-N 383.495 1.613 0 50 GDAA C[C@H]1CN(CCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 191429292 FLAFEGSNTIHWQT-ZDUSSCGKSA-N 393.962 1.429 0 50 GDAA CN(C)c1ccc(CCC(=O)N2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)cc1 208415058 UROOLJFXBIORNS-PMACEKPBSA-N 375.513 1.104 0 50 GDAA CN(C)C[C@]12CN(C(=O)c3cccc(O)c3)C[C@H]1CN(C(=O)C1CC=CC1)C2 1772700879 FOERJTKQBCEXEQ-GCJKJVERSA-N 383.492 1.821 0 50 GDAA Cc1nn2ncccc2c1C(=O)N1C[C@@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772813434 ANALGMWMILYRLX-LIRRHRJNSA-N 398.492 1.061 0 50 GDAA CCOC(=O)N1CC[C@H](N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 1772819490 WCJVESHOYGHXPX-INIZCTEOSA-N 389.452 1.794 0 50 GDAA CN1CC[C@]2(C(=O)N3CCOCC3)CCCN(C(=O)c3ccsc3)[C@H]2C1 1775982994 QOMPXIOEYIPTMT-QFBILLFUSA-N 377.510 1.533 0 50 GDAA CCCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 11933734 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COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cncc(C)c3)CC(=O)N2[C@H]1c1ccccc1 1857712945 ORCVXLNYWKMSJJ-BJLQDIEVSA-N 393.443 1.977 0 50 GDAA CCn1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cn1 1857716909 IVLBRILASFTMFF-OALUTQOASA-N 386.500 1.705 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cn3c(n2)CCNCC3)[C@H]1c1ccccc1 1857716910 GPZJAEFTLAGRTJ-ICSRJNTNSA-N 383.496 1.173 0 50 GDAA CCS(=O)(=O)N1CCOC[C@H](CN2CCc3cc(OC)c(OC)cc3C2)C1 1857733027 RNRWXERUTRGMGV-OAHLLOKOSA-N 398.525 1.360 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N(C)Cc2cc[nH]n2)C[C@H]1N=c1[nH]nc(CC)o1 1857735557 FGFUVYAIHJAHMO-NUEKZKHPSA-N 390.488 1.811 0 50 GDAA NS(=O)(=O)c1ccc(NCc2ccccc2CN2CCC(O)CC2)nc1 225652480 ZMIQYFGOEKYLAR-UHFFFAOYSA-N 376.482 1.298 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 328612911 QARHOEDQRRGVBW-LBPRGKRZSA-N 378.414 1.083 0 50 GDAA COc1cc(OC)c(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1OC 1704315307 RNDHNYQQTAHVIZ-UYAOXDASSA-N 378.469 1.631 0 50 GDAA COCCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccc1F)C[C@@H]2O 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CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCC2)(c2cccc(F)c2)C1=O 12040131 QOZXZJKQFUCLAP-HXUWFJFHSA-N 375.444 1.397 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(C)n(C)n2)cc1 12457716 DSSCCCFIWKPETN-IBGZPJMESA-N 399.495 1.134 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 19147981 BVUBEFHYWSBVGU-IBGZPJMESA-N 393.491 1.121 0 50 GDAA O=C(O)C1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 19804894 IQMQJQPMOWHYGS-CYBMUJFWSA-N 381.226 1.878 0 50 GDAA CCOc1cccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)c1 20028981 FVMKQQPDMNTDNX-KRWDZBQOSA-N 397.431 1.768 0 50 GDAA CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)CN3CCCCCC3)C2)CC1 20455220 HAIRCFMXOUUWSO-LJQANCHMSA-N 378.561 1.655 0 50 GDAA NC(=O)CNC(=O)c1ccc([C@H]2CCCN2C2CSCCSC2)s1 23339762 CLHHTEDNFGTEFY-GFCCVEGCSA-N 385.580 1.949 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CN3CCC(OC)CC3)c2)CC1 23372855 YXQSKVLQFOJJIG-HXUWFJFHSA-N 391.556 1.675 0 50 GDAA CC[C@H]1CN(Cc2cn(C3CCN(C4CCN(C)CC4)CC3)nn2)CCO1 48066978 JVYOQYFWOSXKAL-FQEVSTJZSA-N 376.549 1.620 0 50 GDAA COc1ccc(OCc2cc(C(=O)N[C@@H]3CCCNC3=O)n[nH]2)c(Cl)c1 67674339 SHHJADWAKUHJIQ-CYBMUJFWSA-N 378.816 1.659 0 50 GDAA Cc1nnc(CN(C)Cc2cccc(C(=O)Nc3ccnc4ncnn34)c2)o1 67983546 OFFQDZURCIYQJP-UHFFFAOYSA-N 378.396 1.700 0 50 GDAA COc1nc2c(cc1CNC(=O)c1cccc(CO)n1)C(=O)N(C1CCCC1)C2 71745164 KFUSGDMFDZBIMI-UHFFFAOYSA-N 396.447 1.806 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@H]1CCCO1)C(=O)N(CCc1ccccn1)C2 71750081 GEDMSEIILXNJKX-GOSISDBHSA-N 396.447 1.479 0 50 GDAA CC(C)(CO)NC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 71788729 NCTJRMRIQLJFBF-ZDUSSCGKSA-N 383.489 1.122 0 50 GDAA in-vitro Cc1nn(C)c2nc(-c3ccccn3)nc(NCCN(C)S(C)(=O)=O)c12 72421644 GGCWEZFPTTVWRW-UHFFFAOYSA-N 375.458 1.037 0 50 GDAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 76941184 QYOWTZLDPOWREH-INIZCTEOSA-N 381.423 1.293 0 50 GDAA COc1ccc(Cc2nnc(NC(=O)N[C@H]3CCN(C)C3=O)s2)cc1OC 82039591 YFYMIAVAASYHNZ-NSHDSACASA-N 391.453 1.498 0 50 GDAA COCCN(C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82109275 JRVIUPHZBUWNPB-NRFANRHFSA-N 388.512 1.391 0 50 GDAA CN(C)C(=O)NCC(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91494316 MYFBJGVERCKBSV-UHFFFAOYSA-N 386.496 1.689 0 50 GDAA O=C1NC[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)N1 91769649 KESWZDQMAQNKDH-PFWMLDTASA-N 382.464 1.222 0 50 GDAA COCCCN1CC2(CCN(C(=O)CCn3cc(Cl)cn3)CC2)CC1=O 95375904 LAMBNXZMQJIHMI-UHFFFAOYSA-N 382.892 1.804 0 50 GDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NC3CCC3)c2)CC1 95512459 MVQREWFGNNXNKY-UHFFFAOYSA-N 381.498 1.619 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cncnc2C)CC1 96149462 ZFQWLODADFVZQH-UHFFFAOYSA-N 380.456 1.661 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)CCc3cccc(F)c3)C[C@]2(C(=O)O)C1 96153854 OZAQRJMIVPTORY-LIRRHRJNSA-N 377.416 1.285 0 50 GDAA O=C(Nc1cncc(F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 97088399 PLFQZHUFIIZXBJ-GFCCVEGCSA-N 379.413 1.788 0 50 GDAA COCCc1nc(CCn2nnnc2C)n(-c2cc(Cl)ccc2OC)n1 97757915 ARRLYQFYPKWETL-UHFFFAOYSA-N 377.836 1.656 0 50 GDAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 119047223 RBRBAHHSZGZGQP-LBPRGKRZSA-N 397.888 1.171 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc3c(c1)C[C@H](C)O3)C2 189209931 XJQXDKQBNBZCRZ-LBPRGKRZSA-N 375.450 1.334 0 50 GDAA COC(=O)[C@@]1(C)N[C@@H](c2csc(-c3ccccc3)n2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210199826 PDAATIRPVVRSPQ-MNUAXYBXSA-N 385.445 1.617 0 50 GDAA Cn1cc(C(=O)O)c(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)c(F)c2)n1 248143408 RDVOFKONPDDQRG-ZDUSSCGKSA-N 387.415 1.794 0 50 GDAA COc1ccccc1OC[C@H](O)COC[C@@H](O)COc1ccccc1OC 257354828 AFKSAYSHFVIMCI-HZPDHXFCSA-N 378.421 1.900 0 50 GDAA in-vitro O=C(O)[C@@H]1CCCN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 262064084 ARCILMODRGOPPI-LBPRGKRZSA-N 390.255 1.440 0 50 GDAA CC[C@@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262715976 GSEIYICXWZYURM-KBPBESRZSA-N 393.831 1.647 0 50 GDAA CC(=O)NC1(c2noc(CCC(=O)N3CC[C@@H](C(=O)O)C3)n2)CCCCCC1 269193949 PCXNFUHQEKCDEE-CQSZACIVSA-N 392.456 1.621 0 50 GDAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@H]4OCc5cnnn5[C@H]4C3)c2c1 299782735 WDMVUAHIXHSQNL-JKSUJKDBSA-N 383.408 1.257 0 50 GDAA COc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)c1 328610163 GSGLOTPTBZXHGA-OAHLLOKOSA-N 378.454 1.044 0 50 GDAA COc1cc(C(=O)NCc2ccnc(-n3cccn3)c2)ccc1OCC(N)=O 363095447 DWXFVXLXIJUGJT-UHFFFAOYSA-N 381.392 1.070 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3CCN(C)C3=O)csc2C1 426551812 MUHVQLVXJSFRIO-MRXNPFEDSA-N 388.493 1.872 0 50 GDAA CCNc1ccnc(-c2cccc(C(=O)N[C@H](COC)c3ccnn3C)c2)n1 426562829 FRSXFFPQJVVFGJ-MRXNPFEDSA-N 380.452 2.426 0 50 GDAA COc1cc(CC(=O)N2CCC[C@@H](N(CC(=O)O)C(C)=O)CC2)ccc1C 460594904 GEVZIBMLGGNLCH-QGZVFWFLSA-N 376.453 1.860 0 50 GDAA COc1cccc(OCCN2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)c1 484331905 XCZXLQNBTZFOQC-UHFFFAOYSA-N 383.448 1.631 0 50 GDAA COc1ccccc1CN(CCCO)C(=O)N[C@@H]1CCCN(C(=O)C2CC2)C1 584901716 GSYAOFXWAGIRNK-GOSISDBHSA-N 389.496 1.990 0 50 GDAA CCCN1C[C@@H](NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1=O 670473280 FREQZFWTYJISCG-JTQLQIEISA-N 379.766 1.648 0 50 GDAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cnnn2)cc1 821810104 LMESTVXGVDVNNU-INIZCTEOSA-N 376.464 1.898 0 50 GDAA CCc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)Cn3ccccc3=O)C2)c1C 823484406 BVVXMNMGASKYGW-HNNXBMFYSA-N 385.468 1.111 0 50 GDAA COCCN1C[C@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)CCC1=O 824412310 CWUPUSXAEFULCV-GOSISDBHSA-N 391.487 1.745 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)CC(F)(F)F)cc1OC 1529113092 BPBCHAVSHKFUQL-KGLIPLIRSA-N 376.331 1.281 0 50 GDAA O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1ccc(-n2ccnc2)cc1 1565510843 JSKHSDSECMTAOZ-PMACEKPBSA-N 377.448 1.633 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565516977 FHMTWLAMRWZIJL-SJORKVTESA-N 384.484 1.759 0 50 GDAA COc1ccc(CNC(=O)CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)cc1OC 1704338725 YJHLXUBAIRIUCQ-NVXWUHKLSA-N 389.452 1.152 0 50 GDAA O=C(CN1CCOC1=O)N1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772705731 MWQZANBKJRWLPH-IERDGZPVSA-N 399.447 1.138 0 50 GDAA CC(C)S(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1800410147 ONWGPZFMXJNAQU-UHFFFAOYSA-N 376.482 1.963 0 50 GDAA Cn1nc(-c2ccccc2)c2cc(C(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)sc21 1857673580 VVTVTKLXFGXLIZ-BQGCOEIASA-N 385.445 1.559 0 50 GDAA O=C([C@@H]1[C@H]2COC[C@H]21)N1CC([C@H](F)Cn2cc(-c3cn4ccccc4n3)nn2)C1 1875353525 WFLVPRZXMMMUIY-GJRWTSMGSA-N 396.426 1.282 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@H]2CCN(C(C)=O)c3ccccc32)ncn1 1875399582 DGUAIHJSFKPFSU-NUJGCVRESA-N 396.495 1.545 0 50 GDAA COC(=O)c1ncoc1[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 2325784367 XQTIZBKMZCUBJH-SECBINFHSA-N 397.229 1.701 0 50 GDAA O=C(C[C@@H]1CN(C(=O)Cc2cccs2)C2(CCC2)CO1)NCC1=NOCC1 2325785270 NCYRXUUFCMNCSI-OAHLLOKOSA-N 391.493 1.723 0 50 GDAA N[C@H]1Cc2ccc(NC(=O)C(=O)Nc3ccnn3Cc3cccnc3)cc2C1 2325858724 YNNPXYHNCMPUJE-INIZCTEOSA-N 376.420 1.330 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)c1C 2356165917 LBMTWSYSDCMEHO-RXVVDRJESA-N 385.464 1.574 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1 687747 XQUNUTAIHUZEEC-UHFFFAOYSA-N 379.526 1.930 0 50 GDAA Cc1ccc(C(=O)Nc2cccc(O)c2)cc1S(=O)(=O)N1CCOCC1 754805 IHMOFNPSILGGEA-UHFFFAOYSA-N 376.434 1.974 0 50 GDAA O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N(CCO)CCO)c1 827234 LEZHYVHCOYDHCW-UHFFFAOYSA-N 398.868 1.568 0 50 GDAA O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899545 CECZMRGEJVXTPG-UHFFFAOYSA-N 398.481 1.662 0 50 GDAA CN(CC1(CO)CCC1)C(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356160184 HJGWQGVHEMDAPT-ZWWNWMABSA-N 383.492 1.939 0 50 GDAA COCCn1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 4251051 IPIIPAIAFBUFJI-UHFFFAOYSA-N 381.436 1.461 0 50 GDAA CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)c(C)c1 4414881 DJJHXXUNHPRHLH-UHFFFAOYSA-N 377.466 1.774 0 50 GDAA COC(=O)[C@H](CCSC)NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O 6937435 UCXGSBQIUXUPME-AWEZNQCLSA-N 388.449 1.289 0 50 GDAA CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@@H](C(=O)OC)c1ccccc1 8584495 GSDBDVQHYYYBRL-SMDDNHRTSA-N 376.438 1.253 0 50 GDAA CCN(CC)CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225723002 ZBCACYMAPUXDME-QGZVFWFLSA-N 379.476 1.301 0 50 GDAA NC(=O)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1N1CCOCC1 105770545 SLDVGYUOIPCHNG-SYWGBEHUSA-N 385.420 1.084 0 50 GDAA C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)NCC1CN(S(C)(=O)=O)C1 422175789 GSEIRLXXZOWXSZ-GOSISDBHSA-N 383.489 1.824 0 50 GDAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(C(=O)Nc2nnc(C)s2)cc1 65372014 KGVRITWMZQZNMO-KGLIPLIRSA-N 376.438 1.207 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 328633722 MFILXTJXEBIHMG-KRWDZBQOSA-N 377.452 1.591 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2nccc(N[C@@H]3CCCO[C@H]3C(C)C)n2)C1 328631559 KQDPLZBRLLHSRJ-INMHGKMJSA-N 397.545 1.610 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 328611214 KRFVSTMBXHRVOM-KRWDZBQOSA-N 395.485 1.088 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2=O)cc1 330146072 SPQJQOAXPJBGMX-CQSZACIVSA-N 383.370 1.534 0 50 GDAA CCN1C[C@@]2(CCCN(C(=O)c3cc(-n4cnnn4)ccc3O)C2)CCC1=O 72435629 UTROWTNUPSHYBJ-LJQANCHMSA-N 384.440 1.233 0 50 GDAA O=C1N[C@@H]2CN(Cc3cc(Cl)cc4c3OCC4)CC[C@@H]2N1C1CCNCC1 333199855 XJTPTDZQPZOGPF-MSOLQXFVSA-N 390.915 1.995 0 50 GDAA CCCc1ncncc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 219788749 QZPWDWOHSRBZLU-LJQANCHMSA-N 395.467 1.487 0 50 GDAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 129387520 SUEWVPVAUBMJDY-OAHLLOKOSA-N 391.497 1.620 0 50 GDAA O=C(Nc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)ccn1)C1CC1 285110913 OOUJYCTYKPZCLG-MRXNPFEDSA-N 382.420 1.944 0 50 GDAA COC(=O)c1ccc(N2CCN(CC(C)(C)CN3CCOCC3)CC2)cc1 72481578 RCJNGLDPOWPABD-UHFFFAOYSA-N 375.513 1.954 0 50 GDAA CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1 77556236 PQJRUZKYLCXDPS-AWEZNQCLSA-N 391.493 1.559 0 50 GDAA CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)C2)CC1 175862364 SVZLSKPXYWLVJQ-MAUKXSAKSA-N 376.549 1.389 0 50 GDAA CCOC(=O)N1CCC[C@H](C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)C1 241862508 SQRQFSNSZFTNBS-XYTVBORESA-N 394.516 1.055 0 50 GDAA COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@H]1CN1CCOCC1 288803029 ZJZLHIOVAQPSTK-INIZCTEOSA-N 390.484 1.726 0 50 GDAA CN1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1 48170725 MFTXWEXVISOWPQ-UHFFFAOYSA-N 378.480 1.624 0 50 GDAA Cn1c(CO)nnc1CC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 82136809 FNCBFUHBQASADU-UHFFFAOYSA-N 380.452 1.588 0 50 GDAA CNC(=O)COc1ccccc1-c1cccc(C(=O)N2CCNC(=O)[C@@H]2C)c1 426699847 BIQHFHLAXPAKKT-AWEZNQCLSA-N 381.432 1.439 0 50 GDAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)no1 95515188 PAEYZNFSYZEDAW-UHFFFAOYSA-N 383.452 1.886 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(OC)nc(N)n1)C2 95370349 LNRPKVQYLYANJB-QINHECLXSA-N 391.516 1.411 0 50 GDAA CN(C)C(=O)NCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 181037749 LYVGVHCXXAMGHN-KRWDZBQOSA-N 386.418 1.828 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 95527180 UVYAUODCDJLEMK-UHFFFAOYSA-N 384.444 1.222 0 50 GDAA Cc1nc(C2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)cc(=O)[nH]1 23479195 HAJXKJOOYULHTG-UHFFFAOYSA-N 382.464 1.679 0 50 GDAA CN(C)c1ccc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)cn1 96161868 JISATIXWIJUPSV-UHFFFAOYSA-N 380.500 1.901 0 50 GDAA Cc1cnc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)cn1 244700962 JXHHUDSWTIKZOM-WKILWMFISA-N 381.436 1.834 0 50 GDAA CCn1c(C2CCN(C(=O)CCc3cn4ccccc4n3)CC2)nn(C)c1=O 67868755 DPBSHYPTVHAEPY-UHFFFAOYSA-N 382.468 1.588 0 50 GDAA Cc1nccn1Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2 828129250 YVXSCQBSSSDHPX-UGNRZPKXSA-N 378.432 1.590 0 50 GDAA O=S(=O)(NCCN1CCC[C@@H](CO)C1)c1ccc(OC(F)(F)F)cc1 670472106 BNRJJLYBWHNOJS-GFCCVEGCSA-N 382.404 1.568 0 50 GDAA Cc1cn2c(n1)[C@@H](C)N(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)CC2 1875266299 LQHPDVGXXRNMDA-CQSZACIVSA-N 381.436 1.860 0 50 GDAA C[C@H](N=c1ccc2nnc(-c3ccccn3)n2[nH]1)c1cccc(S(N)(=O)=O)c1 1875324072 FXLJHCSLGRBRKN-LBPRGKRZSA-N 395.448 1.429 0 50 GDAA O=S(=O)(Cc1ccccc1Br)N=c1nc[nH]n1-c1ncccn1 1875313729 YLKHLYNRKOLTQO-UHFFFAOYSA-N 395.242 1.184 0 50 GDAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(N)c(C(N)=O)c2)c(F)c1 1875384096 LKZGIVIBDUTEPU-SECBINFHSA-N 379.413 1.353 0 50 GDAA Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c2ccc(F)cc2n1 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399.447 1.258 0 50 GDAA CCn1nc(C)cc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857722932 QCBWOVRFBCSYRT-PMACEKPBSA-N 399.495 1.521 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCC(=O)OC)CC[C@@H]1NC(=O)c1cc[nH]c1C 1875248857 SWRCMADQLJPTCX-XIRDDKMYSA-N 393.484 1.696 0 50 GDAA CCc1cc(NC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)n(C)n1 329367250 HHHXPELEGOJXCK-CYBMUJFWSA-N 386.416 1.371 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CCN(Cc4ccccc4)C3=O)ccc21 931188914 VCPZSPVJUFNMNY-MRXNPFEDSA-N 378.432 1.864 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 2325737970 FCUUGQZATOCRJW-PIMMBPRGSA-N 385.461 1.809 0 50 GDAA C[C@H]1CN2C(=O)[C@H](c3cccc(I)c3)NC(=O)[C@@H]2CO1 2325801855 YNHCRGMEQXIJPE-UWJYBYFXSA-N 386.189 1.078 0 50 GDAA CNC(=O)C1(C(=O)N2CC[C@@H](C)[C@H](NC(=O)c3cccc4[nH]ncc34)C2)CCC1 2325824305 XTJVEENOTSMAOP-CXAGYDPISA-N 397.479 1.446 0 50 GDAA CCN1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)CCC1=O 2325864154 HVXCRFHWWRJRLL-ZWKOTPCHSA-N 399.491 1.601 0 50 GDAA 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384.408 1.738 0 50 GDAA CN(Cc1ccsc1)Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1 64074156 XGEFFXWZDBSCCL-OAHLLOKOSA-N 377.466 1.214 0 50 GDAA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 36152259 JNXVTZHZRJAGIW-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA Cc1ccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72137117 OXUUYETUPOIBBD-DFQSSKMNSA-N 386.521 1.979 0 50 GDAA Cc1nccn1CCCC(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71422491 SJXZSZMQVKJXTH-UHFFFAOYSA-N 378.436 1.702 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCCO 72153827 MUFOGBCGBWTVEK-HXUWFJFHSA-N 381.476 1.543 0 50 GDAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCc2c(ncn(C)c2=O)C1 329927899 XHLABASUBVEXBO-HNNXBMFYSA-N 392.463 2.485 0 50 GDAA CN(Cc1nccs1)[C@@H]1CC12CCN(c1cncc(OCCO)n1)CC2 377179712 OUUGTJDCRDNJFC-CQSZACIVSA-N 375.498 1.795 0 50 GDAA COC(=O)[C@@H](C)NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 36576106 MATFWHFBQMJLQC-CQSZACIVSA-N 386.452 1.516 0 50 GDAA O=C(C1CCN(C[C@@H](O)COC2CCOCC2)CC1)N1CCc2ccccc21 127440777 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CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(CC)nc1)CC2 95505826 UWIZQNVKFMRBJR-UHFFFAOYSA-N 382.468 1.688 0 50 GDAA CCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 239331329 KMNOMCBRTAPRTN-KGLIPLIRSA-N 381.498 1.504 0 50 GDAA O=C(c1ccc2nnnn2c1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 92065143 UUTQUYQWULCEGT-HNAYVOBHSA-N 388.475 1.828 0 50 GDAA CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nn1 180783375 GRDZKPLWANZJTF-AWEZNQCLSA-N 396.369 1.847 0 50 GDAA COc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CCCC2)cc1 294726325 BGKITEUWUQRVIH-UHFFFAOYSA-N 376.500 1.643 0 50 GDAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc(Br)cs1 181851636 DGKPFDYITQBYCP-UHFFFAOYSA-N 389.271 1.906 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 245020823 MIUJLSMULFUXEZ-SJFWLOONSA-N 385.416 1.770 0 50 GDAA Cn1ncc(Cl)c1C(=O)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 244673734 HUQRHDHWFQMFFK-TUAOUCFPSA-N 376.848 1.111 0 50 GDAA CCCN1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 263618931 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COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cc(C)nc(C)n1 1875313694 WXWFYUUUUDTJJS-UHFFFAOYSA-N 399.856 1.891 0 50 GDAA CC[C@H](C(=O)NCC1CCN(C(=O)c2c(O)cccc2O)CC1)n1cccn1 952979250 ZQHVUEJSDZHWFB-OAHLLOKOSA-N 386.452 1.914 0 50 GDAA Cc1oc(-c2ccccc2)nc1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 888091123 VFZYXVSRSHKSKT-UHFFFAOYSA-N 389.362 1.929 0 50 GDAA Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 188505361 LSUIKZHGKHEOAA-UHFFFAOYSA-N 398.492 1.964 0 50 GDAA O=C(c1ccc2c(c1)CCO2)N1CCCN(C(=O)c2nnc3n2CCCC3)CC1 1704330877 LNSNLBDYOWBLKA-UHFFFAOYSA-N 395.463 1.538 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCn1cccn1 12706004 SLVLHFUNHJVZEU-GOSISDBHSA-N 399.495 1.179 0 50 GDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NCCNC(C)=O)CC2 14536733 IUUKKJJINYNGHQ-QGZVFWFLSA-N 383.496 1.068 0 50 GDAA CN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 15066554 XLGGVGVOERSZAH-UHFFFAOYSA-N 393.407 1.840 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)CCOc2ccccc2)CC1 19148387 UJKYZOVZUOGKOX-UHFFFAOYSA-N 382.464 1.835 0 50 GDAA CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4491682 XMQPWWIUEDFHNR-BHEJFATLSA-N 386.379 1.820 0 50 GDAA NCCCC(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857681081 XKJXZGRMIOUVOA-SFHVURJKSA-N 393.459 1.162 0 50 GDAA CNc1ncccc1C(=O)N1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3 1857737260 DCRSUKXJNOGDQI-BIZBXSGISA-N 386.496 1.905 0 50 GDAA O=C(Cc1cccc(F)c1)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857738824 ZYVCAWLTKNMOJJ-XKGFGPFHSA-N 382.439 1.958 0 50 GDAA Cc1cnc(CCCC(=O)N2CC3(C[C@H](NC(=O)[C@@H]4C[C@H]4C)c4nccn43)C2)o1 2332237688 HVDRYDQSYTWCDO-BMFZPTHFSA-N 397.479 1.957 0 50 GDAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl 4838746 JBWSCLCFGZPKCW-ZDUSSCGKSA-N 397.884 1.497 0 50 GDAA COc1cccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1 4938168 RIPRKNDFGNZNRS-UHFFFAOYSA-N 389.433 1.447 0 50 GDAA CS(=O)(=O)c1ccccc1CC(=O)NS(=O)(=O)c1ccc(Cl)cn1 225388789 VPAYNOFHVIRPGY-UHFFFAOYSA-N 388.854 1.186 0 50 GDAA CCOc1cccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)c1 100805206 FVMKQQPDMNTDNX-QGZVFWFLSA-N 397.431 1.768 0 50 GDAA O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 112663673 PJNVENMOHRBARL-MRXNPFEDSA-N 397.460 1.824 0 50 GDAA Cc1ccc(OCCc2nnc(NC(=O)CCNS(C)(=O)=O)s2)cc1 55576369 YQBAWVIDHDNJRE-UHFFFAOYSA-N 384.483 1.346 0 50 GDAA CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55108442 NMDQDICAXPJTMV-INIZCTEOSA-N 394.834 1.816 0 50 GDAA O=C1CN(Cc2cn(CC3CCN(c4nccc5occc45)CC3)nn2)CCN1 23379974 YERWVBOMGNSIQO-UHFFFAOYSA-N 395.467 1.268 0 50 GDAA Cc1ccc2nc(SCC(=O)N3C[C@H](N)C[C@H]3C(=O)NC(C)C)[nH]c2c1 67673971 VFSNBBJQHUQPLP-DOMZBBRYSA-N 375.498 1.416 0 50 GDAA COc1ccc(-n2cccn2)c(CN2CCN(c3cc(C)nc(N)n3)CC2)c1 65505173 WLFDZAHUYSCRLB-UHFFFAOYSA-N 379.468 1.884 0 50 GDAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1Cc3ccccc3C[C@H]1C(N)=O)C2=O 252444232 XKIHZHKJOJDMOT-UVQUFPMPSA-N 398.507 1.993 0 50 GDAA CCN(C(=O)C[C@H]1COc2ccc(C(=O)NCCOC)cc2N1C)C1CC1 71403978 UKYOYUHKFMRVIU-INIZCTEOSA-N 375.469 1.661 0 50 GDAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCOC[C@@H]1c1ncnn1C 329156749 CWOUSMLOUFBIOW-CHWSQXEVSA-N 377.470 1.688 0 50 GDAA CCCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 329113399 RUPBDLFQWVHBOT-SJORKVTESA-N 379.501 1.265 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)OC1=O 77287865 OJRHGUCZVAEVQV-OAHLLOKOSA-N 384.498 1.794 0 50 GDAA O=C(O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCS(=O)(=O)C1 486019575 WGJQVAFDGJZLGF-NSHDSACASA-N 394.276 1.884 0 50 GDAA CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 154463795 MTNOZYQUXYLLBE-AWEZNQCLSA-N 376.482 1.613 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@H](C)N3CCOCC3)c12 72433165 VMOAPIZXSYPKNP-AWEZNQCLSA-N 381.484 1.891 0 50 GDAA O=C1NCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 156130240 DMGPUCQFGSHOEW-HXUWFJFHSA-N 398.507 1.021 0 50 GDAA CN(C)Cc1ccc(C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)cn1 377331222 QVDDNFGFXBIGLN-UHFFFAOYSA-N 388.493 1.713 0 50 GDAA C[C@@H](N)C(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2C1 77303193 YNNSPKWYHJXXHJ-OAHLLOKOSA-N 387.505 1.739 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 71771021 XPKMLDNOAPHRJC-ZDUSSCGKSA-N 378.454 1.615 0 50 GDAA CO[C@@H](CN)CC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 262970138 XLAQHFVPEOBATA-APWZRJJASA-N 376.478 1.660 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H]1CCOC1)C(=O)N(CCc1ccccn1)C2 71753559 XUMCYOQBONXBRJ-CQSZACIVSA-N 396.447 1.336 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)CN3CC[C@H](N(C)C)C3)CC2)OC1=O 77518662 WVERWKAHKLEPPL-KRWDZBQOSA-N 380.533 1.482 0 50 GDAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)C1 263417296 KHIDPGZJJGXMCP-CYBMUJFWSA-N 388.445 1.816 0 50 GDAA Cc1ccccc1CCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 175918852 AEVWHUVGMVBAGF-UHFFFAOYSA-N 391.493 1.626 0 50 GDAA CCOc1ccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)cc1OCC 20177280 GVDUANDDSIDWIK-UHFFFAOYSA-N 388.424 1.904 0 50 GDAA Cc1ccn(CCN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 82099655 GHWYWJSNIDMJKT-LJQANCHMSA-N 389.544 1.227 0 50 GDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(N)n[nH]4)C3)C2)c1OC 426488115 DTXKNKKZBRNMMW-NRFANRHFSA-N 399.495 2.137 0 50 GDAA O=C(Nc1nccs1)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 226933118 XUJJEWZIAQHWSJ-HHEAZKOWSA-N 397.412 1.797 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1O)c1ccccn1 426582702 ADEAVWHSMGQDMO-IEBWSBKVSA-N 391.431 1.273 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cncnc2C)CC1 96152084 DZJMYIDIUAOEFU-GOSISDBHSA-N 376.501 1.765 0 50 GDAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)n[nH]1 95388354 VPBSUVBHZUIPHO-UHFFFAOYSA-N 377.470 1.608 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2csc(-c3ccncc3)n2)C[C@@H]1CO 91725292 MMXMRLARCYKEST-HZPDHXFCSA-N 390.509 1.464 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N4CCNC(=O)C4)csc3C2)nc1 426509345 IMQURYQZEMGULS-UHFFFAOYSA-N 384.505 1.836 0 50 GDAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NC[C@H](C)N)c1 95505305 RBAUUSFLBOGGKL-ZDUSSCGKSA-N 375.469 1.552 0 50 GDAA CN(CC(=O)N1CCOCC1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 95506072 JZUFQKXSFOWPNH-IBGZPJMESA-N 377.504 1.871 0 50 GDAA COCc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)o1 95366438 UEFHSASDKWOJOT-CQSZACIVSA-N 384.440 1.819 0 50 GDAA COc1ccc(CN(C)CC2CC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 95496894 QGEOVPCFVNZZDJ-LJQANCHMSA-N 377.529 1.524 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C2 95506769 KDAHYGJXXMLPCR-LLVKDONJSA-N 394.424 1.463 0 50 GDAA CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(F)c(F)c1 95921766 JNOAITJKGMPZHC-CYBMUJFWSA-N 379.315 1.668 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cn2)C[C@H](C)O1 298398891 GOHMUSWNCSFKJX-STQMWFEESA-N 390.465 1.595 0 50 GDAA CN(Cc1ccccc1)C(=O)CCN1CCN(c2ccnc3nncn23)CC1 252480011 BRORWBWQFLKMAD-UHFFFAOYSA-N 379.468 1.295 0 50 GDAA COc1ccccc1N1CC[C@@H](NC(=O)Nc2cccc(OCC(N)=O)c2)C1 268368609 LRKSZRYSSIFPSA-OAHLLOKOSA-N 384.436 1.960 0 50 GDAA CCCCN1CCn2nc(CNC(=O)[C@H]3CCCCN3C(=O)OC)cc2C1 299781564 DQLWYWRENDJBBQ-QGZVFWFLSA-N 377.489 1.736 0 50 GDAA CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSCc2ccco2)cc1 864097595 XYYGVGYTCJDDKJ-UHFFFAOYSA-N 382.463 1.654 0 50 GDAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 952892368 GWPROGPBUIUZGV-AWEZNQCLSA-N 399.426 1.520 0 50 GDAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1N=c1[nH]c(C2CC2)ncc1Br 1875399337 WIVQUFJCQSKRQA-LERXQTSPSA-N 378.274 1.987 0 50 GDAA C=CC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CN(C(C)=O)CCO1 1875386497 RUKUFOZJOWHOQV-QGZVFWFLSA-N 393.871 1.218 0 50 GDAA CCn1nc(C(=O)N2CCN(C3CCOCC3)CC2)c2c1[C@H](C)O[C@H](C)C2 1875402537 IUZMKUOAKQVOJU-CABCVRRESA-N 376.501 1.862 0 50 GDAA CCCC[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CCCCC1 1775992254 QHQMABYYOSISRD-SJLPKXTDSA-N 395.544 1.853 0 50 GDAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O 408469529 SHBSZFAGVYCQCD-YRXWBPOGSA-N 392.521 1.992 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(F)cc(N2CCOCC2)c1 194804561 YJYKUHVAVZPPHR-UHFFFAOYSA-N 398.394 1.304 0 50 GDAA Cc1ccc(N2CCC(N[C@@H]3C[C@H]4C(=O)NCC(=O)N4C3)CC2)cc1Cl 1506417360 QPJNNFOCIVKRAF-PBHICJAKSA-N 376.888 1.306 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704278281 NUULNDVARUWDSP-SJLPKXTDSA-N 393.447 1.911 0 50 GDAA Cc1ccc(-c2ccc(CN3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)o2)cc1 1704351711 QQZZRYYGFFGBLK-WMZOPIPTSA-N 378.494 1.939 0 50 GDAA O=C1CCc2cc(S(=O)(=O)N[C@H]3COC[C@H]3Cc3ccncc3)ccc2N1 1704330076 WFHYJDSUHVINDA-QAPCUYQASA-N 387.461 1.502 0 50 GDAA CCOc1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(CO)C2)ccc1Cl 1772704262 QANKMTAXGBFTKR-MLGOLLRUSA-N 375.874 1.758 0 50 GDAA CCn1cnnc1CN1CCCN(C(=O)CCn2cnc3ccccc32)CC1 1772814409 XPUKQOZOWVTNSY-UHFFFAOYSA-N 381.484 1.772 0 50 GDAA CCOc1cccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)c2cn(C)cn2)C3)c1 1772701254 KTHGPQYPDOKSAD-MSOLQXFVSA-N 384.480 1.792 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)c(F)c1 11820746 PTVYCFOKIRWUCC-GOSISDBHSA-N 386.427 1.236 0 50 GDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNC3CCC3)c2)CC1 11946600 PIFVYUDPUPCPQR-LJQANCHMSA-N 376.497 1.953 0 50 GDAA Cc1c(C(=O)N(C)C[C@@H](O)CO)sc2ncnc(NCc3ccco3)c12 14996771 MHUWYSQNUXKTEK-LLVKDONJSA-N 376.438 1.630 0 50 GDAA O=C(NCCCc1cccnc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19335964 FAVUDMXUAUQULK-IBGZPJMESA-N 388.512 1.091 0 50 GDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)o2)c1C 1857669568 XPKLUYAEQLECEF-YVEFUNNKSA-N 395.437 1.398 0 50 GDAA CN1CC[C@]2(C(=O)NCCCn3ccnc3)CCCN(Cc3nccn3C)[C@H]2C1 1857686050 GAETVYCBSXDWCW-GHTZIAJQSA-N 399.543 1.109 0 50 GDAA O=C(/C=C/c1ccccc1)N1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 1857686272 OJZLMAZEHIHRTI-WMWRJIBUSA-N 384.476 1.956 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O)c1cnoc1-c1ccccc1 1857691637 TUXXPWMEHOKCIS-CGTJXYLNSA-N 399.447 1.460 0 50 GDAA O=C1C[C@H]2[C@H](CCN2C(=O)Cc2ccc(F)cc2F)N1CCCn1ccnc1 1857699517 REXJKHFJRIMLSW-ROUUACIJSA-N 388.418 1.996 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)N2CCCCC2)C[C@@H]1O)c1cn(-c2ccccc2)nn1 1857705154 VGTHQIIIGWCUHI-IEZWGBDMSA-N 397.479 1.539 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cccc(Cl)c3)[C@H]3CC[C@]2(C1)O3 1857710438 XPQVOUJSBMCITP-WFXMFSGNSA-N 377.872 1.295 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1CC(=O)N(c3nc4ccccc4s3)C1)C2 1857729242 BCGASGDUBZRVKT-NSHDSACASA-N 395.444 1.996 0 50 GDAA COc1cc(CCC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc(OC)c1OC 1875243906 DBFLWPJOXQFRIR-UZLBHIALSA-N 390.436 1.205 0 50 GDAA Cc1ccn2c(C(=O)N3C[C@@H](O)[C@H](Cc4ccc5ccccc5n4)C3)nnc2n1 1875250046 TWAZPBCQARJZOV-CRAIPNDOSA-N 388.431 1.657 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(-c3ccccc3)on1)C2 247525014 MTCOFJNOTWLOKM-HIFRSBDPSA-N 375.450 1.838 0 50 GDAA O=C(N[C@@H]1CC[C@H](C(=O)NC2CCC2)C[C@H]1O)c1cc2c(nc1O)CCCC2 2100483990 XEUGQAYCJNXYQO-MORSLUCNSA-N 387.480 1.594 0 50 GDAA Cc1ccc([C@H](CNC(=O)C2=NN(C(C)C)C(=O)CC2)N2CCOCC2)cc1 2325723349 CGHIHWLLBQPEOZ-IBGZPJMESA-N 386.496 1.871 0 50 GDAA Cc1nonc1CC(=O)NCCN(C(=O)c1ccc(-c2cn[nH]c2)cc1)C1CC1 2325786979 QOEWLAMNECBYTI-UHFFFAOYSA-N 394.435 1.732 0 50 GDAA CCCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 2325793990 NLHSGGFUSAXJTP-CVEARBPZSA-N 380.533 1.082 0 50 GDAA Cc1cccc(CNC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)n1 2325886748 HKZZFARZTSLJTJ-QGZVFWFLSA-N 392.415 1.081 0 50 GDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CCO)C3)c3cccc(=O)n32)c1 2356143550 MLLLDZLYPMVKIV-UWVAXJGDSA-N 382.460 1.969 0 50 GDAA COCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 10104926 VCTZISPOOOFHDK-UHFFFAOYSA-N 383.452 1.702 0 50 GDAA CCOC(=O)Cn1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 10233573 OWBBCUNBYQAHSH-UHFFFAOYSA-N 375.429 1.067 0 50 GDAA CCn1c(C2CCN(C(=O)c3cc(-c4cnn(C)c4C)[nH]n3)CC2)n[nH]c1=O 67692723 LLVNDDIQPVTTJC-UHFFFAOYSA-N 384.444 1.043 0 50 GDAA O=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@@H]1COCCO1)CC2 67786249 UZJCZIHCEIZNIN-SFHVURJKSA-N 399.447 1.514 0 50 GDAA CC(=O)Nc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2cccnc2)cc1 67820273 TVRMVAONNSEDDW-GOSISDBHSA-N 379.420 1.984 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)C1 65364365 MZAYHXLYARHHQI-MRXNPFEDSA-N 394.541 1.439 0 50 GDAA Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)NN1CCOCC1 2780328 HZKDZAAJPDUUTB-UHFFFAOYSA-N 385.184 1.726 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N(C)C[C@@H]3CCc4nccn4C3)ccc21 328625002 KFVMMWFJCALMEH-HNNXBMFYSA-N 388.493 1.675 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 253428597 MKPMTWXDGMYOTF-UHFFFAOYSA-N 398.419 1.350 0 50 GDAA COCCCN(C(=O)Nc1c[nH]nc1-c1nccs1)[C@H]1CCS(=O)(=O)C1 446390408 IKGITQZIBMSDLD-NSHDSACASA-N 399.498 1.591 0 50 GDAA Cc1ccc(NC(=O)NC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1C 333487552 UHLZVELUWTYNSH-DLBZAZTESA-N 393.509 1.993 0 50 GDAA CNC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 237235904 MSQCLYAGOUEGRG-ZWKOTPCHSA-N 393.553 1.854 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)cc1 77287859 BUQFWNHYSVXSQY-MRXNPFEDSA-N 375.469 1.090 0 50 GDAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCO[C@@H](C(F)(F)F)C3)cc12 71745369 SCVZHGRJBYMMJW-CYBMUJFWSA-N 376.356 1.788 0 50 GDAA CN(Cc1nccn1C)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 71736426 WNPINPOSYHEGAK-UHFFFAOYSA-N 377.452 1.258 0 50 GDAA CNC(=O)CC1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 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O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCC2(C1)[C@H](O)C[C@H]2O 1875310397 OPQSOUMMZJMLMZ-ZIAGYGMSSA-N 387.402 1.515 0 50 GDAA C[C@@H]1CC2(CCN(c3ncnc4c3CCC4)CC2)CN1C(=O)c1cnc(O)n1C 1875326998 OIVZFGLFRFKQJE-CQSZACIVSA-N 396.495 1.926 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)c2ccc(-n3cccn3)cc2)C1 1875389132 DFBFWQMWKAPYHG-UHFFFAOYSA-N 377.404 1.902 0 50 GDAA Cc1cc(O)ncc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397720 LJBWLWDWZOQRCK-MRXNPFEDSA-N 384.484 1.573 0 50 GDAA CNC(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875402659 JJHPNGWJLZARCM-HFBAOOFYSA-N 376.844 1.466 0 50 GDAA Cn1cc(CN[C@@H]2CCN(c3cc(O)nc(O)n3)C2)c(-c2cccc(F)c2)n1 1875400420 ZDANRXRKJIUHHW-OAHLLOKOSA-N 384.415 1.796 0 50 GDAA NC(=O)COC1CCN(c2nnc(-c3cc[nH]n3)n2CCc2ccccc2)CC1 1330975322 WFYWOEPCDNFOEQ-UHFFFAOYSA-N 395.467 1.382 0 50 GDAA C[C@@H]1[C@H](NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CCS1(=O)=O 1468385663 FZGZMLNHNBWLLU-UKRRQHHQSA-N 399.476 1.795 0 50 GDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CNC(=O)C4)o2)c1C 1506429099 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CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 201804026 NXGXFAKJUWEFEC-NPQLIOMISA-N 399.443 1.908 0 50 GDAA biogenic CS(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)cc1 1857684803 DSHLFTQPGGCSQQ-MJQMVNBJSA-N 392.521 1.453 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-n3ccnc3)cc2)[C@H]1c1cnn(C)c1 1857690892 TYHZVGLLJQTFDJ-PMACEKPBSA-N 394.479 1.750 0 50 GDAA CCN1CCC[C@H]1CNC(=O)C1(OC)CCN(c2ccc(C(=O)O)cn2)CC1 1857700113 NJEKFYTUSXMVRT-INIZCTEOSA-N 390.484 1.366 0 50 GDAA CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncc(Cl)c3)[C@H]3CC[C@]2(C1)O3 1857710274 OLYGWUBKKZGKMI-LUXYFRNMSA-N 378.860 1.674 0 50 GDAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cn2c(n1)CCNCC2 1857718656 ZJJGQKKWDRUGHC-UHFFFAOYSA-N 379.468 1.853 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4CC[C@H](O)[C@@H](N(C)C)C4)CC3)nc2n1 1857730548 RCKYRKAYQUMCBA-HOTGVXAUSA-N 387.484 1.271 0 50 GDAA O=C(c1cc(-c2ccccn2)[nH]n1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857735041 DXHHOCQBYIUCHZ-GFACEEGYSA-N 390.443 1.681 0 50 GDAA O=C(c1ccncc1)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 207137916 BBZXZUPGSQYONC-PMACEKPBSA-N 384.455 1.618 0 50 GDAA CCN1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)nc(O)nc1O 750853857 LBIWQSPEQVRGHV-HNNXBMFYSA-N 379.505 1.003 0 50 GDAA C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 266305830 SDZYARCOUWJNAH-DOTOQJQBSA-N 398.467 1.141 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(O)n1 2100473655 RRHDJEMZUZAZAS-QYWGDWMGSA-N 387.480 1.996 0 50 GDAA Cc1ncc(CN2C[C@@H](CC(=O)NCCc3cc(C)[nH]n3)OCC23CCC3)cn1 2325785227 KYOKRRRTWILGOZ-LJQANCHMSA-N 398.511 1.689 0 50 GDAA COc1cc(-c2onc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2C(=O)O)ccc1F 2356160083 CKIFJEOKMQRZAY-JSGCOSHPSA-N 377.372 1.707 0 50 GDAA CN(C)C(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)CC2=CSC3=NCCCN23)C1 102652725 SHYMSHRVXJSPTG-CABCVRRESA-N 377.514 1.535 0 50 GDAA COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)C(C)C 170625459 XHKPFAKMWPULQY-KRWDZBQOSA-N 377.828 1.878 0 50 GDAA COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)CN1CCOCC1 20028135 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CC(C)C(=O)N1CCC[C@H](n2ccnc2-c2cnc(N3CCOCC3)nc2)C1 77321096 XXPZGFSQZIFDLK-KRWDZBQOSA-N 384.484 1.996 0 50 GDAA CCc1nsc(N2CCN(CC(=O)N[C@H]3CCOc4ccccc43)CC2)n1 174326141 PXLNLXBEKKKLAO-HNNXBMFYSA-N 387.509 1.863 0 50 GDAA CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cnc[nH]c1=O 82096434 AMEJNJMALNMIGL-CQSZACIVSA-N 384.436 1.826 0 50 GDAA CC(=O)N1CCN(C(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H](O)C1 426684346 BKSRRDVHJFKDMX-MRXNPFEDSA-N 391.859 1.465 0 50 GDAA CCc1nccn1CCC(=O)N1CC[C@](O)(CN2CCOCC2)C(C)(C)C1 91665438 HDXDKYBSRZCLEY-FQEVSTJZSA-N 378.517 1.157 0 50 GDAA CCn1nccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1 95526224 LEYGLFHWUIODMW-AWEZNQCLSA-N 377.470 1.129 0 50 GDAA CC[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C(=O)NC 95509403 VBMBMRBGDREDBM-GOSISDBHSA-N 387.480 1.721 0 50 GDAA CC(=O)N1CCC(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)CC1 95378327 RCLNTQBCSIHQHD-SFHVURJKSA-N 375.517 1.409 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)C(C)=O)CC1 95527939 XSJBESIPTMTONN-UHFFFAOYSA-N 378.425 1.030 0 50 GDAA Cc1cc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)nc(N)n1 96152653 JVTUFVTUPTXAJA-UHFFFAOYSA-N 380.460 1.317 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c2cccc(C)c2n1 97716815 NPWCVJFQIIYSKC-CQSZACIVSA-N 377.466 1.242 0 50 GDAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOC[C@H](O)C2)c1 95354538 SSLQEWUYIBJNQT-MRXNPFEDSA-N 376.434 1.321 0 50 GDAA CC(C)=CCN1CC2(CCN(C(=O)CSc3n[nH]c(N)n3)CC2)CC1=O 95368649 NEXIKIWICWLWFY-UHFFFAOYSA-N 378.502 1.286 0 50 GDAA O=C(NCCc1ccncc1)c1cccc(S(=O)(=O)NCc2ccon2)c1 95362643 ASKYGGRHUHMWED-UHFFFAOYSA-N 386.433 1.521 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 96138246 FEGIXSWEZICXCI-UHFFFAOYSA-N 388.472 1.076 0 50 GDAA CCc1nccc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 96160290 AEPVGUJNFYQWBW-UHFFFAOYSA-N 385.516 1.379 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc3c(s2)CCCC3)c1 91562810 FZFQJTGDFPLRFQ-UHFFFAOYSA-N 383.470 1.781 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 95509286 WXTGCCZNPIRVQN-AWEZNQCLSA-N 384.484 1.309 0 50 GDAA C[C@H](C(=O)Nc1nnc(-c2cccnc2)s1)n1nnc2ccccc2c1=O 252489023 JDUNHUZZXOMKPH-SNVBAGLBSA-N 379.405 1.905 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1nnnn1-c1ccccc1 584886701 ZREYHZLOHRGWHV-UHFFFAOYSA-N 380.456 1.996 0 50 GDAA CCC(CC)c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875324181 KUZSFTIDFAXVME-QGZVFWFLSA-N 381.436 1.932 0 50 GDAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)c1ccc3c(c1)C(C)(C)CO3)C2 1875393105 GJNSREZURRHLQW-INIZCTEOSA-N 393.491 1.731 0 50 GDAA CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1C 1875342060 VVLYYTBJCFPKEW-CZUORRHYSA-N 385.486 1.666 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)c2coc3c(Br)cccc23)C[C@H]1O 1875403916 KUFZGTGSFPAJFY-NOZJJQNGSA-N 381.226 1.764 0 50 GDAA Cc1ccnc(N2CCC(N3C(=O)N[C@H]4CN(C(=O)C(C)C)CC[C@H]43)CC2)n1 888103686 TVOIHQZWJAYVEQ-DLBZAZTESA-N 386.500 1.405 0 50 GDAA O=C(O)[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1C(=O)O 275189243 XNUUHRQLAOCNGV-BDAKNGLRSA-N 399.318 1.641 0 50 GDAA CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cccnc2N2CCOCC2)C1 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377.491 1.267 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@H]2CNC[C@@]2(CN(C)C)C1 1772805057 XLLAOPMMPKCHIO-DNVCBOLYSA-N 376.526 1.347 0 50 GDAA Cc1cnc(C(=O)N2C[C@H]3CN(c4ncccc4F)C[C@]3(CN(C)C)C2)cn1 1772804167 IGDKMLIEJSPGIG-FOIQADDNSA-N 384.459 1.459 0 50 GDAA CN1CC[C@]2(C(=O)NCc3cccnc3)CCCN(C(=O)c3cccn3C)[C@H]2C1 1775982037 GQZZYSBBTYKZNH-SIKLNZKXSA-N 395.507 1.663 0 50 GDAA O=C(O)c1cnc(N2CCCN(C(=O)CCCn3cncn3)CC2)c(Cl)c1 1772815379 JZRVKHPEMZXGCJ-UHFFFAOYSA-N 392.847 1.544 0 50 GDAA CCN(CCn1cccn1)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12716276 SJSWPPXPUISENE-HNNXBMFYSA-N 382.424 1.477 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCC3CCOCC3)cc2)CC1 12716384 RNHMMLDPIOYVFO-UHFFFAOYSA-N 390.480 1.859 0 50 GDAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@H]1CC(=O)N1CCCCO1 14979218 JWXJBPCCVDPAOO-HNNXBMFYSA-N 385.386 1.950 0 50 GDAA O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@H]1CO 15062182 KQMCKZKSXNSCLD-HNNXBMFYSA-N 388.443 1.733 0 50 GDAA COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(CCO)CC1 169681422 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GDAA COCCNC(=O)c1cn(C2CCN(C(=O)c3ccccc3F)CC2)nn1 14991201 FTGXFJXRUZCMLY-UHFFFAOYSA-N 375.404 1.271 0 50 GDAA O=C(O)c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 262779027 MBNRLYMVPBHOSC-INIZCTEOSA-N 380.466 1.851 0 50 GDAA O=C1C[C@@H]2CCCCN2CCCCN(C(=O)c2ccn3ncnc3c2)CCCN1 2100534414 HGIRQHXYBLRJKD-SFHVURJKSA-N 398.511 1.716 0 50 GDAA O=C(C[C@H]1CCN(CC(F)(F)F)C1)Nc1cnn(CCN2CCCC2=O)c1 2325790959 AALOYUNZCHRPTO-CYBMUJFWSA-N 387.406 1.718 0 50 GDAA CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 2325806836 JXDZCXXMIFMDEM-CABCVRRESA-N 387.463 1.385 0 50 GDAA COCCN1CCC[C@]2(CCCN2Cc2cc(=O)n3ccsc3n2)C1=O 2356147150 KBXGXDBYDJJZHG-SFHVURJKSA-N 376.482 1.359 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1Oc1cccnc1 2356169475 RRSLKKLLJJSTTL-UHFFFAOYSA-N 391.449 1.499 0 50 GDAA O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NC1CCCC1 4142119 PTFDOLWJHKUXFE-UHFFFAOYSA-N 386.843 1.749 0 50 GDAA CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 4731696 HDTXYRFHYFEMLE-AWEZNQCLSA-N 387.461 1.976 0 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WMSOIRKXMQIHNJ-NSHDSACASA-N 380.374 1.781 0 50 GDAA CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2nnc3ccccn23)CC1 154666685 WVEWTQIXFLZNFR-HNNXBMFYSA-N 393.513 1.399 0 50 GDAA CNC(=O)CCN1CCn2nc(CN3CCO[C@H](c4ccccc4)C3)cc2C1 72480775 MMXFNDJBYJVHTR-FQEVSTJZSA-N 383.496 1.408 0 50 GDAA CC(C)n1cnnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 72134368 JLXIZMUXCYYNPN-QGZVFWFLSA-N 390.532 1.588 0 50 GDAA COc1ccccc1[C@@H]1CN(C(=O)c2cnc(O)cn2)[C@@H]2C3CCN(CC3)[C@H]12 72167454 WSPNDJYQPMHIKL-CWFSZBLJSA-N 380.448 1.893 0 50 GDAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 238091323 RMIVFSKMXKGQEA-OAHLLOKOSA-N 385.386 1.903 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(CCC(=O)O)cc1 262053829 ALLLHVPPXXEIMG-LLVKDONJSA-N 395.437 1.614 0 50 GDAA Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 173194059 YHAXSZHRSMHTLX-UHFFFAOYSA-N 375.392 1.727 0 50 GDAA Cn1cc(N2CCC[C@H](NC(=O)CCN3CCN(c4ccccc4)CC3)C2)cn1 173246920 YVKRADYJMPLHSY-IBGZPJMESA-N 396.539 1.717 0 50 GDAA CN1C(=O)[C@](CC(=O)NCc2nnn[nH]2)(Cc2ccccc2)c2ccccc21 71752818 QHKKLWGPTGLBFN-FQEVSTJZSA-N 376.420 1.363 0 50 GDAA O=C(CN1CCCS1(=O)=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 285637718 DDIFPTGXOXDCEN-IBGZPJMESA-N 377.510 1.147 0 50 GDAA CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 82230311 CUJGJDRMUAZVDX-UHFFFAOYSA-N 397.516 1.578 0 50 GDAA CN1CCN(CC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 20366824 STXSDHUCILLBOE-UHFFFAOYSA-N 387.933 1.103 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)[C@H]3CCc4ccccc4O3)cc2C1 91616857 LJPHLJJDWCEMPW-GOSISDBHSA-N 383.452 1.390 0 50 GDAA CCn1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 91908544 WMTGNOQQHXNHSY-FQEVSTJZSA-N 384.484 1.714 0 50 GDAA O=C(Nc1cc(C(=O)N2CCCC2)ccc1Cl)N1CCS(=O)(=O)CC1 96164019 SCVZVCGKOZONCF-UHFFFAOYSA-N 385.873 1.838 0 50 GDAA Cc1nnc(SCCNC(=O)c2cc(S(N)(=O)=O)ccc2F)s1 91364627 WZYSGIRMHWHGOB-UHFFFAOYSA-N 376.460 1.155 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1ccccn1 91915033 ADSLVFUHZRDTND-NRFANRHFSA-N 379.464 1.959 0 50 GDAA COc1ccc2c(C)c(C(=O)N3C[C@H](CO)[C@H](CN(C)CCO)C3)oc2c1 91678100 NTUSHGAXGPIWFS-HUUCEWRRSA-N 376.453 1.354 0 50 GDAA COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CC2 585390650 ZVMYCBHCYHMWJT-CQSZACIVSA-N 378.450 1.535 0 50 GDAA Cc1cccc(N2CCC(NC(=O)CN3CCN(c4ncccn4)CC3)CC2)c1 670459266 BSZXOPNWPKPMIT-UHFFFAOYSA-N 394.523 1.692 0 50 GDAA CO[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)NCc1cocn1 864097572 WOYLMQMRYPRAPS-HOTGVXAUSA-N 395.437 1.130 0 50 GDAA Cc1ncc2n1CC[C@@H](C(=O)N1CC(N3CCN(C(=O)C(C)(C)C)CC3)C1)C2 1875312758 UCFBFGZFUIICMY-MRXNPFEDSA-N 387.528 1.155 0 50 GDAA CC[C@H](O)c1cn(Cc2ccc(C(=O)N(CCO)Cc3ccccc3)o2)nn1 1875317843 KFSSUGIUJBXWGD-SFHVURJKSA-N 384.436 1.998 0 50 GDAA CCCc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@@H]2O)cc(O)n1 1875308187 TWZPEVXHGOGPEY-MSOLQXFVSA-N 398.463 1.367 0 50 GDAA CCc1nc(C)c(C(=O)N2CCOC3(CCN(Cc4ccnn4C)CC3)C2)o1 952971772 LDNKYTOFKPGENA-UHFFFAOYSA-N 387.484 1.786 0 50 GDAA Cc1nc(C(=O)NC2(CO)CC3(CCC3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404507 LCXLUCCPXNZNOJ-MRXNPFEDSA-N 387.528 1.659 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)N(C)C[C@H]1CCCN(CCO)C1 952870048 QUYVIMMCAGHOAL-MRXNPFEDSA-N 379.526 1.900 0 50 GDAA CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H](n2ccnn2)C1 886075139 CDOGRBADPKYCCK-ZDUSSCGKSA-N 378.458 1.397 0 50 GDAA COC(=O)NCC(=O)NC[C@]1(C)CN(c2nc3cccc(F)c3s2)CCO1 1775992146 PXUQXSMQGMYSQE-QGZVFWFLSA-N 396.444 1.503 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)C1 1506402818 MBRFTLYMLRFAPD-CQSZACIVSA-N 387.527 1.109 0 50 GDAA Cc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)C(=O)N2CCOCC2)CC1 1529117905 DJOPZEJQGWEOND-UHFFFAOYSA-N 393.871 1.182 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C[C@H]2O)on1 1529106423 ORBONGPWGPWJGM-YLJYHZDGSA-N 384.480 1.410 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615739739 NTYIHDVDJPIWSW-IRXDYDNUSA-N 377.466 1.738 0 50 GDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)O 5027786 OFVVSBCFTDOPAP-CYBMUJFWSA-N 384.772 1.613 0 50 GDAA CN1CCC(N2CCC[C@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)CC1 11843434 LZKIFZJBPZACEG-SFHVURJKSA-N 384.524 1.707 0 50 GDAA O=C(Nc1ccc2c(c1)CN(S(=O)(=O)N1CCCCC1)CC2)[C@H]1CCCO1 12076757 JVHWWJBLPYHWKD-GOSISDBHSA-N 393.509 1.893 0 50 GDAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)CCc3cccnc3)CC2)nn1 12149392 JOQADNWTYBABAM-UHFFFAOYSA-N 384.484 1.855 0 50 GDAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(C)C)C(=O)N2C1 14541920 QXZOVYFQSGOLAJ-TUKIKUTGSA-N 378.860 1.894 0 50 GDAA NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 3965881 VUKJGAVIWMPOOJ-FOIQADDNSA-N 390.399 1.455 0 50 GDAA in-vitro CCc1nnc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)s1 1857667575 JMGLROXQGMJNGR-INIZCTEOSA-N 399.520 1.798 0 50 GDAA O=C([C@H]1C[C@H](O)C1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857693232 NRQTWFKROUYAIB-GXZWQRSESA-N 380.448 1.822 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3ccc(OC)cc3)CC2=O)s1 1857700672 ZZJIIJRKMXCJPV-LBPRGKRZSA-N 376.438 1.362 0 50 GDAA COCCn1nnc([C@H]2CN(Cc3c(C)nn(-c4ccccc4)c3C)CCO2)n1 1857724815 FECLPUCDIXFEJT-LJQANCHMSA-N 397.483 1.696 0 50 GDAA CN=c1[nH]c(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)cs1 1857737946 KSZFXFHGFIKSJP-YJBOKZPZSA-N 379.457 1.174 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c(C)o1 262035141 PRVCFSHZLDELHJ-HNNXBMFYSA-N 397.884 1.936 0 50 GDAA C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](N)C1 158509299 JJTJPQGWAHQSKU-YPMHNXCESA-N 389.315 1.809 0 50 GDAA CC(C)C(NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O)C(C)C 2325898254 YKBWIYQFDJTBMJ-HNNXBMFYSA-N 399.447 1.498 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OCO2 2208518 ZIOWDFIXKJEPAE-HNNXBMFYSA-N 396.403 1.776 0 50 GDAA CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC 5025556 NRDASRJESYTZPU-UHFFFAOYSA-N 383.495 1.866 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 9157011 XGVZHWJSVIYGAT-UHFFFAOYSA-N 383.452 1.702 0 50 GDAA Cc1ccc(CNC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)o1 9688724 JATQANKKMVTDJO-UHFFFAOYSA-N 380.470 1.522 0 50 GDAA Cc1ccc(C)c(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1 12231317 FGTIYNLTBKUQJM-UHFFFAOYSA-N 378.436 1.891 0 50 GDAA C[C@@]1(C(=O)NCCCN2CCOCC2)CC1(Br)Br 19840605 SUUXSWFRVDXLEC-NSHDSACASA-N 384.112 1.721 0 50 GDAA COc1cccc(N2CCN(C(=O)c3cnc4ccccn4c3=O)CC2=O)c1 20573202 MZSHUSJWPICOLM-UHFFFAOYSA-N 378.388 1.192 0 50 GDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 20920201 KBVNDJRMDHIHBV-INIZCTEOSA-N 399.495 1.932 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 21795852 PTAQTJMSPORMOO-UHFFFAOYSA-N 398.467 1.976 0 50 GDAA CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(Br)cc2)CC1 32594119 GOFQTEWOYCUWGV-CYBMUJFWSA-N 390.347 1.753 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C)s3)n2)c(F)c1 49551035 RGAJUQSWMDUHND-UHFFFAOYSA-N 375.385 1.857 0 50 GDAA CCn1ncc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1C 65394361 VJMGPOFGVWKUAQ-LSDHHAIUSA-N 393.465 1.479 0 50 GDAA CCN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(c2ccnc(N)n2)C[C@H]1O 71498937 RVMMBOHINZPQJP-ZIAGYGMSSA-N 377.395 1.439 0 50 GDAA NC(=O)c1ccc(-c2nc3c(c(N4CC(n5cccn5)C4)n2)CCNC3)cc1 71764658 OPZYDMXKWJIWFE-UHFFFAOYSA-N 375.436 1.146 0 50 GDAA CC(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(C(=O)CCC(=O)c1ccccc1)C2 72410860 WTFKJRKMJZTUMN-QGZVFWFLSA-N 386.448 1.964 0 50 GDAA O=C(CCc1cc2n(n1)CCNC2)NC[C@H](c1cccnc1)N1CCCCC1 72435049 HOHREWKTSZACIL-HXUWFJFHSA-N 382.512 1.657 0 50 GDAA O=C(COc1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 82230551 FECVXEIHMQJOSS-UHFFFAOYSA-N 383.452 1.041 0 50 GDAA CCNc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)cn1 92061763 PEJIDSSSIYPDJT-LJQANCHMSA-N 375.473 1.400 0 50 GDAA O=C(CCN1CCOCC1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95368471 DXYBOYNSBKIWFC-GHTZIAJQSA-N 383.536 1.799 0 50 GDAA Cc1nccn1CCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95378785 JJPUBEOWRZZTAT-INIZCTEOSA-N 382.472 1.361 0 50 GDAA COCCNC(=O)c1cccc(S(=O)(=O)NCc2cnc(C)cc2C)c1 95388924 FINLDFVLFWFADV-UHFFFAOYSA-N 377.466 1.553 0 50 GDAA O=C(CCC1CCN(C(=O)[C@@H]2C=CCN2)CC1)Nc1ccc2c(c1)OCCO2 95505085 PXGQBISZKKQDEC-KRWDZBQOSA-N 385.464 1.943 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 95520224 SRBPBSFKHUAFAK-INIZCTEOSA-N 378.436 1.778 0 50 GDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2 95522564 KVGJXRDBNBURRS-UONOGXRCSA-N 384.436 1.492 0 50 GDAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCn2cncn2)CC1 96166905 LVIZYXPFCJMUHA-UHFFFAOYSA-N 386.504 1.282 0 50 GDAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101072481 VPLJMMJJRRNISS-OHYFQZGNSA-N 382.416 1.997 0 50 GDAA CNS(=O)(=O)c1ccc(N[C@H]2CCCN(c3ccnn3C)C2=O)c(F)c1 170611248 WLVBIBYWZCYBMN-AWEZNQCLSA-N 381.433 1.075 0 50 GDAA Cc1ccc(Cn2cccc(NC(=O)C(=O)NCCN(C)C3CC3)c2=O)cc1 170690240 BEOHAVACZYTCFR-UHFFFAOYSA-N 382.464 1.354 0 50 GDAA CCCNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCS(C)(=O)=O)c2ccccc2O1 225476853 HMLWTKVBPFSGRC-BBRMVZONSA-N 397.497 1.313 0 50 GDAA O=C1O[C@@H](CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC12CCC2 241644167 POVDIIYWXBBTAH-CYBMUJFWSA-N 398.506 1.680 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[C@@H](C(=O)O)C2)cc1 262972856 KBNPLLHGAZYUEA-DZGCQCFKSA-N 397.497 1.894 0 50 GDAA CN(C)C(=O)COc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1 266958945 LEOKLZSDDZKLON-UHFFFAOYSA-N 375.469 1.090 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCc3nn(C)cc32)c1 282464904 KRQYIMLGFNWTBB-HNNXBMFYSA-N 377.470 1.870 0 50 GDAA Nc1ncc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c(-c2ccccc2)n1 299785126 JJPJABUWPMBUCS-JKSUJKDBSA-N 377.408 1.303 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1=O 328613975 UTTJIPPAUXDDRO-ZNMIVQPWSA-N 383.518 1.211 0 50 GDAA CCS(=O)(=O)c1ccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)cc1 363737757 LJXXDGCIBGWWGQ-UHFFFAOYSA-N 387.465 1.544 0 50 GDAA O=c1c2cccc(Br)c2ncn1CC1(O)CCS(=O)(=O)CC1 408062139 LUUCCWADHBKYAU-UHFFFAOYSA-N 387.255 1.099 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNc2cc([C@H]3CCOC3)ncn2)cc1 426706000 YTWKURBQDLEXJK-HNNXBMFYSA-N 376.482 2.069 0 50 GDAA C[C@H](C(=O)Nc1ccccn1)N1CCn2nc(CNC(=O)C3CCC3)cc2C1 426712839 XBIYRFARJGQCIG-CQSZACIVSA-N 382.468 1.537 0 50 GDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)NCCSc2ccccn2)C1 584893158 CIXJGEUVVOPNNH-CYBMUJFWSA-N 376.486 1.384 0 50 GDAA CCCc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)n[nH]1 655307989 NUDVVNXUWORTPJ-UHFFFAOYSA-N 376.482 1.945 0 50 GDAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCc2ccc4sccc4c2)[C@@H]3C1=O 670435016 QXIKWPWYIWEYJV-REGYPHIPSA-N 385.489 1.482 0 50 GDAA CN(Cc1nnc2ccccn12)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 919537153 SYSCDEHMFCLFMQ-UHFFFAOYSA-N 385.449 1.780 0 50 GDAA C[C@H]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C1 952845246 LAHLVTAQXXVTEA-RDJZCZTQSA-N 387.546 1.455 0 50 GDAA CCCNc1ncc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cn1 1073378224 LPROOCVAQWXSOV-HOCLYGCPSA-N 382.534 1.001 0 50 GDAA CCc1c(C)nn(CC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1C 1529099377 WLACYWWHSCGGII-HNNXBMFYSA-N 393.513 1.874 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCCN(C(=O)c2cncn2C)CC1 1529099590 CBGYFVMHAMWMSW-UHFFFAOYSA-N 395.507 1.856 0 50 GDAA CCn1ncnc1CN1C[C@H]2CN(C3CCSCC3)C[C@]2(CCC(=O)O)C1 1772813566 HTVDBOLUWODIKF-KXBFYZLASA-N 393.557 1.792 0 50 GDAA CC(C)n1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CC3CCC2CC3)nn1 1775992276 QJDABNGEKLMWAI-GQGLESIBSA-N 389.500 1.643 0 50 GDAA Cc1cccc(CN2CCOC3(CCN(c4nccc(=N)[nH]4)CC3)CC2=O)n1 1857690725 QHUZYCYLTJHETE-UHFFFAOYSA-N 382.468 1.381 0 50 GDAA O=C(NCCO)c1cc2c(s1)C1(CCN(Cc3ccncc3)CC1)OCC2 1857692338 ZSPXSUDFKQTKRD-UHFFFAOYSA-N 387.505 1.929 0 50 GDAA COc1cccc(C(=O)N2CCC[C@]3(C2)CN(c2ncccn2)CC[C@H]3O)c1 1857692717 QKCSIEAQHNCRMM-NQIIRXRSSA-N 382.464 1.979 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccccc3)C1)CC2 1857699017 FBBVYKZSECOTNC-IBGZPJMESA-N 388.493 1.917 0 50 GDAA CSCC(=O)N1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@@]2(CO)C1 1857702658 FXRPPVLDOMUJBO-QFBILLFUSA-N 377.510 1.054 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)COc2ccc(F)cc2)[C@H]1c1cnn(C)c1 1857709987 BRXQYSASBKDYKY-HKUYNNGSSA-N 376.432 1.468 0 50 GDAA COc1ccnc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(C)n4)C[C@]34CC[C@H]2O4)c1 1857712410 ONELRXOABDNRQS-LTVCHDBBSA-N 395.463 1.602 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3cnc(C)c(C)c3)CC2=O)s1 1857723485 IGUOPIBMXDQXMZ-CQSZACIVSA-N 389.481 1.756 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4ccc(F)c(F)c4)[C@@H]2CC(=O)N13 1857741130 DLAIRAPTUAMSAH-UXLLHSPISA-N 386.420 1.711 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@@H]1O)c1c[nH]c2ccccc12 1875248241 FQPTXPUBAFXIDU-AGRHKRQWSA-N 385.464 1.723 0 50 GDAA Cc1ccccc1CCC(=O)N[C@H]1C[C@H](C(=O)NCCc2cnn(C)c2)C[C@@H]1O 1875250110 YETQVFLPPGQGKK-UFYCRDLUSA-N 398.507 1.276 0 50 GDAA COc1ccccc1CCC(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1875251065 UQRZKDJFIZJBFJ-SQNIBIBYSA-N 389.496 1.064 0 50 GDAA Cc1nc(C(=O)N(C)CCc2ncccn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300114 LVBDPFZHPWDGIQ-MRXNPFEDSA-N 383.500 1.338 0 50 GDAA O=C(c1cc2[nH]c(-c3ccccc3)cc(=O)n2n1)N1CCN(C(=O)C2CC2)CC1 1875307195 WVOANAVOKMSYLU-UHFFFAOYSA-N 391.431 1.384 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 1875370844 FZCGKICVPYPEKT-WBVHZDCISA-N 397.454 1.940 0 50 GDAA CCc1cc(C(=O)NC[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C(C)C)nn1C 2325794271 WJXQFDGLGRXQNC-PXNSSMCTSA-N 375.517 1.339 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc(S(N)(=O)=O)c1C 2356154067 HBVHTMMBTGINAN-GOSISDBHSA-N 396.509 1.487 0 50 GDAA O=C([C@@H]1CCn2nccc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356165235 ZETFDTZRSYAOEX-QGZVFWFLSA-N 376.464 1.713 0 50 GDAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)C(C)C 55134403 SYSXGRKVVBUGRJ-INIZCTEOSA-N 383.439 1.539 0 50 GDAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1 249233070 KKHFXRZEDPUDAA-DAYGRLMNSA-N 387.480 1.945 0 50 GDAA CCOC(=O)CNc1ncc([C@H]2CC(=O)Nc3[nH]nc(-c4ccco4)c32)cn1 65529954 GYXSSRMKFMRIMR-LLVKDONJSA-N 382.380 1.909 0 50 GDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 366330206 NBGADVNRVSPCBN-WCQYABFASA-N 393.465 1.020 0 50 GDAA COc1nc2c(cc1CNC(=O)CSC)C(=O)N(CCc1ccccn1)C2 71755155 ZNPCVLHTPKBJDP-UHFFFAOYSA-N 386.477 1.663 0 50 GDAA CC(C)[C@H](NS(=O)(=O)c1cnn2c1OCCC2)c1nnc2ccccn12 333188516 RMJXBDDKYVXQLG-AWEZNQCLSA-N 376.442 1.384 0 50 GDAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 12836685 ZHSXUFMCBZQAAN-HNNXBMFYSA-N 395.504 1.619 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)ccc1F 454692228 LDFXZQMGDRCRLG-CYBMUJFWSA-N 396.448 1.541 0 50 GDAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)cc1OCCN 426674438 ZODRCFCCNNSYDZ-OAHLLOKOSA-N 386.452 1.501 0 50 GDAA Nc1cnc(-c2cccc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)c2)cn1 426620026 LBBOIMPNMDONFP-MRXNPFEDSA-N 375.436 1.915 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)NCc2ccc(-c3ncon3)cc2)cc1 426424233 JLYYDDBBWXIQGW-UHFFFAOYSA-N 375.392 1.880 0 50 GDAA Cc1cnn([C@@H](C)C(=O)N2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)c1 95352217 NTBPFNQGPALYRQ-SFHVURJKSA-N 389.544 1.935 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)COc3ccccc3)C[C@H]2CCCO)CC1 91846725 JFFKYWKOZBULLP-QUCCMNQESA-N 375.513 1.302 0 50 GDAA CCCCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC1 95529064 NHNJLHSVMOYMKY-KRWDZBQOSA-N 375.517 1.587 0 50 GDAA Cc1cc(C)c(CN2CCC3(CC2)NC(N(C)C)=NC3=O)c(-n2cccn2)c1 97742912 QFVVUNSHAPBVSZ-UHFFFAOYSA-N 380.496 1.871 0 50 GDAA O=C(COc1ccccc1Cl)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91781725 FFGCSINDNOPWPR-HUUCEWRRSA-N 382.888 1.242 0 50 GDAA CCOc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 91725234 TWCWBEHNAXJXIT-CTNGQTDRSA-N 389.540 1.936 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 91380912 CUCXCRMYOCDCQH-ZDUSSCGKSA-N 376.457 1.763 0 50 GDAA CC(=O)N1CCCN(Cc2ccccc2OC[C@@H](O)CN2CCCCC2)CC1 95529607 RWCUTUPNNNXJHO-NRFANRHFSA-N 389.540 1.966 0 50 GDAA Cn1cc(N2CCN(C[C@@H](O)COc3ccccc3C(F)(F)F)CC2=O)cn1 182252245 QLVMZLOGBMSPAT-CQSZACIVSA-N 398.385 1.527 0 50 GDAA COc1ccc(Cl)cc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 183555028 KWBCLDYMDMHKGY-UHFFFAOYSA-N 386.901 1.684 0 50 GDAA O=C(COc1ccc(-n2cnnn2)cc1)NCc1cnn(-c2cccc(F)c2)c1 670472621 IRFLLTQIQZJALA-UHFFFAOYSA-N 393.382 1.682 0 50 GDAA O=C(c1cncs1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 864096659 OTTPKEOVCRAYJF-UHFFFAOYSA-N 399.520 1.839 0 50 GDAA CNC(=O)NCCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 952888024 JQQFHOXXBCMFFA-KRWDZBQOSA-N 385.468 1.708 0 50 GDAA C[C@@]12CN(c3cc(N4CCCC[C@H]4CO)ncn3)C[C@]1(C)CS(=O)(=O)C2 872738419 KQPKYGMJAXGOSY-JCGIZDLHSA-N 380.514 1.089 0 50 GDAA CN1CN(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1=O 1875270247 AAGRVJCXIUSINE-GFCCVEGCSA-N 386.330 1.132 0 50 GDAA COC(=O)c1nccc(N2CC[C@@](C)(NC(=O)[C@H](OC)c3ccccc3)C2)n1 1875312354 LRPQCIZPNNPQPR-OXQOHEQNSA-N 384.436 1.736 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@@]12CCC[S@@](=N)(=O)C2 1875395781 LZELZDFCTYJLMT-HFJWLAOPSA-N 379.482 1.627 0 50 GDAA O=C(CN1CCCCCC1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952969151 SCFRFIWVOGKOFE-UHFFFAOYSA-N 375.469 1.739 0 50 GDAA O=C(CCC(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1)Nc1nncs1 952970758 WMTFDJSEWSGXMT-CYBMUJFWSA-N 379.486 1.508 0 50 GDAA CC(C)n1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)cn1 1775962796 GNUNVKLPOYYMMA-NVXWUHKLSA-N 398.511 1.970 0 50 GDAA O=C(Cc1cn2ccsc2n1)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565517061 PPWLAEPLQUNKNF-KBPBESRZSA-N 378.479 1.885 0 50 GDAA Cc1cc(C(=O)N2CC[C@H](Nc3ncccn3)[C@@H](O)C2)c2c(C)nn(C)c2n1 1565510721 SCTUYBNWJNTNFH-GJZGRUSLSA-N 381.440 1.063 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 1704315161 OUODBCJMPJWQLW-WMLDXEAASA-N 379.482 1.123 0 50 GDAA COc1cc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc(OC)c1OC 1704343241 FVCALQAARVBSPT-RBUKOAKNSA-N 395.452 1.219 0 50 GDAA CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC 1139553 DLNNKBBVQCYTAE-WEVVVXLNSA-N 388.161 1.879 0 50 GDAA CC[C@H](COC)NC(=O)c1ccccc1OC1CCN(C(=O)COC)CC1 11709637 BPHLVMONQAURHJ-OAHLLOKOSA-N 378.469 1.858 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(F)c4)c3)CN2C1=O 14744874 GVRMWPUDOVIQTB-SZMVWBNQSA-N 385.443 1.225 0 50 GDAA OCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19798592 OMSMSHMTNBLHDL-UHFFFAOYSA-N 386.481 1.754 0 50 GDAA Cc1noc(C)c1C(=O)N[C@H]1CCC[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1 1857690112 ANKFZKDZRPDLSV-CABCVRRESA-N 398.467 1.996 0 50 GDAA Cc1cccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)Cn2cc(C)c(O)nc2=O)c1 1857691176 YOKKSLMUVNSONL-RUYXUALKSA-N 396.491 1.593 0 50 GDAA CSCC(=O)NC[C@H]1[C@H]2CN(CC3(C)CCN(C)CC3)C[C@]23CC[C@H]1O3 1857719244 HXUZYUZIKMXIMY-TVKQPGBESA-N 381.586 1.677 0 50 GDAA CCOCCC(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857723615 NTJWUHIMZFRDTK-UHFFFAOYSA-N 390.484 1.252 0 50 GDAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)Cn3ccccc3=O)[C@H]3CC[C@]2(C1)O3 1857727461 SHUNDAGXENJDTI-JZJXAQOMSA-N 385.508 1.800 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c2nc(C)[nH]c3=NCc2[nH]nc3ncccc23)C1 1875250752 DZEDRISUHYTUHW-OAQYLSRUSA-N 391.479 1.917 0 50 GDAA CCn1ccc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ccc(Cl)cn2)C3)n1 1704313519 QJFKROUWNZUNTM-YOEHRIQHSA-N 389.887 1.924 0 50 GDAA COc1cc([C@@H](CC(=O)O)NC(=O)Cc2ccccc2)ccc1OCC(N)=O 4574444 ONCSCNFRKMUZJO-OAHLLOKOSA-N 386.404 1.434 0 50 GDAA CCn1cc(Cl)cc1C(=O)NC[C@]1(C)CCCN(Cc2nc(=O)n(C)[nH]2)C1 2325793171 JSDJNENYUBUWAC-SFHVURJKSA-N 394.907 1.615 0 50 GDAA 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1.975 0 50 GDAA COc1ccc2onc(CC(=O)N3CCC[C@@H](S(=O)(=O)N(C)C)C3)c2c1 415674356 OEJRNTKATFJXAR-CYBMUJFWSA-N 381.454 1.261 0 50 GDAA COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)c(Cl)c1Cl 22934998 WHLUFEALDIDZLK-UHFFFAOYSA-N 382.313 1.528 0 50 GDAA O=C(O)C1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 20573488 WYFVOVFIYKUUJL-ZDUSSCGKSA-N 381.226 1.878 0 50 GDAA CCN1CCN(Cc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)CC1 67673751 MPSURBNQTNHYTL-IBGZPJMESA-N 378.517 1.681 0 50 GDAA Cc1ccc(CNC(=O)c2coc(CN3CCN(c4ncccn4)CC3)n2)o1 67756618 VPECCWYUKMAWOT-UHFFFAOYSA-N 382.424 1.618 0 50 GDAA C[C@H](CNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)CN1CCCC1=O 252487392 WJNLOPCCLUGVDH-BRSBDYLESA-N 380.533 1.434 0 50 GDAA C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H](C)[S@](=O)CC1 253426044 XNEGTBBHFXNUTH-KMVLGAPJSA-N 392.569 1.750 0 50 GDAA CSCc1noc(CCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)n1 437338403 GCVBMHFWTVLSQA-UHFFFAOYSA-N 377.470 1.664 0 50 GDAA CNC(=O)COc1ccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)cc1OC 363387794 KRPYMPQLLYVFHD-UHFFFAOYSA-N 395.419 1.961 0 50 GDAA Cc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)NCCS(=O)(=O)C(C)C 368219367 BZWPZYNTBXCYHD-QGZVFWFLSA-N 380.510 1.929 0 50 GDAA CNC(=O)c1cc2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc2[nH]1 373428306 UDGOHUIBXNLWPC-UHFFFAOYSA-N 397.435 1.721 0 50 GDAA Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 378603410 CULBJBOZUHEAIL-INIZCTEOSA-N 396.403 1.512 0 50 GDAA Cn1cnc(CCN2Cc3c(C(=O)NCc4cnn(C)c4)cccc3C2=O)c1 72440842 KXQGZPIUQZPBNN-UHFFFAOYSA-N 378.436 1.282 0 50 GDAA Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C)CN3CCN(C)CC3)C2=O)cc1 174785770 ZBDJOOFMTDADQV-IEBWSBKVSA-N 387.528 1.426 0 50 GDAA O=c1[nH]c2cc(S(=O)(=O)N[C@H]3[C@@H]4CCO[C@@H]4[C@@H]3C3CCCC3)ccc2o1 222739220 FQSVFFSFHQLKGS-IEAZIUSSSA-N 378.450 1.993 0 50 GDAA COc1cccc(C(=O)NCC(=O)NCC2CCN(c3ccncc3)CC2)c1 180551004 CNTBDOLTBUVULY-UHFFFAOYSA-N 382.464 1.853 0 50 GDAA O=C(c1ccc(O)nc1)N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2F)CC1 291500424 MQCIWKKMGRPPTG-INIZCTEOSA-N 393.802 1.598 0 50 GDAA Cc1cc(C)c2c(CC(=O)N3C[C@H](CO)[C@H](CN(C)CCO)C3)coc2c1C 91635928 YHQMYVZXOIGDOF-RTBURBONSA-N 388.508 1.892 0 50 GDAA Cc1ccc2oc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)O)C3)c(C)c2c1 96140257 RLBFINWMRBWSIE-AUUYWEPGSA-N 392.477 1.828 0 50 GDAA CN1CCN(Cc2ccc(C(N)=O)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 92098128 IAVOQYBGOIMPQX-QFIPXVFZSA-N 384.524 1.694 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1Cc1ccncc1 91364977 HLKDTIILOJCHPN-HXUWFJFHSA-N 381.436 1.210 0 50 GDAA CO[C@H]1O[C@]23CC[C@@]4(O)CC(=O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C(=O)CO 253595881 KBOHKNKCARNXLE-NMAIBXMVSA-N 392.492 1.996 0 50 GDAA COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 298172406 POMYMVXHENIIEI-MRXNPFEDSA-N 385.395 1.806 0 50 GDAA CC(=O)NCC(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940195474 FXAMMVNOCBHJRF-UHFFFAOYSA-N 381.436 1.187 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cn(-c3ccccc3)nn2)cc1 825176785 BABXVERRPUPSEH-UHFFFAOYSA-N 399.476 1.674 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CN1Cc1cccnc1 825563768 IZGMMBKQXXJTOB-INIZCTEOSA-N 399.882 1.827 0 50 GDAA CN1CCOC[C@H](CNC(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)C1 584886752 OKZCUDDMDUYPSA-MRXNPFEDSA-N 375.448 1.731 0 50 GDAA CN1CCN(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 867817108 UKPNBJPUSVTQJG-UHFFFAOYSA-N 381.527 1.092 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3c(Cl)cnn3C)C2)c1C 1875397223 QQPOVOFHLQYENZ-CYBMUJFWSA-N 391.907 1.551 0 50 GDAA O=C(NC[C@@H]1CCN(Cc2nnnn2-c2ccccc2)C1)C1(F)CCOCC1 1875303338 OWMMFCUBSWUEST-HNNXBMFYSA-N 388.447 1.119 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)C1=NN(c2ccc(F)cc2)C(=O)CC1 1875400979 PCRGBHXTDOGYSI-MORSLUCNSA-N 399.426 1.461 0 50 GDAA COc1ccc2nnc(CNC(=O)N3Cc4ccccc4N(C)C[C@@H]3C)n2n1 888100875 KEDDPBDPLLICHH-ZDUSSCGKSA-N 381.440 1.683 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)c3ccc(C)c(F)c3)CC1)OC2 1775962170 WUOYZAFGRSFPGB-UHFFFAOYSA-N 386.427 1.895 0 50 GDAA CC(C)n1cnnc1CN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565514354 MLHMRASRYPFZOP-ZWKOTPCHSA-N 389.525 1.342 0 50 GDAA O=C1CN(c2ccc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2)C(=O)N1 1506429307 SYJCELMSAHWYPL-GOSISDBHSA-N 394.431 1.959 0 50 GDAA COCCc1noc(CN2CCC[C@@H](CNC(=O)c3csc(C)n3)C2)n1 1506403575 NAQDCEFMRJSEPV-ZDUSSCGKSA-N 379.486 1.665 0 50 GDAA O=C1CO[C@H](C(=O)NCCc2nc3c(s2)CCCC3)[C@@H](c2ccccc2)N1 1529159573 SBECULUEIDIZIE-MOPGFXCFSA-N 385.489 1.937 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCO[C@H](CN)C2)cc1 1704314121 ONMIBAOQAJHVEI-MRXNPFEDSA-N 386.452 1.750 0 50 GDAA Cc1ccc2nc(CN3C[C@@H]4CN(C(=O)C5CCOCC5)C[C@]4(CO)C3)cn2c1 1772700221 ABPWOEBZTMDURA-GCJKJVERSA-N 398.507 1.322 0 50 GDAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCC2(CC1)OCCO2 12298740 XFSHSCHGTNXYPI-IBGZPJMESA-N 378.444 1.518 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN2C1=O 14743970 QFZFIPIHLZMOAX-KYNGSXCRSA-N 399.470 1.569 0 50 GDAA Cc1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 14747558 PXSCVXAVBPQIAP-RBUKOAKNSA-N 377.444 1.389 0 50 GDAA CCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 14990513 HTDOUEJVGILDAU-QGZVFWFLSA-N 387.484 1.626 0 50 GDAA O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccccc1 973324 SABICFKQWDLUMQ-SFHVURJKSA-N 399.472 1.325 0 50 GDAA CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 2856214 ICTRMHFLSAJZOL-UHFFFAOYSA-N 390.889 1.512 0 50 GDAA CCOC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)CC1 2916963 POBCTYVVDPIWEQ-UHFFFAOYSA-N 382.420 1.602 0 50 GDAA COc1ccccc1N1CCN(C(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)CC1 4413276 ALLVMDCMILIRMF-ULQDDVLXSA-N 386.496 1.133 0 50 GDAA O=C(c1cscn1)N1C[C@@H]2COC[C@]2(C(=O)N2CCc3ccccc3C2)C1 1857684608 UZQGFKXRVJYOMD-OXQOHEQNSA-N 383.473 1.817 0 50 GDAA COCc1noc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2sc(C)nc2C)n1 1857691553 PWEIERMJZGFUQL-RYUDHWBXSA-N 391.453 1.305 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncc(F)cn2)CC1 1857715418 QQILXFCLCSBCHB-UHFFFAOYSA-N 386.431 1.432 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccc(OCC(N)=O)c2)[C@H]1c1ccccc1 1857721709 BXFDTLDWYHSIAW-FPOVZHCZSA-N 397.475 1.695 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCCc3c(C)n[nH]c3C)CC2=O)s1 1857727288 PDGMEYRYOOZISG-LBPRGKRZSA-N 392.485 1.126 0 50 GDAA COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 797277 FJPYCRQTFAPEDC-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA O=C(COC[C@@H]1CCOC1)N1CCN(CCOc2ccccc2Cl)CC1 117587483 VIMOOWSZOYPNBP-MRXNPFEDSA-N 382.888 1.916 0 50 GDAA COc1cccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)c1 328607099 UMMBQPLRKMJPSD-QGZVFWFLSA-N 384.480 1.716 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 332976385 QAMXGMMOXWIBTE-QUCCMNQESA-N 391.537 1.871 0 50 GDAA COCCN1C[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@]2(C(=O)O)C1 247912161 YMIXZZIAKGPXQN-LIRRHRJNSA-N 378.494 1.732 0 50 GDAA Cc1nc(CN2CCN(CC(=O)Nc3nnc(CC(C)C)s3)CC2)no1 137372331 RMUYDZYNKRDMKY-UHFFFAOYSA-N 379.490 1.184 0 50 GDAA CN(C)CCn1ncc(C(=O)N2CCC(NC(N)=O)CC2)c1-c1ccccc1 253431821 IEVINFFHFVQCBA-UHFFFAOYSA-N 384.484 1.385 0 50 GDAA COc1ccccc1N1CCCN(S(=O)(=O)N2CCC(OC)CC2)CC1 907916840 XCHKABQGDPLGHJ-UHFFFAOYSA-N 383.514 1.563 0 50 GDAA O=C(NCC(=O)N1CCCCc2ccccc21)N1CCc2nnc(O)cc2C1 927226493 MHZSXLLKLVNGFT-UHFFFAOYSA-N 381.436 1.619 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCN2C(=O)OC[C@H]2C1 2100477162 LEKULIDOGMAXQE-OAHLLOKOSA-N 383.404 1.241 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccccn2)C1)[C@H]1CCCO1 2100557196 YFJHYYNNJIZTKG-UEXGIBASSA-N 386.496 1.033 0 50 GDAA CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 2325730449 MGMKKCLVARHOMY-SFHVURJKSA-N 399.472 1.902 0 50 GDAA NC[C@H]1CCCCN(C(=O)C(=O)NCc2cccc(C(=O)N3CCCC3)c2)C1 2325775753 UPAQNEKFXAJHQT-QGZVFWFLSA-N 386.496 1.126 0 50 GDAA Cc1csc(CNC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)n1 2325887113 UZMHLRFNGZYXNY-AWEZNQCLSA-N 398.444 1.143 0 50 GDAA Cc1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)no1 146807401 QMGKWTUKCIMOCM-UHFFFAOYSA-N 381.458 1.621 0 50 GDAA O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 1144100 MEEANQIAHWCIMA-UHFFFAOYSA-N 377.441 1.453 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc(N4CCOCC4)nc3)C1)CC2 2356138821 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Cn1c(=O)c2c(nc(Br)n2CC(=O)c2ccc(F)cc2)n(C)c1=O 1423639 NRJXYTRLRXVHCC-UHFFFAOYSA-N 395.188 1.218 0 50 GDAA CCCNC(=O)c1c(NC(=O)c2c(Br)cnn2CC)cnn1C 2799594 XPMSIVQWNKELCF-UHFFFAOYSA-N 383.250 1.791 0 50 GDAA CCn1ncc(Cn2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cn2)c1C 2808089 VKRUSKMPVZWHHU-AWEZNQCLSA-N 394.501 1.066 0 50 GDAA COCCn1nnnc1[C@@H]1CN(C(=O)c2ccc3nc(C)sc3c2)CCO1 215948353 JUDTZBYTSUTUBN-AWEZNQCLSA-N 388.453 1.451 0 50 GDAA CNC(=O)CN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 374514927 QGILBTKBKMCAMB-AWEZNQCLSA-N 390.450 1.961 0 50 GDAA Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1C(=O)O 375651733 IJSPIWVOIIOGQM-ZACQAIPSSA-N 390.461 1.917 0 50 GDAA CNS(=O)(=O)NC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 241774084 RMYIDCXNHOEFOA-UHFFFAOYSA-N 386.949 1.958 0 50 GDAA COc1ccc2c(c1)[C@H](C(=O)N1CCN(c3ccccc3)C(=O)C1)CC(=O)N2 82170550 AKISNZCIJWPJGX-QGZVFWFLSA-N 379.416 1.996 0 50 GDAA COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c[nH]c2nccnc12 290355768 GDXMLBHGYFLNGZ-UHFFFAOYSA-N 380.452 1.966 0 50 GDAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NC[C@@H]1C[C@H](F)CN1 426615047 DZIZFUGTXZQMON-IRXDYDNUSA-N 394.450 1.804 0 50 GDAA CCOc1ccc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cc1CO 91952063 HPQIUPJZUSLTKR-NRFANRHFSA-N 375.513 1.706 0 50 GDAA CN(C)c1nsc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 95370997 RWNCWVUGPAVTRV-AWEZNQCLSA-N 379.530 1.992 0 50 GDAA COc1ccccc1CN1CCN(C)[C@]2(CCC(=O)N(CC(=O)O)CC2)C1 91876423 SUKOLOFTCUQKJK-FQEVSTJZSA-N 375.469 1.279 0 50 GDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 244701198 KCARAJQHJJSDPH-IBGZPJMESA-N 385.508 1.845 0 50 GDAA Cc1cc(N2CCN(C(=O)c3cccc4c3NCCC4)CC2)n2ncnc2n1 299790015 AJFHCEMKNPUFLF-UHFFFAOYSA-N 377.452 1.753 0 50 GDAA COCCOc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1 670473129 VSCZNXJSQWZXGM-OALUTQOASA-N 377.485 1.452 0 50 GDAA O=C(NCCCc1ccccc1F)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 670435445 ABEMWPCBSWWFHY-QGZVFWFLSA-N 382.501 1.774 0 50 GDAA CCS(=O)(=O)N1CCC(N(CC(=O)OC(C)(C)C)Cc2cc[nH]n2)CC1 864096666 AESBQNMLGZRUJJ-UHFFFAOYSA-N 386.518 1.368 0 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O=C1N[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 14540153 JRQFKYQNOBAELE-WDSOQIARSA-N 385.414 1.765 0 50 GDAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)nn2)n1 169780434 SGDIDVVSJCRXSA-LBPRGKRZSA-N 382.380 1.706 0 50 GDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2CC1CC1 1857740572 KNSZKRFSLIIRNM-JKSUJKDBSA-N 375.444 1.697 0 50 GDAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1OCCCN 1875247371 UINGCKYKJIOZET-SJLPKXTDSA-N 385.464 1.493 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)ccc1=O 222227540 YERGXHRPMYOBGM-QAPCUYQASA-N 378.476 1.484 0 50 GDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530314 ALVUMSOFCVPNTF-HGDCFXMQSA-N 392.492 1.444 0 50 GDAA biogenic Cc1c(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)oc2ccccc2c1=O 2325768458 FJVXHAGAXYMVGP-WBVHZDCISA-N 397.475 1.822 0 50 GDAA O=C(NCc1ccnc(N2CCNCC2)c1)c1c[nH]c2cc(F)c(F)cc2c1=O 2325786451 LZVJRIZFCGSMGU-UHFFFAOYSA-N 399.401 1.541 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)C1 2325889282 IJYXPSKFJBLIBF-AWEZNQCLSA-N 377.466 1.064 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCCc3ncc[nH]3)OCC(=O)N2C2CC2)cc1 2356135377 BJGWCYGHBDMXQL-UXHICEINSA-N 398.463 1.598 0 50 GDAA NCc1nc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)co1 2356148361 SKTQUMQHHPRRJV-PJIJBLCYSA-N 376.457 1.034 0 50 GDAA Cn1cnnc1CC1CCN(c2nc(N)nc(NCc3ccccc3)n2)CC1 55271410 QXJOSJFEPFEKQJ-UHFFFAOYSA-N 379.472 1.654 0 50 GDAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 21794579 JYZSMFKOXFNLKH-UHFFFAOYSA-N 394.523 1.808 0 50 GDAA O=C(Cn1[nH]c(=O)ccc1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65408026 DICTUWVDBNPDSL-ZWKOTPCHSA-N 379.416 1.067 0 50 GDAA CN(Cc1ccno1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20539717 UEKYLQFZSCJSEG-INIZCTEOSA-N 394.497 1.866 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCCSC)C2 20865558 PLWVBZRRZZKYFF-HNNXBMFYSA-N 379.574 1.491 0 50 GDAA Cc1cc(CN2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)nc(N(C)C)n1 328604122 IOOBFJCOJXKABB-QGZVFWFLSA-N 383.500 1.455 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CCCC[C@@H]1CN)C2 332635387 VQNKZUWIZNTXAX-CJNGLKHVSA-N 380.514 1.180 0 50 GDAA O=C(CCc1nc(-c2ccoc2)no1)N1CCN(C(=O)c2ccccn2)CC1 172507592 IDISPQIOFINQGY-UHFFFAOYSA-N 381.392 1.642 0 50 GDAA CCOC(=O)c1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc1 12411052 WRDZCBOZERZYAN-UHFFFAOYSA-N 387.421 1.564 0 50 GDAA biogenic,in-vitro C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1C 282470642 MJPDYYZOJYKVTC-TZMCWYRMSA-N 381.477 1.633 0 50 GDAA CC(C)(CNC(=O)CCc1cc2n(n1)CCNC2)N1CCc2ccccc2C1 72408269 YXGMWHQXLDNQAV-UHFFFAOYSA-N 381.524 1.872 0 50 GDAA CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 367401602 GOOQRADYSMXVOA-IRXDYDNUSA-N 387.546 1.506 0 50 GDAA C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)C4CCNCC4)CC3)cc2NC1=O 262709233 OQSQSNREWXLBMM-ZDUSSCGKSA-N 385.464 1.827 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NCCN3CCCC3)c2)CC1 215200664 QNMYDWRRLDTCOL-UHFFFAOYSA-N 377.510 1.853 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)O)C(C)C)n2)c(F)c1 49546689 VNBMBDRLWBEOMG-KRWDZBQOSA-N 377.372 1.283 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)c2cc(F)ccc2N1 82134759 MWFUNZURHXJAPL-KRWDZBQOSA-N 375.444 1.822 0 50 GDAA Cc1nn(C)c(C)c1CN1CCC[C@@H](CNC(=O)c2c(C(=O)O)cnn2C)C1 20617722 NSPNUVHUAFSRCN-AWEZNQCLSA-N 388.472 1.111 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(Cn3cc(-c4cc(F)cc(F)c4)nn3)CC2)CN1 20854120 JOAQTCHDDSNEAX-AWEZNQCLSA-N 389.406 1.598 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)NC2(CN3CCOCC3)CCCC2)cc1 97819441 VFRIHLZGYRJNES-UHFFFAOYSA-N 384.484 1.405 0 50 GDAA CSc1ccccc1C(=O)N1CC[C@@]2(O)CCN(C(=O)N(C)C)C[C@H]2C1 91770735 GCULBOPKFVOMJD-AUUYWEPGSA-N 377.510 1.989 0 50 GDAA CCCN1CCC(N2C[C@H](NCc3ccccc3F)C[C@H]2C(=O)NC)CC1 23359749 LNLIENJLCQUNGI-XLIONFOSSA-N 376.520 1.979 0 50 GDAA CCc1cc(N2CCC(NC[C@@H]3C[C@H](F)CN3)CC2)nc(N2CCCC2)n1 95529910 YNFPCSRUHUQWSZ-YJBOKZPZSA-N 376.524 1.898 0 50 GDAA COCCCN1CCC[C@@]2(CCN(C(=O)c3nn(C)c4c3CCCC4)C2)C1=O 91665046 XZDQDLGEZHNGSM-NRFANRHFSA-N 388.512 1.790 0 50 GDAA O=S(=O)(N1CCCCC1)N1CCCN(CCn2cc(Cl)cn2)CC1 244758148 OTDXYALTCVZDLW-UHFFFAOYSA-N 375.926 1.275 0 50 GDAA COCCN(CC(=O)O)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 299744127 NPIVLOTWZCJNSS-UHFFFAOYSA-N 390.845 1.053 0 50 GDAA COCCN1CCN(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)CC1 534650055 STCCOJRUCBWPGW-UHFFFAOYSA-N 376.501 1.330 0 50 GDAA Cc1nnsc1CNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 534673714 NUYIXCDVLMQFBH-UHFFFAOYSA-N 375.454 1.603 0 50 GDAA Cc1ccnc(SCC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1 299800072 VNPCGHCXEQIHCU-HNNXBMFYSA-N 376.482 1.968 0 50 GDAA CCOP(=O)(CCOCCOCCOCCOCCC(=O)O)OCC 575440674 KCBOZPJXNCOSFU-UHFFFAOYSA-N 386.378 1.794 0 50 GDAA CC1(C)SC[C@@H](C(=O)N2CCC3(CC2)CN(CC2CC2)CCO3)NC1=O 827776331 GIOFZCQHFNRKCQ-HNNXBMFYSA-N 381.542 1.100 0 50 GDAA O=C(c1ccon1)N1CCC2(CC1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 828120979 ZWNZMPLVLKICOO-KRWDZBQOSA-N 385.420 1.242 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 826835054 IJNAKSZOKUXMAT-HNNXBMFYSA-N 376.482 1.847 0 50 GDAA CN1CCN(CCOc2ccc(NC(=O)c3cnn4ccc(N)cc34)cc2)CC1 1875277314 WDZVKCGKQVFPTI-UHFFFAOYSA-N 394.479 1.795 0 50 GDAA CN1CCC(N2CC[C@@H](NC(=O)c3cncn3-c3ccc(F)cc3)C2=O)CC1 1875307325 AMCUFCPMVOYERQ-QGZVFWFLSA-N 385.443 1.436 0 50 GDAA O=C1C[C@@](O)(C(=O)NCC(=O)N2CCc3ccccc32)c2cc(Cl)ccc2N1 1875324030 YTLWTYCQZQLIRP-FQEVSTJZSA-N 399.834 1.575 0 50 GDAA Cn1cc(C[C@@H]2NC(=O)CCN(CC[C@@H]3CC[C@@H](C(F)(F)F)O3)C2=O)cn1 1875404243 AYIZSAKZEHLALX-IHRRRGAJSA-N 388.390 1.180 0 50 GDAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)[C@H]2CCCN(CC(N)=O)C2)c1C 952967004 GTPKLEBJJHRLCI-WBVHZDCISA-N 383.496 1.864 0 50 GDAA C[C@@H](O)c1nnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1C 1339019790 HXMBVYDIPIBZNG-LLVKDONJSA-N 385.877 1.033 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](C3CCOCC3)N[C@@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 1565516596 BRAUWKLEVXRCSL-IAGYGMIVSA-N 386.448 1.074 0 50 GDAA CCN1CCO[C@@H](C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)C1 187116494 PMNRUOHECNOMPL-OAHLLOKOSA-N 375.498 1.369 0 50 GDAA CC(C)CN1C[C@@H]2CN(C(=O)Cn3[nH]nnc3=N)C[C@@]2(CCc2ccccc2)C1 1772813865 XHOOFXGJYMJLMH-WIYYLYMNSA-N 397.527 1.135 0 50 GDAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772819163 PXFGOWLTMJWWNE-SFHVURJKSA-N 382.482 1.272 0 50 GDAA OCC1(CO)[C@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)C[C@@H]21 1772701619 AQTYZXJWLDGULH-OALUTQOASA-N 379.932 1.385 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCc2cccnc2)c1 11873212 SERGQTOTRRVYDP-FQEVSTJZSA-N 396.491 1.530 0 50 GDAA O=C(N[C@H]1CCCCNC1=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 11934423 DVOMZPBWAAFBBN-ZDUSSCGKSA-N 381.358 1.744 0 50 GDAA COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OC 12405397 KIAYWZXEAJWSGJ-BQYQJAHWSA-N 386.408 1.167 0 50 GDAA O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14542819 SBLCPMZEMTWWHF-BPNCWPANSA-N 396.369 1.801 0 50 GDAA CCN1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1cc(CC(C)C)on1)CC2 14988987 MXTQBFNNGAZMKQ-OAHLLOKOSA-N 391.468 1.889 0 50 GDAA COc1cc(CNCCN2CCOCC2)ccc1OCC(=O)N1CCCCC1 19922799 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COc1cc(OC)c(S(=O)(=O)N2CCC(N)CC2)cc1Br 237207205 QQGYZTXPHVTCOW-UHFFFAOYSA-N 379.276 1.578 0 50 GDAA O=C1[C@@H](NS(=O)(=O)[C@@H]2CCOC2)CCN1c1cccc(OC(F)(F)F)c1 265372012 ANPDMMRTJXFMTG-OLZOCXBDSA-N 394.371 1.399 0 50 GDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704331708 SZAUEFIBKZUFAX-QGZVFWFLSA-N 383.466 1.778 0 50 GDAA O=C1CN(c2ccc(NC(=O)N[C@@H]3C[C@@H](O)C34CCC4)cc2Cl)CCN1 820011308 NUYRHTLYKGDMKF-HUUCEWRRSA-N 378.860 1.701 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C2COC2)CC1 1852538047 FUZNODVNKSAHOU-UHFFFAOYSA-N 391.269 1.996 0 50 GDAA C[C@@H](C(=O)c1ccccc1)n1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 2450776 CWIFDWUCXQNGRH-AWEZNQCLSA-N 395.463 1.868 0 50 GDAA CCCC(=O)N=[S@@](C)(=O)c1cnn2c1CN(c1ncc3c(n1)COC3)CC2 2325784933 UXENSSUIPUSKLK-MHZLTWQESA-N 390.469 1.507 0 50 GDAA COC(=O)c1cc(OC)cc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c1 2356154383 TYATZFZYJUYYQS-PXNSSMCTSA-N 376.453 1.401 0 50 GDAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)CCS(C)(=O)=O)C2=O)cc1 2356165330 CNUZPOGDBUXJQY-IBGZPJMESA-N 378.494 1.918 0 50 GDAA O=C(NCCc1ccc2c[nH]nc2c1)N1CCC2(CCC2)S(=O)(=O)CC1 413526409 BMYXKYNXHHIIBM-UHFFFAOYSA-N 376.482 1.858 0 50 GDAA C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 111120656 QBHIQJUQRLKOKI-CQSZACIVSA-N 378.432 1.563 0 50 GDAA O=C(c1ccc[nH]1)N1CCC2(CCN(CCCn3cccn3)CC2)[C@H](CO)C1 102538011 FCEIPKJWGBYZQY-SFHVURJKSA-N 385.512 1.838 0 50 GDAA Cc1cc(F)ccc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O 247845806 SIIPEHXVAWRVAB-LZWOXQAQSA-N 383.445 1.480 0 50 GDAA O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1 65742968 CKFVSMPWXAASIQ-MRXNPFEDSA-N 395.415 1.119 0 50 GDAA in-vitro CO[C@@H](CNC(=O)Cn1nnnc1CN1CCC(C)CC1)c1cccs1 23340095 KSMCPVBCBYABOT-AWEZNQCLSA-N 378.502 1.470 0 50 GDAA CCn1c(CC2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n[nH]c1=O 67784791 LYIUAINIODEQKH-UHFFFAOYSA-N 382.468 1.882 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 11817002 DHTROPXQISREJT-QGZVFWFLSA-N 399.495 1.323 0 50 GDAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Cn4cnnn4)C3)ccc2c1 11814303 CZFHRSRTNJUHQJ-QGZVFWFLSA-N 379.420 1.956 0 50 GDAA COc1ccc(CNCc2cnn(C)c2)cc1OC[C@H](O)CN1CCCCC1 11818633 GEEDHDQWDNZXTH-LJQANCHMSA-N 388.512 1.944 0 50 GDAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)Nc1ccnn1C 328630945 JYAAFTFFVFOCMV-STQMWFEESA-N 376.440 1.357 0 50 GDAA CC1(C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 328610999 ODZZCDLTGOIIDM-KEYYUXOJSA-N 391.555 1.563 0 50 GDAA CCN1CCN(C(=O)[C@H](C)N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)CC1 329039205 NUTRMLHRHDXYDO-WDSOQIARSA-N 377.533 1.024 0 50 GDAA O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@H](c2nn[nH]n2)C1 155485899 FEHRCGRTGNCHAL-CMPLNLGQSA-N 376.367 1.237 0 50 GDAA CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC[C@H](S(=O)(=O)NC3CCCC3)C1)C2 334107808 ZIYHTVQWFPRESF-BZSNNMDCSA-N 398.573 1.648 0 50 GDAA Cc1cc(C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)nc(C(F)(F)F)n1 372417101 NPUHIGDFYYMOQU-UHFFFAOYSA-N 384.358 1.948 0 50 GDAA O=C(Nc1ccccc1)C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71760860 YSJKSCQXAZZDQS-UHFFFAOYSA-N 375.388 1.355 0 50 GDAA Cc1c(S(N)(=O)=O)sc(C(=O)NCCNC(=O)OC(C)(C)C)c1Cl 239762523 CLWHMBQKQVPIEM-UHFFFAOYSA-N 397.906 1.612 0 50 GDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(F)c(F)c1)C2 220414275 JMQWEKAOIJXEKN-MRXNPFEDSA-N 378.379 1.329 0 50 GDAA O=C(Cn1nnc2ccccc2c1=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 48135107 FPQZAGWLQWHJOM-UHFFFAOYSA-N 386.415 1.767 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1cn(-c3ccccc3)nn1)CCN2C 95499164 DBPJXRLVZZQKKN-FQEVSTJZSA-N 382.468 1.036 0 50 GDAA CC(C)N1CCC[C@]2(CCN(C(=O)c3ccc(-n4cnnn4)cc3O)C2)C1=O 92062218 ZTFCXPSLYSYDJH-LJQANCHMSA-N 384.440 1.231 0 50 GDAA COCC(=O)N1CCC[C@H](C(=O)NCc2nc(Cc3cccs3)no2)C1 95387938 VQWDIWWYHFJZFT-LBPRGKRZSA-N 378.454 1.223 0 50 GDAA CSc1ncc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cn1 91693943 ABGNQVCDDFTSED-GOSISDBHSA-N 380.514 1.134 0 50 GDAA CN(CC(=O)O)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 299747715 DUWFOFHNELPOMY-LLVKDONJSA-N 388.207 1.741 0 50 GDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(Br)ccc1=O 299741635 HBIFJMRYYYRZOH-AWEZNQCLSA-N 391.221 1.649 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940195293 JMPOCBQXNXEUBC-UHFFFAOYSA-N 391.435 1.791 0 50 GDAA O=C(c1n[nH]c2ccccc12)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299789777 AKSMNQDZFLOAJH-UHFFFAOYSA-N 377.470 1.051 0 50 GDAA COc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c(O)c1 299789338 ZTLALNWIAVOOKQ-SJLPKXTDSA-N 375.425 1.371 0 50 GDAA CCNC(=O)c1ccc(N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)nc1 299763854 FQPLQSMPEBGZFY-HZPDHXFCSA-N 375.498 1.644 0 50 GDAA CCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)nnn1-c1cccc(Cl)c1 268937789 CWKLXXYLKVGVLM-ZDUSSCGKSA-N 378.816 1.799 0 50 GDAA Cc1ccc(-c2noc(CCC(=O)N3CCO[C@@H](CC(=O)O)C3)n2)cc1F 269052054 VXLYALYVJFVNLY-ZDUSSCGKSA-N 377.372 1.819 0 50 GDAA COc1ccc(C(=O)N2CCC(C(=O)NS(C)(=O)=O)CC2)c2ccccc12 1875390804 NEAAJAZFYDDPHH-UHFFFAOYSA-N 390.461 1.776 0 50 GDAA CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](CN)CC2)CC1 1875315572 ZOPWQTZGFNOYHC-VAMGGRTRSA-N 386.540 1.253 0 50 GDAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccccc1C1(C)CC1)C2 1875395846 NNGCWBPSCVNUEZ-OAHLLOKOSA-N 376.478 1.113 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 1875402067 ALPNGDPCOWBKQB-POZUXBRTSA-N 388.443 1.428 0 50 GDAA CN1CCCC[C@H]1C(=O)NCC1CCN(C(=O)CCCc2cn[nH]c2)CC1 952982317 YQAKSDJTBUCOPG-SFHVURJKSA-N 375.517 1.572 0 50 GDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2 1565510493 YLOCBZFNXBMXSA-WBVHZDCISA-N 382.464 1.789 0 50 GDAA Cc1nnnn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565529449 ICMGMEQQPJLANP-APWZRJJASA-N 380.496 1.462 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(CCCCOc3ccccc3)C[C@]2(C(=O)O)C1 1565525701 PWDWDCRNHZRGRF-YJBOKZPZSA-N 382.482 1.124 0 50 GDAA Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCCc1cn3c(n1)SCC3)C2=O 274219883 BGTFVETUPRVDPC-LBPRGKRZSA-N 384.461 1.641 0 50 GDAA C[C@@H](CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2)c1nnn[nH]1 274784502 OPSJSYKJQPGNGA-ZETCQYMHSA-N 395.217 1.169 0 50 GDAA Cc1nc2ncc(C(=O)N3C[C@H](C(C)C)O[C@H](c4ccccc4)C3)c(=O)n2[nH]1 1529109555 FFZJHDCBIDRZRT-SJORKVTESA-N 381.436 1.964 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccccc2OC2CCCC2)C[C@@H]1O 1615963496 LCIRYHLAXLUDGT-AEFFLSMTSA-N 382.526 1.692 0 50 GDAA O=C(c1cnccn1)N1C[C@H]2CN(c3ncnc4ccsc34)C[C@@]2(CO)C1 1772815553 OEFFIIBHRHTQIA-XIKOKIGWSA-N 382.449 1.052 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCSC)c1 11816612 HTBLJDXBRCIMOF-GOSISDBHSA-N 398.569 1.734 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 12195375 GOBXVBBICUBUSJ-GOSISDBHSA-N 386.496 1.276 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NC1CCOCC1 15064849 RVMLRPZYBMMZFO-INIZCTEOSA-N 399.413 1.691 0 50 GDAA CC1=C(C(=O)OCCOc2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19771396 NRDIEHIPQVSJSN-RTWAWAEBSA-N 381.384 1.259 0 50 GDAA COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCOCC1)S(C)(=O)=O 4486999 UGBTVSUJHJFCCQ-LLVKDONJSA-N 376.862 1.362 0 50 GDAA CN(c1ccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cc1)S(C)(=O)=O 1857675430 XRIDTQPBAIKOLU-UHFFFAOYSA-N 388.493 1.924 0 50 GDAA O=C(CCc1nc(-c2ccccc2F)no1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857715482 UGJDAXPACSUTTL-CXAGYDPISA-N 397.410 1.660 0 50 GDAA Cc1ccc(-c2nc([C@H]3CC[C@H]4OCCN[C@@H]4C3)n(-c3ccnn3C)n2)nn1 1857722394 USBJHKSKHSZGQU-NUEKZKHPSA-N 380.456 1.391 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)[C@H]1c1cnn(C)c1 1857735769 ATISQPKDHCEXOJ-PMACEKPBSA-N 394.479 1.954 0 50 GDAA O=C(c1cncc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1)N1CCCC1 1875241729 ZLQQUBYYIAAFAO-UYAOXDASSA-N 393.491 1.975 0 50 GDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1875243381 FFVJVCPOHKWKOQ-MOPGFXCFSA-N 389.459 1.881 0 50 GDAA NC(=O)COc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1 266358768 PFCUYDHBMKNJKA-MRXNPFEDSA-N 385.420 1.455 0 50 GDAA O=C1NCc2ccc(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)cc2N1 2325776863 FYWDWPLLOPCYQR-LLVKDONJSA-N 388.815 1.479 0 50 GDAA CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2cc3ncccc3[nH]2)C1 2325779473 HIBAWMHAASVSBB-SFHVURJKSA-N 391.475 1.912 0 50 GDAA Cc1c(F)cc(S(=O)(=O)NC(=O)c2cn(C)nc2[C@H]2CCCO2)cc1F 2325788957 VNVIRTSHYLWZPN-CQSZACIVSA-N 385.392 1.977 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)C1 2325889177 CXTAOHIMSCVYBF-ZUOKHONESA-N 384.436 1.447 0 50 GDAA O=C(CSc1ncccn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 4933235 KQFRZEUMYLHUTF-UHFFFAOYSA-N 394.478 1.228 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4935336 JWMBRHXWZASKPP-URLQWDBASA-N 376.409 1.751 0 50 GDAA CN(C)CC(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1 11934869 IGIZHMHIGIZUHK-UHFFFAOYSA-N 387.572 1.778 0 50 GDAA O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CCc1ccccn1 12207836 WCAFQOJJBABZHP-IBGZPJMESA-N 395.507 1.998 0 50 GDAA COc1cccc(CNCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 12307088 DZZHWDMBURJZGE-IBGZPJMESA-N 387.480 1.452 0 50 GDAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)o1 12438735 NUNSPVLJONSPBM-FQEVSTJZSA-N 381.476 1.904 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3CCN(C)CC3)C2)CC1 12595252 SEEVGFNDGWRNKM-GOSISDBHSA-N 380.533 1.483 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)nn1C 12712512 WMPYUPGPAPVARS-CYBMUJFWSA-N 382.511 1.621 0 50 GDAA Cc1csc(CNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n1 14978854 IFAZBCSMGCSOLP-QGZVFWFLSA-N 386.521 1.891 0 50 GDAA O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16580392 OYQYGBUQNJPWLF-QMMMGPOBSA-N 378.297 1.846 0 50 GDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20214096 NNLZFGYWJQDHKG-INIZCTEOSA-N 379.844 1.843 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc2c(c1)OCO2 20537272 ZEDPFFYCUXZQNL-SFHVURJKSA-N 395.459 1.465 0 50 GDAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)c2nc[nH]n2)CC1 20856587 XYCDUQFQVIYALX-AWEZNQCLSA-N 397.357 1.409 0 50 GDAA CC[C@@H]1C(=O)NCCN1c1ccc(C(=O)NCCCc2c(C)noc2C)cn1 20908550 KQQNOOVFRHFKBF-QGZVFWFLSA-N 385.468 1.764 0 50 GDAA O=C(O)c1cn(C[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn1 65463070 BJLLXJBEZUMDMJ-TUPIDYKKSA-N 376.438 1.689 0 50 GDAA Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)cc1 67649658 SHNVZVPQMVXIHA-INIZCTEOSA-N 377.514 1.798 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CC3(CO)CC3)C2=O)c1 67786144 ZOMRUXRQYBDQKX-FQEVSTJZSA-N 380.460 1.392 0 50 GDAA O=C(C1CCN(Cc2ccco2)CC1)N1CCC(N2CCC[C@H](O)C2)CC1 72151707 KCULEMRXXURNCJ-IBGZPJMESA-N 375.513 1.939 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1 72437478 GLBCGMOVXJKWMY-CQSZACIVSA-N 394.497 1.270 0 50 GDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)n1C 72463065 NNTBLKVWWWDDOR-CQSZACIVSA-N 375.448 1.801 0 50 GDAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)c(C)c1 77134110 HZJIKGSIBPMSIV-UHFFFAOYSA-N 394.523 1.808 0 50 GDAA CC(C)(C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77376379 OTTRTNPPMOETET-UHFFFAOYSA-N 381.498 1.574 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@@H]1CO 91665228 QGYIOWCEYNKMCJ-RTBURBONSA-N 385.508 1.951 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccccc3[nH]1)C2 91746476 YMUDTJANOQOKTM-DZGCQCFKSA-N 376.482 1.511 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)NCCc1csc(-c2cnccn2)n1 91943830 FTKQVPNOVFCGFG-UHFFFAOYSA-N 392.444 1.669 0 50 GDAA CC(C)(C(=O)O)c1cnc(NCCc2cscn2)nc1N1CCOCC1 96164361 LPWCITGJNQWAJM-UHFFFAOYSA-N 377.470 1.787 0 50 GDAA CCCNC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 174709549 LOFURBHYBLNQCR-HNNXBMFYSA-N 380.514 1.513 0 50 GDAA Cn1nc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1OC(F)F 185079292 PRSAYZIUEHOAAX-UHFFFAOYSA-N 390.394 1.627 0 50 GDAA Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc4sccc4[nH]3)CC2)cn1C 192176027 ZJUBGZYZLWRRPT-UHFFFAOYSA-N 393.494 1.418 0 50 GDAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 216419744 OAWUXBDDOAEBDW-UHFFFAOYSA-N 383.433 1.280 0 50 GDAA CCn1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NC2CCCC2)n1 239174358 PWENXHQPXHWCEF-KBUPBQIOSA-N 390.440 1.392 0 50 GDAA CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 253369933 KAOBUFIUJXVMFU-YUELXQCFSA-N 380.466 1.526 0 50 GDAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)[C@H]1c1cnn(C)c1 262180852 QSEPDHBDERPUPL-DHSIGJKJSA-N 376.457 1.433 0 50 GDAA Cc1nn(CCC(N)=O)c(C)c1-c1cccc(C(=O)NCc2cnn(C)c2)c1 299798396 RLEUNOJIFABTAK-UHFFFAOYSA-N 380.452 1.706 0 50 GDAA C[C@@H]1OCC[C@@]12CN(C(=O)NCCN1C(=O)c3ccccc3C1=O)C[C@@H](C)O2 364809843 KHTKIOUEAOFGLF-LAPQFRIASA-N 387.436 1.261 0 50 GDAA COCCn1cc2c(n1)[C@@H](NC(=O)CCn1c(=O)n(C)c3ccccc31)CCC2 371658841 DVOVFIURVWFDAJ-INIZCTEOSA-N 397.479 1.767 0 50 GDAA Nc1ncc(-c2ccc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)cc2)cn1 426401670 GHTXLBFGUDQWMD-LJQANCHMSA-N 381.480 2.053 0 50 GDAA CCCN1C[C@@H](NC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1=O 426684015 YLEKUIKCLXSWBE-LBPRGKRZSA-N 384.458 1.199 0 50 GDAA COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1O 436825590 DRCMDYRJFVBTLR-AWEZNQCLSA-N 396.399 1.945 0 50 GDAA O=C(NCCOCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1 952890610 FFSZDQBJZSOSFI-UHFFFAOYSA-N 385.415 1.053 0 50 GDAA Cn1nccc1C(=O)NCC1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 952988050 AGARMLAUCXHWFG-KRWDZBQOSA-N 395.463 1.263 0 50 GDAA Cc1ncsc1CCN(C)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1506405722 NNLQAMYPSQESIU-OAHLLOKOSA-N 385.555 1.352 0 50 GDAA CCc1ccc(N2C(=O)[C@H]3Nc4nc(NCCOC)nc(O)c4[C@H]3C2=O)cc1 1740816685 ORLFAPPTPINECI-OCCSQVGLSA-N 383.408 1.254 0 50 GDAA CCC(=O)N[C@@]1(C)CC2(CCN(Cc3[nH]c(CC)nc3C)CC2)OC[C@@H]1O 1772708838 FSRHZYFBPZQQJJ-LPHOPBHVSA-N 378.517 1.681 0 50 GDAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@@]2(CO)C1 1772811031 NFHGCPQQYJYMGF-GCJKJVERSA-N 392.459 1.652 0 50 GDAA CCn1cnc2c(N3CCO[C@@](C)(CNC(=O)c4nocc4C)C3)ncnc21 1775992291 RLXKWEFHDQPJDI-SFHVURJKSA-N 385.428 1.168 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1857671092 NAVTWNXJWBAWQS-LJQANCHMSA-N 385.424 1.898 0 50 GDAA C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC(c4nc(N(C)C)no4)CC3)ncn2)C1 1875273560 KFHAUGWIHJFCSC-UKRRQHHQSA-N 387.488 1.517 0 50 GDAA CC[C@@H]1CN(C(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)C[C@@H]1N1CCOCC1 1875278418 YKHKGSKITONKKA-CJNGLKHVSA-N 378.473 1.548 0 50 GDAA O=C(CCCc1nnc(-c2ccccc2)o1)N=c1nc[nH]n1-c1ncccn1 1875315897 MDBWPURTXGALSV-UHFFFAOYSA-N 376.380 1.491 0 50 GDAA Cc1nc(-n2nc(Cc3cnn(C)c3)nc2[C@H]2CCCc3ncccc32)n(C)n1 1875349423 WRYYPKYYQYAODC-INIZCTEOSA-N 389.467 1.892 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)ccc1N1CCNC1=O 1875403067 PFGRONGMGQNPGU-QGPMSJSTSA-N 383.452 1.291 0 50 GDAA Cc1nc(C(=O)N2CCC(C3(O)CC3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404055 RZZCJXCWGPBRAG-QGZVFWFLSA-N 387.528 1.611 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N=c2cc(-c3ccco3)[nH][nH]2)OCC(=O)N1C 1940195201 OGDOURANUKBBPQ-MOPGFXCFSA-N 380.404 1.937 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F 1940195339 NAMGCHXNNMGREH-GWCFXTLKSA-N 395.403 1.733 0 50 GDAA NCc1cn([C@H]2CCN(C(=O)/C=C/c3c(Cl)nc4sccn34)C2)nn1 2325760856 JIMNFTBNQIIUKS-GXFZAYBSSA-N 377.861 1.586 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCN(C)c3ccccc3C2)ncn1 2325785690 JDQMANFDRDYSTP-QZTJIDSGSA-N 382.512 1.434 0 50 GDAA C[C@@H]1O[C@H](C)[C@@H](C(=O)NS(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)[C@H]1C 2325798722 SQTBQBOLGKGDCZ-OVZMXSCWSA-N 381.429 1.876 0 50 GDAA COc1cccc(C(=O)N2CC3(C[C@H](NC(=O)[C@H](O)C(C)C)c4nccn43)C2)c1 2332237851 OJPSBURSZKNSGT-DLBZAZTESA-N 398.463 1.321 0 50 GDAA Cc1ncc(C(=O)N2CC3(C[C@@H](NC(=O)[C@@H]4C[C@@H]5C[C@@H]5C4)c4nccn43)C2)n1C 2332237951 SAFSJTZKBLYZST-FXUDXRNXSA-N 394.479 1.383 0 50 GDAA COc1cc(-c2o[nH]c(=N[C@H]3C[C@H]4CO[C@H](C)CN4C3)c2C(=O)O)ccc1F 2356143061 SXLMEFFROIJHDE-WXHSDQCUSA-N 391.399 1.883 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3csc(=N)[nH]3)C1)CC2 2356143990 FOYWXTJHXSVJEY-LJQANCHMSA-N 386.525 1.851 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(C)ccc2OC)C1=O 2356165105 TWMMXTVCNMMPPK-LJQANCHMSA-N 396.509 1.796 0 50 GDAA Cc1nnc2n1C[C@@H](CNC(=O)c1cc3c(s1)CCOC31CCNCC1)C2 2356146819 WVRYZWKFUWYGCT-CYBMUJFWSA-N 387.509 1.402 0 50 GDAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N[C@@H]1CCS(=O)(=O)C1 4275646 IOCFPJDXIQELRD-CYBMUJFWSA-N 386.429 1.129 0 50 GDAA NCc1cn(C[C@@H]2CCCN(Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1 23581252 YKHUXDFNEHPBGV-MRXNPFEDSA-N 392.507 1.910 0 50 GDAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl 10358199 AVINYKDKWWERRX-UHFFFAOYSA-N 375.878 1.806 0 50 GDAA Cc1cc(C)n2nc(CC(=O)NCCCc3nc4ccccc4n3C)nc2n1 118659879 IARNJQXLANDBOX-UHFFFAOYSA-N 377.452 1.919 0 50 GDAA COc1cc(C)ccc1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 219610187 WONJEFHZPRQBEJ-KRWDZBQOSA-N 379.482 1.294 0 50 GDAA C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C)N1CCC(Cc2ccccc2)CC1 172565622 FWARKTUNMINNOO-IRXDYDNUSA-N 378.538 1.975 0 50 GDAA CN(CCC(N)=O)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71748025 FSQJJDLVDFLANM-QFIPXVFZSA-N 379.460 1.867 0 50 GDAA CCc1ccccc1CN1CCN(Cc2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72453639 UXTUGWBVQLWRTH-VQTJNVASSA-N 388.537 1.764 0 50 GDAA O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 363148775 QETWYIKUTINGNI-MOPGFXCFSA-N 398.507 1.484 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2cn(C)nc2-c2cnn(C)c2)CC1 363986294 NOHRDKWLDCLPBD-UHFFFAOYSA-N 380.452 1.792 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CNS(C)(=O)=O)CCCN1Cc1ccc(F)cc1 71774481 XSBVVTWWKDGYSJ-KRWDZBQOSA-N 385.505 1.434 0 50 GDAA Cc1nc(CCNC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)sc1C 369495275 YTHYWABFDFQNHA-HNNXBMFYSA-N 390.513 1.942 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)NCc1ccc(C(=O)N2CCCC2)cc1 72418725 MEZAJCGCFHBAHA-UHFFFAOYSA-N 395.507 1.861 0 50 GDAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@H]1CC(=O)N1CCCOCC1 72167139 YXFYXNCSIMLPGC-INIZCTEOSA-N 399.413 1.645 0 50 GDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 44971416 ZCSOZOZALJHJQX-HNNXBMFYSA-N 399.495 1.887 0 50 GDAA Cc1c[nH]c(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 82106681 RPAUSDXWSORJPB-KRWDZBQOSA-N 375.517 1.253 0 50 GDAA CC(C)c1noc([C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)n1 225527019 ACXYZWJFUVFDLH-CYBMUJFWSA-N 377.422 1.965 0 50 GDAA Cc1ccc(S(=O)(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cc1 82097789 JJEFTJKBSBFUKC-UHFFFAOYSA-N 377.470 1.167 0 50 GDAA CCc1cc(-c2cccc(C(=O)N3CCN(CCO)CC3)c2)nc(N(C)C)n1 426566822 DNKJRFYVHJVDRM-UHFFFAOYSA-N 383.496 1.522 0 50 GDAA O=C1C[C@H](NCc2ccc(Cl)c3cccnc23)CN1CCN1CCOCC1 178903409 KUUYEMKDNOIBMN-INIZCTEOSA-N 388.899 1.911 0 50 GDAA CCOCc1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)ccc1OC 95370187 PBVAVTZJYPLLAO-MRXNPFEDSA-N 376.453 1.787 0 50 GDAA Cc1ccc(NC(=O)N[C@@H](C)c2nnc(N)s2)cc1NC(=O)CN(C)C 97413338 OUORBBXFLMVTML-JTQLQIEISA-N 377.474 1.812 0 50 GDAA O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95371453 JHTHKFAFASVESH-MRXNPFEDSA-N 377.404 1.797 0 50 GDAA Cc1cc2c(cc1NC(=O)N1CCCN([C@H]3COC[C@@H]3O)CC1)OCCO2 97679939 WPNYSUVDPCTBNM-HOTGVXAUSA-N 377.441 1.066 0 50 GDAA CC1=c2cc(Br)ccc2=N/C1=C(/O)N(C)[C@H]1CCS(=O)(=O)C1 334158601 XDDGOVBHVKPHIK-AKCBPTIMSA-N 385.283 1.099 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CC(c4ccccn4)C3)ccc21 95366089 OWWINYMMVHKOGD-INIZCTEOSA-N 377.448 1.779 0 50 GDAA CN(C)c1cnn(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c(=O)c1 95522078 IVUHVJNWYKMDPN-UHFFFAOYSA-N 381.436 1.857 0 50 GDAA CCn1cc(CN(CCOC)C(=O)Nc2cccc(-c3nnn(C)n3)c2)cn1 96164145 SQXIRCZWCVEJCD-UHFFFAOYSA-N 384.444 1.774 0 50 GDAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)c1C 244763833 OWGSNXWUPLMAJI-GASCZTMLSA-N 395.467 1.883 0 50 GDAA COC(=O)c1cn(-c2ccc3ncn(C(C)C)c(=O)c3c2)cc2c(=O)[nH]nc1-2 253398911 CKFBKKRZZVHGJG-UHFFFAOYSA-N 379.376 1.743 0 50 GDAA Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H]3CN)ccc2n1[C@H]1CCS(=O)(=O)C1 299739389 NVGYXCOKMBFMSX-HRCADAONSA-N 390.509 1.562 0 50 GDAA COC(=O)c1cn(C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc2c(=O)[nH]nc1-2 263586411 UDUYSAJPHDRVEV-ZDUSSCGKSA-N 399.359 1.392 0 50 GDAA biogenic Cc1nonc1N1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)CC1 55042502 DKINNVBBTWFHBT-UHFFFAOYSA-N 396.451 1.872 0 50 GDAA Cc1cc(C)n([C@H](C)CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 584896970 WFDCALBWUBWTPP-MRXNPFEDSA-N 377.489 1.341 0 50 GDAA C[C@H]1CCc2ccccc2N1S(=O)(=O)NC(=O)[C@H]1CNC(=O)c2ccccc21 860529280 CWAVDUVNOQUSLE-GUYCJALGSA-N 399.472 1.716 0 50 GDAA Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2F)nnn1Cc1ccc(F)cc1 1875264286 GXKIBFOESTYICD-QGZVFWFLSA-N 385.374 1.869 0 50 GDAA Cc1nc(-c2nc([C@@H](C)n3ccnc3)no2)nn1-c1n[nH]c(C(F)(F)F)n1 1875262611 KDHABQFYAXZXBF-ZCFIWIBFSA-N 380.294 1.568 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@H](n3nnnc3C(F)(F)F)C2)cc1 1875381855 JOFPJKJCMXHHRC-CYBMUJFWSA-N 394.357 1.928 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)c3cnn4c3CCC4)C2)c1C 1875397699 KVELTJYLFQBSFK-JKSUJKDBSA-N 397.527 1.867 0 50 GDAA CN(C)c1ncc(CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)n1C 895729227 DXZPZHBBGASZOA-UHFFFAOYSA-N 387.438 1.962 0 50 GDAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 268891398 KWQHNPQWRGECPP-RISCZKNCSA-N 397.353 1.691 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)N(CC)C(C)C)CC3)[C@@H]2C1 1775962192 YKSJUEIYMQRMLH-CVEARBPZSA-N 380.489 1.743 0 50 GDAA Cc1c(C(=O)Nc2ccc3c(c2)COB3O)nnn1-c1ccc2ncccc2c1 1776002800 DVQHXOUEJNNVKV-UHFFFAOYSA-N 385.192 1.594 0 50 GDAA O=C1NC(=O)[C@]2(CCC[C@H]2CNc2nc(-c3cccnc3)nc3c2CCC3)N1 269034380 JWXSWHUDZZPTJQ-RNODOKPDSA-N 378.436 1.818 0 50 GDAA Cc1cc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)c2C)no1 737406619 QZTADFPZTRWFRR-UHFFFAOYSA-N 391.453 1.720 0 50 GDAA CCc1nn(C)c(CC)c1CC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 188765649 LJCSHVQIZRHLCD-KRWDZBQOSA-N 377.510 1.990 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1 12034417 ZFTFAMHVCJYCNE-MRXNPFEDSA-N 397.479 1.246 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cn2cccn2)CC1 12199319 ZMBGUTPPRWWAOY-GOSISDBHSA-N 375.517 1.502 0 50 GDAA O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 12296914 VGTFDSFCKUXOGQ-UHFFFAOYSA-N 377.356 1.825 0 50 GDAA biogenic COCCN1CCC(CN(C[C@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1 12314981 XMVZJBRIUJBSKJ-OAQYLSRUSA-N 381.561 1.837 0 50 GDAA COC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12592143 GMAXSNMKFNFDAV-MRXNPFEDSA-N 376.453 1.546 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)COC)CC1 12707102 XTXPDHUYXIXMHF-HNNXBMFYSA-N 380.485 1.950 0 50 GDAA O=C(NCc1cccc(F)c1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12710068 JGKNIJRMHBYREK-INIZCTEOSA-N 375.444 1.693 0 50 GDAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCC(C)(C)CO)C2 14541404 LWRRMUYDIXTNKV-OAHLLOKOSA-N 388.487 1.955 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)NCCn1ccc2ccccc21 15071777 REWHTWVXXXOYOG-LJQANCHMSA-N 380.448 1.741 0 50 GDAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCN2CCOCC2)cc1 19781595 USBSUIGFIXPBPL-CYVLTUHYSA-N 383.448 1.807 0 50 GDAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)n2ccccc2nc1=O 205956219 SEAWCMSWRNNJGF-GFCCVEGCSA-N 398.371 1.832 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)C3CCOCC3)CC(=O)N2[C@@H]1c1ccccc1 1857686390 UJBOLIHMCFXMAU-QWFCFKBJSA-N 399.491 1.350 0 50 GDAA COc1ccc(CN2CCO[C@@]3(CCN(CC(=O)O)C3)C2)c(OC)c1OC 1857694806 XUDPEERVCIHIFN-LJQANCHMSA-N 380.441 1.074 0 50 GDAA CC[C@@]1(C(=O)NCCc2ccnn2C)C[C@@H]2CC[C@H]1N2C(=O)COC(C)C 1857700246 FLCXAITYGJCJAL-SQGPQFPESA-N 376.501 1.664 0 50 GDAA CC(C)c1ocnc1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857717087 JJRVXOUWTJJNBT-STQMWFEESA-N 391.449 1.752 0 50 GDAA CCCn1cc(CNC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)cn1 1857718693 OJBSWMRMRICQGW-ZDUSSCGKSA-N 376.486 1.937 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1CCc3ncnn3C1)CC2 1857740641 RXMQFZDUFVENAD-INIZCTEOSA-N 376.464 1.868 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)CCO1 263153577 BHTUUQCRMRVFGB-OAHLLOKOSA-N 397.859 1.202 0 50 GDAA CO[C@@]1(CN(C)C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)CCOC1 2325799393 SIMJAXKTXYOHNT-RDTXWAMCSA-N 399.513 1.244 0 50 GDAA O=C(NC1CCC(CO)(CO)CC1)[C@H](c1ccccc1)N1CCSCC1 2325806370 LGYFTSRVGSDKRD-SFHVURJKSA-N 378.538 1.806 0 50 GDAA Cc1nccc(C(=O)N2CC3(C[C@@H](NC(=O)C[C@H]4C=CCC4)c4nccn43)C2)n1 2332238121 ZVDUPAFRUPRJTO-DOTOQJQBSA-N 392.463 1.750 0 50 GDAA CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 784043 HXWZHSZDEIJVTJ-UHFFFAOYSA-N 376.434 1.572 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)cn1 2356135933 ZBBNLMSUQGSGDC-SFHVURJKSA-N 389.481 1.161 0 50 GDAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCC(N2CC(O)C2)CC1 2356165504 BSOVDRDUMIJEEM-HNNXBMFYSA-N 398.532 1.978 0 50 GDAA O=C([C@@H]1CCCN1C(=O)Cc1cccs1)N1CCC(C2OCCO2)CC1 110408566 MLQOCMVUDXVWTN-INIZCTEOSA-N 378.494 1.893 0 50 GDAA CCCN(CC(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 225550480 PJJJKXHQIYPTHC-UHFFFAOYSA-N 399.437 1.647 0 50 GDAA Cn1cc(CCNCc2ccccc2OC[C@H](O)CN2CCSCC2)cn1 20451674 FCOSMXADVILCBL-LJQANCHMSA-N 390.553 1.541 0 50 GDAA Cc1ccc(Cl)cc1NC(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O 248057760 CFXSYGXAJUBVME-SQWLQELKSA-N 399.900 1.994 0 50 GDAA Cc1cc(C)c(CN2CCN(Cc3ncc[nH]3)[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 72422268 NUKNYZCSRWSJNJ-MOPGFXCFSA-N 388.537 1.818 0 50 GDAA CCc1ncc2c(n1)CN(C(=O)[C@H](c1ccccc1)N1CCN(C)CC1)CC2 119265777 XDILUCQPZZDAIW-NRFANRHFSA-N 379.508 1.912 0 50 GDAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)cs1 12075725 HZQIGFXBTZLXSO-MRXNPFEDSA-N 376.457 1.598 0 50 GDAA CCn1cc(CN(C)C(=O)C[C@@H]2COCCN2C(=O)N2CCCCC2)cn1 72409175 OUSBMTVTIBYUPS-QGZVFWFLSA-N 377.489 1.558 0 50 GDAA CC(C)N1CCN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)CC1=O 329558456 LMHRRHQBDGDGBK-UHFFFAOYSA-N 380.466 1.505 0 50 GDAA NC(=O)c1csc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71711890 VCAZZIXYCGPZOC-UHFFFAOYSA-N 384.465 1.559 0 50 GDAA CN1CCC2(CCCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)C2)CC1 374097948 AXZLGZLIPDXHOZ-NRFANRHFSA-N 398.507 1.788 0 50 GDAA COc1ccccc1C(=O)N1CCN(C(=O)CCCN2CCOCC2)CC1 77519249 ITMIYPUANXYMTD-UHFFFAOYSA-N 375.469 1.092 0 50 GDAA Cc1cc(C(=O)N2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@H](C)C2)n[nH]1 453618341 SHWWCAMCLJJRTN-CQSZACIVSA-N 376.482 1.468 0 50 GDAA Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N1CC[C@@](C)(C(=O)O)C1 263076673 QQMTYJDFKKRKLP-HNAYVOBHSA-N 375.425 1.933 0 50 GDAA C[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1nc(-c2ccccn2)no1 72418085 XCPRTVOMXGDTAJ-CYBMUJFWSA-N 381.440 1.631 0 50 GDAA Cc1cc(NC(=O)NCC2CCS(=O)(=O)CC2)cc(N2CCN(C)CC2)c1 241897359 TYBGDOFUZWGWHM-UHFFFAOYSA-N 394.541 1.693 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCC3CCOCC3)C2=O)cc1 223212224 IWGQOPFIYTXEKW-QGZVFWFLSA-N 389.452 1.439 0 50 GDAA Cc1nc(CNC(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)nc2c1CCCC2 222673716 PGJMTNZUTORZND-HXUWFJFHSA-N 388.468 1.574 0 50 GDAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426584990 ZIMFTHUKYVGUDG-CYBMUJFWSA-N 392.843 1.182 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)COCc3ccccc3)[C@H](O)C2)cs1 426548605 VIDOCPIPMCMYFB-QZTJIDSGSA-N 375.494 1.720 0 50 GDAA C[C@@H]1Cc2cc(CN3CCCn4nc(CNS(C)(=O)=O)cc4C3)ccc2O1 91694073 KTHZXQZMXBPROY-CQSZACIVSA-N 390.509 1.662 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1C)CC2 95497037 HNIMIRIANBIOEP-UHFFFAOYSA-N 396.491 1.810 0 50 GDAA O=C(O)c1csc(CCNC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 426434793 CGSVCXWEFPZUQX-UHFFFAOYSA-N 378.410 1.144 0 50 GDAA CCSc1nc(CC(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cs1 95510354 JJTNXAGCBBLROE-QWHCGFSZSA-N 391.584 1.830 0 50 GDAA O=C(NCc1csc(-c2cnccn2)n1)[C@H](c1cccnc1)N1CCOCC1 95372366 COEZMXMBPTZSEO-KRWDZBQOSA-N 396.476 1.685 0 50 GDAA CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 32066965 KJFBVJALEQWJBS-AAVRWANBSA-N 376.240 1.775 0 50 GDAA biogenic CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CCN1C 1875350221 FHSYFKCFQYHQTF-HNNXBMFYSA-N 396.451 1.500 0 50 GDAA CN(CC1(N)CC1)C(=O)c1cnc2c(c1)c(O)nc(=O)n2Cc1ccccc1 1875343322 XIECPRKSUMPEFB-UHFFFAOYSA-N 379.420 1.109 0 50 GDAA COc1ncc([C@H](C)N[C@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1Cl 1875399973 OAOJMATWXFDQOF-AAEUAGOBSA-N 393.875 1.071 0 50 GDAA CC(C)Cc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)nc(N)n1 952970334 RDOBIIFTDLRTHQ-SFHVURJKSA-N 384.484 1.456 0 50 GDAA C[C@]1(C(F)F)CN(C(=O)[C@@H]2CC[C@H](C(N)=O)N2Cc2ccccc2)CCO1 880780262 SZLMSVLJWDVWRN-ZRGWGRIASA-N 381.423 1.388 0 50 GDAA O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 1565529247 QDRHZYJIVXXAQV-IRXDYDNUSA-N 386.414 1.666 0 50 GDAA COc1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1OC(F)F 277777290 WLZSTJIDAHSJNA-CEXHIMGSSA-N 399.419 1.976 0 50 GDAA COC(=O)[C@@H]1CCCN2C(=O)N(c3cc(C(=O)N(C)C)ccc3Cl)C(=O)[C@H]12 170613892 BGZLRMQIVKGIOZ-RISCZKNCSA-N 393.827 1.762 0 50 GDAA CCn1ccnc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 279217711 NEXLVXPUXXUQBZ-UHFFFAOYSA-N 375.860 1.953 0 50 GDAA Cc1c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)nnn1Cc1ccc(F)cc1F 190749244 SJNGPJLUZZZBEY-KRWDZBQOSA-N 397.385 1.970 0 50 GDAA C[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 192160443 VMHPPYRZFBHYGP-KRWDZBQOSA-N 393.553 1.975 0 50 GDAA CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc3scnc3c2)CC1 1506395993 CXTDMYBDHTXLNF-UHFFFAOYSA-N 382.511 1.545 0 50 GDAA O=C(O)[C@H]1CCCN(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)C1 1506421630 RYQNXMHLXYECHS-AWEZNQCLSA-N 379.438 1.718 0 50 GDAA Nc1ncc2c(n1)[C@]1(CCCN(CC(=O)N3CCOc4ccccc43)C1)CC2 1704344082 NUKVVKRTJAZDAL-OAQYLSRUSA-N 379.464 1.764 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC[C@H](NC(C)=O)C2)ccc1F 1704328530 KNXIVDFWCZZMLM-ZDUSSCGKSA-N 390.415 1.906 0 50 GDAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@@H]21 1704325148 JPCXDNOORCCFLV-UVBSCNOISA-N 380.466 1.693 0 50 GDAA Cc1ccccc1-c1ncc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)s1 1616077346 PKPNYXPEPYJJHI-PBHICJAKSA-N 395.550 1.803 0 50 GDAA CCc1nc(CN(C)C(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)no1 1772810534 LBUJONHPABQPCU-LBPRGKRZSA-N 391.497 1.689 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1cccs1 4718550 TYNDFGJMWHOOIK-IDJPSDCMSA-N 397.481 1.865 0 50 GDAA CC[C@]12COC(=O)N1CCN(C(=O)CCCc1nc(-c3cccnc3)no1)C2 1857671091 NAVTWNXJWBAWQS-IBGZPJMESA-N 385.424 1.898 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C2 1857681707 JPWUVQHMUXDJQB-QGZVFWFLSA-N 381.454 1.139 0 50 GDAA CC1CCN(C(=O)c2cc3c(s2)CCOC32CCN(C(=O)CN)CC2)CC1 1857692976 BYGIGMOBBVXCRY-UHFFFAOYSA-N 391.537 1.969 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)NCCn1c(C)cc(C)nc1=O 1857697917 BFMYNOXUKKASTO-UHFFFAOYSA-N 384.465 1.766 0 50 GDAA O=C(CNC1CC1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857701360 PMAVSRLNXSMJKB-OAQYLSRUSA-N 379.464 1.803 0 50 GDAA O=C1CCCN(Cc2cccnc2)CCCNC(=O)c2ncccc2OCCN1 1857707052 XMYNYDLZEABRBL-UHFFFAOYSA-N 397.479 1.388 0 50 GDAA CCc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4cccnc4)[C@H]4CC[C@]3(C2)O4)nc1 1857719189 GKTSELFAAYZEIV-XKGFGPFHSA-N 379.464 1.848 0 50 GDAA COc1ccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c(OC)n1 1857724731 AEBIGCKVCDPBHE-BZSOYRFXSA-N 384.432 1.308 0 50 GDAA CCOC(=O)CCNC(=O)N1CCC[C@]2(CCc3c(O)nc(N(C)C)nc32)C1 1857728191 REXGDDKBSZRODV-IBGZPJMESA-N 391.472 1.191 0 50 GDAA CCCc1c(C)nc2nc(=NC(=O)c3cccc(N4CCCC4=O)c3)[nH]n2c1O 1875245838 UDFVLIZBNYEKJN-UHFFFAOYSA-N 394.435 1.892 0 50 GDAA CS(=O)(=O)NCc1cnc2c(c1)CN(C(=O)COc1ccc(F)cc1)CC2 1875247055 PWFQOGMKZYUMOL-UHFFFAOYSA-N 393.440 1.234 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nc(C3CC3)no2)CC[C@H]1NC(=O)COC 1875249413 RBSRLSZHGBPWFL-RRFJBIMHSA-N 394.472 1.290 0 50 GDAA COCCN1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1ccc(O)nc1 2100557699 ZYTVMIHHLJBONG-BAYUQKDNSA-N 397.475 1.240 0 50 GDAA CCC(CC)[C@H](C)C(=O)N1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 2325794092 PYOLJPKMIZWDJY-FASAQXTFSA-N 376.505 1.593 0 50 GDAA CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@]2(C)CCCCNC2=O)[nH]1 2325860468 IZPXWSIUYAMNFR-SIFCLUCFSA-N 388.468 1.291 0 50 GDAA COc1cc(-c2onc(N3CC[C@@H](CS(N)(=O)=O)C3)c2C(=O)O)ccc1F 2356155201 BOJYHQKXWKYCAE-SECBINFHSA-N 399.400 1.302 0 50 GDAA C[C@]1(O)CC2(CCN(C(=O)CCC(=O)Nc3cccc(F)c3)CC2)OC[C@@H]1O 2356159709 NKRDZKPUPJYKPK-LPHOPBHVSA-N 394.443 1.438 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1 6742974 QEXGAANKSGAPKU-UHFFFAOYSA-N 382.482 1.732 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 55142347 BCDBLLVLEZOVIY-UHFFFAOYSA-N 392.456 1.234 0 50 GDAA COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 55575793 YUEXKJDBCVNPHX-HNNXBMFYSA-N 386.452 1.253 0 50 GDAA Cc1cccc(C(=O)N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)c1O 65452358 SKFZVTOUJUNHGM-UHFFFAOYSA-N 384.436 1.416 0 50 GDAA CC(C)(C)OC(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 22052660 DEUNEHFEIXQVDG-OBJOEFQTSA-N 386.518 1.353 0 50 GDAA in-vitro O=C(CN1CCNCC1)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67654986 LTVPXKNVEHYVMV-UHFFFAOYSA-N 394.454 1.799 0 50 GDAA COC(=O)C1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1 67621684 MCQROXPMPBRGMW-UHFFFAOYSA-N 388.873 1.761 0 50 GDAA COc1ccc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(OC)c1 69926983 BIWFZAJPGVUULS-INIZCTEOSA-N 377.485 1.958 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)C3Cc4ccccc4C3)C2=O)n(C)n1 328613090 QRTQANNLNLQUOW-QGZVFWFLSA-N 388.493 1.311 0 50 GDAA COc1ccc(CN2CCNC(=O)C2)cc1OCCCNC(=O)c1ccoc1 12278779 XUHGDRPLGNSQAP-UHFFFAOYSA-N 387.436 1.419 0 50 GDAA O=C1COc2cc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)c(Cl)cc2N1 328616658 BYRUBNICOYVBSX-JTQLQIEISA-N 396.856 1.408 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 328636249 NYWJKLOXWSYZPF-ZDUSSCGKSA-N 384.465 2.122 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(C)(C)C)CO2 71385646 KMWPKJRPXPYOMQ-HNNXBMFYSA-N 377.485 1.812 0 50 GDAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 377058511 WRYXAWSVLSXVSG-IRXDYDNUSA-N 387.546 1.313 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)C1(NC(N)=O)CC1)CC2 333235803 HQOUWXLHMHTTHG-HNNXBMFYSA-N 390.509 1.679 0 50 GDAA O=C(NC[C@H](N1CCNCC1)C(F)(F)F)c1cccc(CN2CCCC2=O)c1 262096128 UTJHFFCTKPKRQH-INIZCTEOSA-N 398.429 1.375 0 50 GDAA CCc1ccc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72411383 NVEFYYRNCNNFJT-VQTJNVASSA-N 399.516 1.768 0 50 GDAA NC(=O)COc1cccc(-c2cccc(C(=O)NCC(=O)N3CCCC3)c2)c1 426527107 XOWMTBIYMOOUNI-UHFFFAOYSA-N 381.432 1.570 0 50 GDAA CN(C)CCN1CCN(C(=O)c2ccc(-c3ncccc3C(N)=O)cc2)CC1 426503439 FSSKVSJVOOUTRW-UHFFFAOYSA-N 381.480 1.167 0 50 GDAA Cc1cc([C@H]2CCCN2C(=O)NCCn2nc(O)c3ccccc3c2=O)no1 426633801 FYISTKXKGCXIFI-MRXNPFEDSA-N 383.408 1.945 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@H](Cn2ccnc2)C1 96161806 XQFIPNMOFUVXIC-CQSZACIVSA-N 377.470 1.783 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(-c3cnc[nH]3)c2)C1 97243981 HYIIVALWMGEDMX-ZDUSSCGKSA-N 377.470 1.870 0 50 GDAA COc1ccc(OC)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 239310260 IGUOUXVXFXNQTH-DPXVYKJRSA-N 382.416 1.695 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2)n1 97759478 IHBYJZQSSXDFML-SFHVURJKSA-N 381.480 1.840 0 50 GDAA Cc1nc2ccccc2n1CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)C)n2C)C1 252523013 BQHJPYZUAWNBDU-SHTZXODSSA-N 381.484 1.597 0 50 GDAA CC(C)(C)NC(=O)CN1CCn2nnc(-c3nc(-c4ccccc4)no3)c2C1=O 263616371 IIKRKBSNXIPNIL-UHFFFAOYSA-N 395.423 1.366 0 50 GDAA CCCc1ccc([C@H](C)NC(=O)CN2CCN(c3cn[nH]c(=O)c3)CC2)cc1 65398226 GJLFSRPPWARMAH-INIZCTEOSA-N 383.496 1.722 0 50 GDAA O=C1CO[C@H](CNc2ncccc2F)CN1CC1CCN(CC2CC2)CC1 299768498 KOACTBGRAPAIAI-QGZVFWFLSA-N 376.476 1.982 0 50 GDAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cc2ncc(CCO)cn2n1 828773611 FIODPVCTOPDAII-SFHVURJKSA-N 376.420 1.632 0 50 GDAA CN1C(=O)[C@H](NC(=O)C[C@H](Cc2ccccc2)C(=O)O)COc2ccccc21 1875290789 CXGQLDSPDPBQTC-JKSUJKDBSA-N 382.416 1.860 0 50 GDAA Nc1ncnc2c1ncn2CCC(=O)Nc1ccccc1OCCn1ccnc1 1875325416 NDTFSBYZAOIUEX-UHFFFAOYSA-N 392.423 1.713 0 50 GDAA O=C1C[C@H](Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc4c3=O)c2)N1 1875387413 HBRPAOBJMLURKG-SFHVURJKSA-N 398.806 1.588 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@H](C)Cc2ncccc2Cl)ncn1 1875399796 JGRNSSZBMDWHIK-MGPQQGTHSA-N 376.892 1.727 0 50 GDAA CO[C@]1(C(F)(F)F)CN[C@H](C(=O)NCc2csc(-c3ccn(C)n3)n2)C1 1875405823 PBBIISMUZTUROJ-FZMZJTMJSA-N 389.403 1.469 0 50 GDAA COc1ccc(CCN(C(=O)Cn2[nH]nnc2=N)C2CCCCC2)cc1OC 952971890 PCLRQTYFGDYFHI-UHFFFAOYSA-N 388.472 1.507 0 50 GDAA NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)C1 952963336 GYRGWAZCGYNNLC-MAUKXSAKSA-N 375.469 1.770 0 50 GDAA O=C1COc2cc(C(=O)N3CCc4nc[nH]c4[C@H]3c3cccnc3)ccc2N1 952976453 FSRPBIYNKZBBAF-LJQANCHMSA-N 375.388 1.924 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)N2C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C2)c1C 1565515162 GQCXLAZCHCQFDG-CVEARBPZSA-N 377.489 1.457 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1C(=O)O 273679757 KQOFUPZYMFTHKA-MRXNPFEDSA-N 395.525 1.484 0 50 GDAA CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 186345291 NAHMVDICLVFSLA-GOSISDBHSA-N 394.541 1.025 0 50 GDAA C[C@@H](CNC(=O)CS(=O)(=O)CCCc1ccccc1)N1CCCCC1=O 170606189 GTQHUMBHFLRVPD-INIZCTEOSA-N 380.510 1.551 0 50 GDAA Cc1ccn2ncc(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)c2n1 171186584 SINMRLZEONLFEW-UHFFFAOYSA-N 375.383 1.587 0 50 GDAA CN1CCCN(CC(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1529120003 QCTFVJAJXOJUMW-WIYYLYMNSA-N 382.508 1.234 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1F 1704333532 ARERUTGBOOHESR-GFCCVEGCSA-N 390.415 1.906 0 50 GDAA Cc1c(Cl)cccc1NC(=O)C[C@@H]1Cc2c(n(C)c(=O)n(C)c2=O)NC1=O 1848442760 IJYJNRQLVJLUSZ-JTQLQIEISA-N 390.827 1.185 0 50 GDAA CCc1ccccc1CN1C[C@@H]2CN(C(=O)c3ccc(O)nc3)C[C@]2(CO)C1 1772812542 MVZAGYOSIVJDAL-KNQAVFIVSA-N 381.476 1.916 0 50 GDAA Cc1cccnc1CCNCc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 12308368 UWVHQMMDWFTVHK-NRFANRHFSA-N 399.535 1.919 0 50 GDAA O[C@@H]1CCCN(C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)C1 12590633 MYCJNIJLKZUOMX-OAHLLOKOSA-N 387.488 1.793 0 50 GDAA COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3C2)c1 14752556 BCNWBKBLJXODOA-IHPCNDPISA-N 379.460 1.495 0 50 GDAA CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2cccnc2)cc1 16623522 KJZIMQPYYHJTNK-QZTJIDSGSA-N 394.518 1.373 0 50 GDAA CC[C@]1(C)CC2=C(CO1)S[C@@H]1N=NN(CC(=O)N3CCOCC3)C(=O)[C@@H]21 169680217 SZHOEEKXEQUAIK-YQQAZPJKSA-N 380.470 1.587 0 50 GDAA Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1857685107 OXLSCZFKHLFKAV-GFIVTLFCSA-N 375.469 1.756 0 50 GDAA CCNC(=O)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccc(C)s3)C2)C1 1857687793 FLHDNTVKSKWIJT-VQIMIIECSA-N 379.526 1.482 0 50 GDAA COCc1noc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)n1 1857696128 NWFRBPXYVYRHQP-GFCCVEGCSA-N 386.412 1.675 0 50 GDAA CCN(C)C(=O)C1(OC)CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 1857700249 PFDIFDGCPXXLGX-UHFFFAOYSA-N 383.514 1.323 0 50 GDAA CCn1cc(CN2CCC3(CC2)CC(=O)N(Cc2noc(C)n2)CCO3)cn1 1857706814 RKWFPGIIAPBCFK-UHFFFAOYSA-N 388.472 1.378 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)c1 1857708318 NIPNILYFGTXRBC-KRWDZBQOSA-N 399.520 1.852 0 50 GDAA CN(CCc1ccccn1)C(=O)[C@H]1CC[C@H]2OCCN(c3ccncn3)[C@@H]2C1 1857716749 RNKYYSOUYRBZIB-QXAKKESOSA-N 381.480 1.947 0 50 GDAA COC(=O)c1coc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857734352 IURHELBZVFSICL-LPHOPBHVSA-N 378.400 1.388 0 50 GDAA O[C@@H](COCc1ccccc1F)Cn1cnc2c(N3CCOCC3)ncnc21 123975518 VPSYBOWDNFLUIV-OAHLLOKOSA-N 387.415 1.380 0 50 GDAA COc1ccc(NC(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)cc1OC 11905794 IPAVAKVYRSEUTM-UHFFFAOYSA-N 379.438 1.361 0 50 GDAA CN1CC2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)OC1=O 2325817906 DAPYPTXTCNLESA-UHFFFAOYSA-N 386.857 1.800 0 50 GDAA CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)NCCN)C2)c1 132202957 LAQHDZUFQXVWIO-ZDUSSCGKSA-N 394.903 1.862 0 50 GDAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 692004 WPUJCWDOPXZBNE-OAHLLOKOSA-N 396.490 1.945 0 50 GDAA CS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1cc(C=O)c2ccccc21 2890457 PQBHBHHTOYBCMK-HNNXBMFYSA-N 376.434 1.870 0 50 GDAA COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 4497595 VDABGTUQHMEWCN-OAHLLOKOSA-N 382.416 1.931 0 50 GDAA CC(=O)NCCc1nc(-c2c(C)ncc3c2CCN(c2ncccn2)C3)no1 20821368 QDSSJABPILQQKF-UHFFFAOYSA-N 379.424 1.471 0 50 GDAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCCN(Cc2cccs2)CC1 23338684 CBPGDIJJCFTRPE-HNNXBMFYSA-N 375.498 1.867 0 50 GDAA COc1ccc(CNCc2cnn(C)c2)cc1OC[C@@H](O)CN1CCCCC1 11818632 GEEDHDQWDNZXTH-IBGZPJMESA-N 388.512 1.944 0 50 GDAA Cc1cnc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)nc1N 67842966 MSDPIAOICPLWRL-FQEVSTJZSA-N 398.442 1.544 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCC[C@@H](O)C3)nc2)CC1 67868092 OSOILRFPAKBIOS-GOSISDBHSA-N 386.496 1.517 0 50 GDAA CN1CCN(CC2(CNS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)CC1 1506411932 VIQNDRJRIRNDBS-UHFFFAOYSA-N 389.924 1.926 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CN(C)CCN1C 1506428522 PHOWXUNBNKMNCV-ZDUSSCGKSA-N 375.922 1.571 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc1Cl 1506416993 ZXHAMIHJGFFBPY-SNVBAGLBSA-N 397.280 1.528 0 50 GDAA C[C@@H](NC(=O)c1coc(COc2cccc3cccnc23)n1)c1n[nH]c(=O)[nH]1 67740332 GJKGWUVBEFBOQH-SNVBAGLBSA-N 380.364 1.704 0 50 GDAA CO[C@H]1[C@H](NC(=O)c2cnn3cccnc23)c2ccccc2C12CCNCC2 72426159 BOVDZJPVGOTOFE-MSOLQXFVSA-N 377.448 1.850 0 50 GDAA O=C(NCc1nccs1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 215974009 ZRRBSXLFDFCZQK-GFCCVEGCSA-N 381.479 1.388 0 50 GDAA COc1nc(N2CCCCCC2)nc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n1 366827018 UIBJQTCCLPUYLS-XHSDSOJGSA-N 377.489 1.627 0 50 GDAA Cc1nc2n(n1)CCN(C(=O)c1nnn(-c3ccc(F)cc3)c1C(F)(F)F)C2 333449819 NKUMRSRTVBACLC-UHFFFAOYSA-N 395.320 1.981 0 50 GDAA Cc1cc(C)n2c(C(=O)N[C@@H]3COCC[C@@H]3OCc3ccccc3)nnc2n1 219359578 RDIVLOYUJSJYDA-SJORKVTESA-N 381.436 1.845 0 50 GDAA CNS(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2c2ccc(F)cc2)nc1 455185661 SNVBNZVDFABKMA-HNNXBMFYSA-N 394.428 1.734 0 50 GDAA O=C(c1cn[nH]c1-n1cnnn1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 48121633 IPAPMZSISYOQRK-UHFFFAOYSA-N 379.359 1.113 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2ccccc2c1=O 220391649 IUOFRUQHQGAYJZ-HZPDHXFCSA-N 380.404 1.295 0 50 GDAA O=C1C[C@H](NCc2ccc(-c3ccncc3)cc2F)CN1CCN1CCOCC1 178929942 SDTZEFDDNJPSRR-FQEVSTJZSA-N 398.482 1.910 0 50 GDAA Cc1c2ccc(=O)cc-2oc(O)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 334158560 VIEOKJFDPBMTGO-GFCCVEGCSA-N 379.434 1.337 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 95505210 AFLPUYUJJOBSEM-MRXNPFEDSA-N 378.436 1.574 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)CSc3ccccn3)C2)CCC1=O 95499261 UDIOQFTUAWTUTR-HXUWFJFHSA-N 390.553 1.967 0 50 GDAA Cc1ccc2nc([C@H](C)NC(=O)c3cnc(Cn4cncn4)nc3O)[nH]c2c1 91445083 PIRIQKOTHUTEQP-NSHDSACASA-N 378.396 1.498 0 50 GDAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 95390047 SNRRWYMXEQYEIK-GDBMZVCRSA-N 382.464 1.719 0 50 GDAA CCn1nc(C)c(C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)c1C 91830446 DPMVAZXBSOZLBC-UHFFFAOYSA-N 384.484 1.584 0 50 GDAA COc1ccc(CN(C)Cc2nc(C)no2)c(OC[C@@H](O)CN2CCCC2)c1 95522287 ROWPJTIINXJKEQ-KRWDZBQOSA-N 390.484 1.854 0 50 GDAA CS(=O)(=O)N1CCC(NC(=O)CN2CCC(c3ccccc3)CC2)CC1 95371080 OQJAVUWICWYQKX-UHFFFAOYSA-N 379.526 1.406 0 50 GDAA COC(=O)c1ccc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)cc1 96865430 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888096913 RDIAJDWDVWQVBC-UHFFFAOYSA-N 395.260 1.617 0 50 GDAA COc1ccc(NC(=O)N2CC[C@@H]3C[C@H]3C2)cc1S(=O)(=O)N[C@@H]1CCOC1 888101814 HRGHETGZARPXNH-VNHYZAJKSA-N 395.481 1.636 0 50 GDAA C[C@]1(O)CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1O 1565514303 BHWWHKZTAZWJCN-APWZRJJASA-N 380.872 1.536 0 50 GDAA C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 195189380 QOYURKJVXFNGOQ-AWEZNQCLSA-N 386.415 1.955 0 50 GDAA COc1cccc(CN2C[C@@H]3CNC(=O)C[C@@H]3C2)c1OCCCn1ccnc1 1800410440 TWTPELSKYWPBIG-MSOLQXFVSA-N 384.480 1.929 0 50 GDAA CS(=O)(=O)N1CCCC[C@H]1CCNc1cncc(C(=O)N2CCCC2)n1 1704344435 QDZYGMPSUTWTBV-AWEZNQCLSA-N 381.502 1.329 0 50 GDAA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC(N)=O)NC(=S)N1 5064000 LZIFUXXYUOUYBW-INIZCTEOSA-N 377.466 1.687 0 50 GDAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1nc(C)c[nH]1)CCO2 11911854 QKNCEWRFYBUADG-GOSISDBHSA-N 383.496 1.823 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cncs3)C2)cc1 12578346 CAWFEKCEKVVFQQ-CYBMUJFWSA-N 395.506 1.982 0 50 GDAA CN(C)c1ncccc1-c1nc(-c2ccccn2)nn1[C@H]1CCS(=O)(=O)C1 1857674319 DAJUNOUWGTXPRO-ZDUSSCGKSA-N 384.465 1.828 0 50 GDAA Cc1nc(CN2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)co1 1857691333 GRQXPVJUMGUAEU-HXUWFJFHSA-N 385.468 1.795 0 50 GDAA CN(C)c1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CC4CC4)C[C@]34CC[C@H]2O4)cn1 1857710272 OITNGYRKPXWAGI-KCXPTXFHSA-N 398.507 1.684 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCc3nncn3C3CCCCC3)CC2=O)s1 1857717083 WEEDTMFUPYKTDG-LBPRGKRZSA-N 389.485 1.613 0 50 GDAA O=C(c1ccc2ncnn2c1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857725336 QUSJCOMOHSTWSB-FVJLSDCUSA-N 389.415 1.644 0 50 GDAA O=C(O)C[C@@H]1COCCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 909616089 FAAUMWOISCREKS-GFCCVEGCSA-N 390.417 1.897 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@H]1CCc2c[nH]nc2C1 2100477624 CXBPONULRRLPOP-INIZCTEOSA-N 378.432 1.975 0 50 GDAA CC(C)[C@H]1CC(=O)c2nc(NC(=O)CN3CCN(c4ncccn4)CC3)oc2C1 2100543382 RLBXWBCJENNHBL-AWEZNQCLSA-N 398.467 1.626 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnc(-n2ccnc2)c1 2325785484 ASUYPAVSWYSCSZ-APHBMKBZSA-N 386.843 1.687 0 50 GDAA COCC[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc23)C1 2325790768 IPSQFFDJGLLBSW-UWJYYQICSA-N 398.463 1.938 0 50 GDAA COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 881230 LWVDRUUEKMUGRK-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA COc1ccc(Cl)cc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 882432 YTXICSAMHKBNJR-LBPRGKRZSA-N 376.862 1.410 0 50 GDAA COCCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cncnc1)C[C@H]2O 2356136609 BDYUPWLMAKYPOZ-UGESXGAOSA-N 396.491 1.206 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(F)ccc2F)C1=O 2356147745 MUGPGKGHQHXDLS-QGZVFWFLSA-N 388.436 1.757 0 50 GDAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1 2356153102 ROUIVGQHOGNNJX-UHFFFAOYSA-N 386.433 1.635 0 50 GDAA CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 246503254 QBRHRMCROZGSNV-NEWSRXKRSA-N 397.585 1.503 0 50 GDAA CC[C@@]1(C(=O)OC)C[C@H](C(=O)NCC(=O)OC)[C@H](c2ccc(OC)cc2)N1C 55119396 SDHCIKFEMPHVDY-KNBMTAEXSA-N 392.452 1.299 0 50 GDAA CN(Cc1ccno1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20539719 UEKYLQFZSCJSEG-MRXNPFEDSA-N 394.497 1.866 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 20654114 OASUANKVYQUSDP-GOSISDBHSA-N 388.468 1.114 0 50 GDAA COCCn1c(CN(C)C[C@@H]2CCCN2C)cnc1S(=O)(=O)CC1CC1 20598884 WAZOYWISZURQNT-INIZCTEOSA-N 384.546 1.239 0 50 GDAA Nc1nccc(-c2cnn(CC(=O)Nc3ccnn3Cc3cccc(F)c3)c2)n1 63856636 CPQCHFVMKMAMAV-UHFFFAOYSA-N 392.398 1.945 0 50 GDAA Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCN(C)CC2)cc1 20485820 LGHPEAZBNLSKLF-IBGZPJMESA-N 381.480 1.433 0 50 GDAA CCc1cc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)on1 67896308 AEWBHOCUKOHAGS-MRXNPFEDSA-N 378.517 1.676 0 50 GDAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCc1ccncc1 170625305 FIUXELZLRJLSIE-INIZCTEOSA-N 386.839 1.904 0 50 GDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)cc1OC 12094602 MUKJFWWJSXVWGU-KRWDZBQOSA-N 389.496 1.496 0 50 GDAA Cc1ocnc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71749734 UDPFSJDPNKHOTG-MRXNPFEDSA-N 390.484 1.158 0 50 GDAA CCC(=O)N1CCN(C(=O)c2csc(C(C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72425639 XZULZCAXHDRALM-KGLIPLIRSA-N 384.523 1.732 0 50 GDAA Cc1cccc(S(=O)(=O)Nc2cc(C(=N)O)ccc2S(N)(=O)=O)c1F 328593952 DGHQPWNVFIOIOV-UHFFFAOYSA-N 387.414 1.466 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCCC3)[C@@H]4C2=O)c1 77285324 VSEXRJAOQXYRRS-JYLXEMOASA-N 382.460 1.990 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CC(N3CCCCC3)C2)c1)N1CCCC1 215147448 OQMALKNKCXHDDH-UHFFFAOYSA-N 377.510 1.781 0 50 GDAA Cc1ccncc1NC(=O)C[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1 72430952 LJELHFAXWIWHLG-QGZVFWFLSA-N 389.477 1.949 0 50 GDAA CSCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71753794 PZIHEXZEOYHKHB-QGZVFWFLSA-N 390.553 1.764 0 50 GDAA CN(C)C(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)nc1 32590187 AYGPZIZXKKBXTJ-UHFFFAOYSA-N 382.420 1.361 0 50 GDAA COc1cc(CC(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)cc(OC)c1 72120857 BFLXLFUNASFSJB-GOSISDBHSA-N 376.497 1.942 0 50 GDAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O 375370229 OBTVBQGTZIOMOG-HXUWFJFHSA-N 385.464 1.873 0 50 GDAA CCCCc1nn(CC(=O)NC[C@@H]2Cc3ccccc3CN2C)c(=O)n1CC 77287057 AQEHBOFHKIIMHB-SFHVURJKSA-N 385.512 1.580 0 50 GDAA Cc1c(C)c2c(c(C)c1NC(=O)CCc1cc3n(n1)CCNC3)NC(=O)CO2 72425006 NQTISPOQLJTKJB-UHFFFAOYSA-N 383.452 1.814 0 50 GDAA CN(C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)C(C1CC1)C1CC1 20999478 YRMYYYXAISFCDY-HXUWFJFHSA-N 381.520 1.991 0 50 GDAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 177136212 LFOSNYBRKZYGCE-SFHVURJKSA-N 390.447 1.626 0 50 GDAA CN(CCn1ccc2ccccc21)c1cc([C@H]2CCOC2)nc(NCCO)n1 426647269 NCUXNOBTKOQAIA-KRWDZBQOSA-N 381.480 2.476 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 263838910 BGSMWZDGHKOITK-GOSISDBHSA-N 385.464 1.342 0 50 GDAA O=C(CCc1nc(-c2ccccc2)no1)NCc1cccnc1-n1cncn1 47122827 SBZRDEPYZBMUJY-UHFFFAOYSA-N 375.392 1.961 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)NCCCc1nnc2ccccn12 91892802 ZLAHYKYVFZTUAH-UHFFFAOYSA-N 376.420 1.647 0 50 GDAA Cc1cc(C(=O)N(Cc2cocn2)Cc2cocn2)cc(S(N)(=O)=O)c1C 97602141 NIYUKZRRKHFWEQ-UHFFFAOYSA-N 390.421 1.769 0 50 GDAA Cc1ccc2cc(CN3CCC(N)CC3)c(N3CCN(CCO)CC3)nc2c1 97711685 NSYPMMBJUOBPGN-UHFFFAOYSA-N 383.540 1.581 0 50 GDAA O=C(NCc1cc(-c2cccnc2)no1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95388720 JRVOIBRWJIADOO-INIZCTEOSA-N 377.404 1.797 0 50 GDAA Cc1nonc1N1CCN(C(=O)c2ccc3nnc([C@@H](O)C(C)C)n3c2)CC1 1940198363 JOWOXCXPNRYFGU-HNNXBMFYSA-N 385.428 1.073 0 50 GDAA CCOC(=O)N1CCC(N2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)CC1 39399892 VESSEQXYVDDQSG-HXUWFJFHSA-N 390.528 1.880 0 50 GDAA O=C(c1cncc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1)N1CCCC1 67650482 JLAMPVZOFYFEDW-DOTOQJQBSA-N 396.447 1.796 0 50 GDAA CC(C)c1ccc(-c2cccc(C(=O)NCCCN3CCNC(=O)C3)c2)nn1 299766247 HMOOJSNAKZHANO-UHFFFAOYSA-N 381.480 1.819 0 50 GDAA Cc1nn(CCNC(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)c(C)c1C 584901084 OWTBBDWRFLDIKO-HNNXBMFYSA-N 375.477 1.018 0 50 GDAA Cn1ccnc1CN(CCO)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 584888292 XPSWSYCRUIYZLN-CYBMUJFWSA-N 391.859 1.383 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@H](C2(NC(=O)C3=C4CCCN=C4NN3)CC2)C1 1875295927 AHTOLCXZTLFHTC-ZDUSSCGKSA-N 389.500 1.837 0 50 GDAA Cc1ccsc1C(=O)NCC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 952978592 BBYOEZUYPMKARC-AWEZNQCLSA-N 378.498 1.568 0 50 GDAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccn(-c3ccc(F)cc3)n1)C2 1875394694 SGXLQDUQAQIPSG-IUIKQTSFSA-N 395.394 1.987 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 1875371928 QIBLBXIWQVGKOV-UHFFFAOYSA-N 377.404 1.972 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CC1 1875365728 TUVAARXWTIRTQD-UHFFFAOYSA-N 383.492 1.633 0 50 GDAA C[C@@H](O)c1nc2ccc(NC(=O)CN3CCN(c4ncccn4)CC3)cc2[nH]1 952981456 WTBQNQMAJWJLIW-CYBMUJFWSA-N 381.440 1.167 0 50 GDAA Nc1nccc(C2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)n1 952979465 ISNCNPDASXDEPF-HNNXBMFYSA-N 380.452 1.209 0 50 GDAA Cc1cnn(CCC(=O)NCC2CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1 952970578 VZZNJEATDVFIOW-UHFFFAOYSA-N 399.499 1.106 0 50 GDAA CCN1C(=O)C[C@H](C(=O)NCCc2c[nH]c3ncccc23)[C@H]1c1cnn(C)c1C 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388.489 1.837 0 50 GDAA CC(C)NC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 11971640 WXDBOWWIXCMGNB-AWEZNQCLSA-N 377.470 1.442 0 50 GDAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(OC)cc3OC)CC2)O1 12051482 YDEXSWZFJWGTMC-SFHVURJKSA-N 392.496 1.980 0 50 GDAA COc1cc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)ccc1O 12053392 CLXRECNKNHAOIX-UHFFFAOYSA-N 387.484 1.365 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n2C)n1 12231375 AMHYVAAIPUJOMZ-UHFFFAOYSA-N 378.436 1.593 0 50 GDAA COc1cccc(OCc2cc(C(=O)N3CCN(c4cnccn4)CC3)n[nH]2)c1 12303455 AJOPAHQJXQXSDG-UHFFFAOYSA-N 394.435 1.750 0 50 GDAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN(C)C[C@H]1COCCO1 14992784 DETHAZFPYAGJOZ-KRWDZBQOSA-N 389.452 1.905 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)CC1 19300741 FVSKYQRCDWVRKN-HNNXBMFYSA-N 381.546 1.948 0 50 GDAA CN1CC[C@]2(C(=O)NCCc3ccncc3)CCCN(Cc3nccn3C)[C@H]2C1 1857666776 GEBYBXVIZRUFRJ-SIKLNZKXSA-N 396.539 1.460 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCc2ccccc2)C1)[C@H]1CCCO1 1857688994 AKHRWYKFVZDSLH-NNMXDRDESA-N 385.508 1.638 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2c[nH]c(=N)s2)cn1 1857711486 CIWRQLVIYVOMPV-HOCLYGCPSA-N 390.513 1.357 0 50 GDAA CCCO[C@@H]1CC[C@H](c2nc(CC(N)=O)nn2CCc2ccccc2)C[C@H]1N 1857735048 FCWATTWRPAQJJG-RCCFBDPRSA-N 385.512 1.939 0 50 GDAA COc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3cccnc3)CC[C@H]2O)ccn1 1875250019 RQFREXVDZXGVIQ-USXIJHARSA-N 384.436 1.061 0 50 GDAA COc1cc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)ccc1OCC(F)(F)F 263045542 WIGBQXNZTKBEIR-CQSZACIVSA-N 391.342 1.881 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)c2ccccc12 1704298398 FFIRIJIRBUWLKN-GJZGRUSLSA-N 379.434 1.695 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@H]1CCC(=O)N1 825038184 SZKZJLJUGWNJAA-CQSZACIVSA-N 379.482 1.275 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC12CC2 2325762985 JDZUXXUZRZDZLR-LLVKDONJSA-N 384.479 1.469 0 50 GDAA O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cc2c(s1)CCCNC2 2325778351 UYNMTWIWBUMNEL-UHFFFAOYSA-N 383.477 1.820 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cccc(N3CCCC3)c2)ncn1 2325786213 UJIXKUJOJLEQDL-IAGOWNOFSA-N 382.468 1.029 0 50 GDAA Cc1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)n[nH]1 1472250402 HYMKGAXRXPBPRW-OAHLLOKOSA-N 384.440 1.706 0 50 GDAA CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[P@@](=O)(O)OC[C@H]2O1 2522493 PGBAADZFIQHGBW-NGZCFLSTSA-N 383.301 1.368 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 2356136006 CJWMKPRNFSVIRA-IBGZPJMESA-N 386.477 1.493 0 50 GDAA Cn1ccc2ccc(C(=O)N3C[C@@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)nc21 2356155688 JIIJJJSYDZJVLG-WGQQHEPDSA-N 377.444 1.782 0 50 GDAA Cc1nsc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)C2CC2)n1 2356168560 ITEHHGIMHNLZHJ-WOCWXWTJSA-N 384.505 1.954 0 50 GDAA COC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)c1 225547983 BGPOSNOMOMKIIG-INIZCTEOSA-N 386.433 1.854 0 50 GDAA CN(C)C1(CNC(=O)[C@H]2CCCN2c2ncnc3sccc23)CCOCC1 113991441 DUXTVHMVGNKJAW-OAHLLOKOSA-N 389.525 1.887 0 50 GDAA CNC(=O)c1n[nH]c2c1[C@H](c1ccc(OC)c(Cn3cccn3)c1)CC(=O)N2 65399074 DRVHAINLXWQRGM-ZDUSSCGKSA-N 380.408 1.497 0 50 GDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC1 67601983 GFXCHHOPMGMQFO-UHFFFAOYSA-N 393.509 1.445 0 50 GDAA C[C@H]1CCc2n[nH]c(C(=O)N3CCCn4nc(C(=O)NC5CC5)cc4C3)c2C1 67473380 JRGZUVNVSAMANJ-LBPRGKRZSA-N 382.468 1.669 0 50 GDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 252457129 CHSOSMWDAACKRZ-MSOLQXFVSA-N 395.525 1.495 0 50 GDAA Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)s1 12586058 XVRLZTGNSOEQHQ-CYBMUJFWSA-N 383.543 1.188 0 50 GDAA O=C(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522552 JEXKDXABNDDMGM-UHFFFAOYSA-N 387.871 1.929 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCc3nn(C)cc32)c1 282464912 KRQYIMLGFNWTBB-OAHLLOKOSA-N 377.470 1.870 0 50 GDAA CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 363571921 WUDHPMOBPOBJNP-NIMBFUQJSA-N 398.459 1.911 0 50 GDAA CCN1CCN(C(=O)CCc2ccc(N(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77358284 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CN(C)C(=O)CSc1nc(N)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 91288573 QOCHWCRZOFPEPV-OAHLLOKOSA-N 386.525 1.732 0 50 GDAA Cc1nn(C)cc1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244874729 XGGZMOQCFDNPEB-WKILWMFISA-N 383.452 1.778 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)C1 252540140 OTXXFPNVPUGWHO-OTVXOJSOSA-N 379.424 1.318 0 50 GDAA C[C@@H](C(=O)Nc1nncs1)N1CCN(C(=O)COc2ccccc2)CC1 252488723 IXOQRRYUIOHCRC-ZDUSSCGKSA-N 375.454 1.088 0 50 GDAA CCc1nccn1CCNC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 534640880 KFJMRRWPHLVSIX-JKSUJKDBSA-N 386.452 1.734 0 50 GDAA O=C(CCc1cn[nH]c1)N1CCOC2(CCN(Cc3cccc(O)c3)CC2)C1 828925227 LXLOZAQFVIAKTF-UHFFFAOYSA-N 384.480 1.942 0 50 GDAA CCOC(=O)c1sc(NC(=O)CN(C)CCn2cccn2)c(C(=O)O)c1C 952849472 LDWKOTRHAQJSAQ-UHFFFAOYSA-N 394.453 1.698 0 50 GDAA O=C(CN1CCC(NC(=O)[C@@H]2CCC[C@H]2C2CCNCC2)CC1)NC1CC1 1875292827 UNTPWUBPJSYTGK-RBUKOAKNSA-N 376.545 1.262 0 50 GDAA O=C(NC[C@@H]1COCCC1(F)F)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875305638 GJKKZPDGEHYTIQ-GFCCVEGCSA-N 385.415 1.467 0 50 GDAA O=C(CCc1nc2cc(Cl)ccc2s1)NS(=O)(=O)Cc1ncon1 1875343090 PPIUTNATCOPOSK-UHFFFAOYSA-N 386.842 1.912 0 50 GDAA CN1CC[C@@H](CC(=O)NC[C@H]2[C@@H]3CN(C(=O)c4ccc5[nH]ccc5c4)C[C@H]23)C1=O 1875361054 PCIDYDCEQQJNBA-XLAORIBOSA-N 394.475 1.471 0 50 GDAA COc1cc(OC)cc(N2CC[C@@H](Nc3ncnc4c3NC(=O)CO4)C2=O)c1 1875341505 VUTHXFFFDIBCTO-CYBMUJFWSA-N 385.380 1.042 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)nn(C)c21 1875400742 KDYFHAGIGDWCTG-KGLIPLIRSA-N 397.479 1.504 0 50 GDAA O=C([C@@H]1CSCN1C(=O)C1CCCC1)N1CCC[C@](O)(C(F)(F)F)C1 408304927 FMAHMNSNQRXVKS-SWLSCSKDSA-N 380.432 1.994 0 50 GDAA COc1ncnc(N(C)C)c1NC(=O)N1C[C@@H](OC)C[C@@H]1c1nnc(C)o1 1775958015 XVGDMDKMWJRIFI-WDEREUQCSA-N 377.405 1.237 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)CCc3c(C)noc3C)[C@@H](O)C2)cs1 1565516035 NXEAAXACGODZAS-IRXDYDNUSA-N 378.498 1.741 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CCO1 272816768 UCHOWTNQKJSXQI-VBQJREDUSA-N 376.457 1.279 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 274966232 VTBSZZBEULAUMA-OAHLLOKOSA-N 376.438 1.492 0 50 GDAA Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)sc1C(=O)O 275307626 QZOGZXSPFFQIRU-UHFFFAOYSA-N 398.462 1.832 0 50 GDAA O=C(Nc1ccnn1C1CCCC1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1529120956 VWQZVPOJHMSNEJ-INIZCTEOSA-N 380.514 1.836 0 50 GDAA Cc1ccc2nc(CN3C[C@H]4CN(C(=O)C5CCOCC5)C[C@]4(CO)C3)cn2c1 1772700220 ABPWOEBZTMDURA-AVRDEDQJSA-N 398.507 1.322 0 50 GDAA CN(C)C[C@]1(CO)CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 1772701200 KKXPWDKTQZTDAT-OAHLLOKOSA-N 396.431 1.910 0 50 GDAA CN1CCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CC12CCOCC2 1775981306 JLFMXPMFLPATSB-UHFFFAOYSA-N 380.872 1.977 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2CN(C(=O)C3CCC3)C[C@]2(CO)C1 1772811781 ZASIMZGGGVDSOD-JLTOFOAXSA-N 387.436 1.500 0 50 GDAA COc1ccc(CNC(CO)CO)c(OC[C@@H](O)CN2CCCCCCC2)c1 12209809 VGRLMPWZACFLSV-IBGZPJMESA-N 396.528 1.144 0 50 GDAA COCCn1c(CN2C[C@H](C)O[C@H](C)C2)cnc1S(=O)(=O)CCC(C)C 19224818 SXWXWCBRPFXTNQ-IYBDPMFKSA-N 387.546 1.959 0 50 GDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2nncs2)CC1 1857689400 OYESALHBLGQCPO-INIZCTEOSA-N 392.456 1.952 0 50 GDAA CC(C)NC(=O)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857728705 MYZAWUQLLCHJJT-IBGZPJMESA-N 375.473 1.417 0 50 GDAA COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 8778531 JXOQBGMXULYHBD-UHFFFAOYSA-N 383.452 1.702 0 50 GDAA O=C(CN1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C(=O)O)C1)NCc1ccco1 247397464 MNOVPMDFFGPQFA-DYESRHJHSA-N 383.448 1.414 0 50 GDAA O=C(NCc1ccccc1N1CCOCC1)c1ccncc1N1CCOCC1 2325759936 MPYWIFJOPLSEMT-UHFFFAOYSA-N 382.464 1.685 0 50 GDAA O=C(CN1CCOc2cc(F)c(F)cc21)N[C@H](Cc1ccccc1)C(=O)O 2325862829 KCCKCCOHQJOHPP-OAHLLOKOSA-N 376.359 1.976 0 50 GDAA CCc1nocc1CN[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N(C)[C@H]1CCC(C)(C)C1 2332237674 HEXXXPOESKJJRS-ZMSDIMECSA-N 397.541 1.777 0 50 GDAA O=C(c1cnc2cccnn12)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356153327 BHAANCHNXWLYHR-NRFANRHFSA-N 390.447 1.922 0 50 GDAA O=C(c1cccc2nccnc12)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2356155528 GYYAXPPNPNZDME-WGQQHEPDSA-N 375.428 1.839 0 50 GDAA C[C@@H](O)CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCS(=O)(=O)CC1 225571646 ZBTYCNOJHDLCLE-LLVKDONJSA-N 392.880 1.678 0 50 GDAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 409415265 YNDOJEZBYFUHLS-GOSISDBHSA-N 397.431 1.965 0 50 GDAA O=C(Cn1cnnn1)N1CC[C@H](c2ccnc(-c3ccc4c(c3)CCO4)c2)C1 65426738 LUJFFOAISUZMKZ-KRWDZBQOSA-N 376.420 1.686 0 50 GDAA Cc1cccnc1CN(C)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72447178 FFRVRCPWGTUJTL-CQSZACIVSA-N 375.498 1.687 0 50 GDAA O=C(c1cc(=O)[nH]c(O)n1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 67855765 PKJAUTRROVCTOZ-AWEZNQCLSA-N 379.420 1.809 0 50 GDAA Cc1cc(C)cc(N2CCC(NC[C@H]3CN(S(C)(=O)=O)CCO3)CC2)c1 67690351 BEENUGRATXMSTH-IBGZPJMESA-N 381.542 1.522 0 50 GDAA O=C(NC1CC1)c1noc([C@H]2CCCN2c2ncnc3c2ncn3C2CC2)n1 431417171 HPNOOKRQOCMHNM-GFCCVEGCSA-N 380.412 1.778 0 50 GDAA Cn1nnc(-c2ccc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cc2)n1 170613818 VBAYPZWXYRBEHU-WMZOPIPTSA-N 384.484 1.637 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 67690879 DHOMBTNXWRNSPB-SFHVURJKSA-N 375.513 1.831 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c2cc(Br)ccc2n1 153407292 JOGSCMYPKAKABT-ZDUSSCGKSA-N 376.210 1.841 0 50 GDAA Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1 77426752 ZOQNUUVTLAHNDO-UHFFFAOYSA-N 378.432 1.941 0 50 GDAA O=C(NC[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1)[C@H]1CCCN1 261906916 SLVGRCYSKFHULY-DOTOQJQBSA-N 390.553 1.213 0 50 GDAA C[C@@H]1CN(c2ccccc2)CCN1c1nc2nonc2nc1N1CCOCC1 39461238 SRYXAZIPZHNKEV-CQSZACIVSA-N 381.440 1.565 0 50 GDAA C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(C)CC1 32594102 XJSPGUPXIMOZON-GFCCVEGCSA-N 376.320 1.363 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc(C)c1OCC(=O)O 262175806 LWWWWACVXIFNMU-HNNXBMFYSA-N 386.408 1.036 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 72161601 HGEOVAUVOUTCCJ-QGZVFWFLSA-N 389.475 1.897 0 50 GDAA NC1(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 72157331 UFEULIZMBWTRHY-QGZVFWFLSA-N 386.496 1.015 0 50 GDAA COCCN1C[C@]2(CCCN(Cc3ccc(C(=O)N(C)C)o3)C2)CCC1=O 77521988 FOWIEAZHRWMRQL-HXUWFJFHSA-N 377.485 1.832 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(OC)c(O)c3)C2)CC1 72149623 XIZZJWAYDDGJDF-MRXNPFEDSA-N 391.468 1.780 0 50 GDAA O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1c[nH]c2cc(N3CCOCC3)c(F)cc2c1=O 222275349 FGYISSRKVZRPSP-ONUMYQOESA-N 387.411 1.411 0 50 GDAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)N1CCS[C@@H]2COCC[C@H]21 242156006 WVADLPGBKCEJQJ-UKRRQHHQSA-N 391.424 1.220 0 50 GDAA CCS(=O)(=O)c1ccccc1N1CCC(n2cnc(C(N)=O)c2N)CC1 291205004 UUOBYGBNFTXPKV-UHFFFAOYSA-N 377.470 1.199 0 50 GDAA NC(=O)COc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)c1 426491608 XNPGXDJRUJUORF-QGZVFWFLSA-N 381.432 1.555 0 50 GDAA CCNC(=O)Nc1ccc([C@H](C(=O)O)N2CCN(c3cnccn3)CC2)cc1 95392792 MADZYONLOANJNZ-QGZVFWFLSA-N 384.440 1.566 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C 91988366 YYFONCRVOXORSX-KRWDZBQOSA-N 382.464 1.893 0 50 GDAA Cn1nccc1CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 426428243 GZTJKKBFTGFRHU-LPBNZCGVSA-N 379.508 1.037 0 50 GDAA Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1N1CCNC1=O 91907747 PKXYRUFUBKSOTM-GOSISDBHSA-N 378.432 1.577 0 50 GDAA CN1CCN(C[C@H](O)COc2ccc(CN3CCOC(C)(C)C3)cc2)CC1 95519277 ODLGVNPNSNTLHB-IBGZPJMESA-N 377.529 1.285 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1 247908921 JEIKUWMVLAKRLP-GOEBONIOSA-N 382.482 1.391 0 50 GDAA COc1ccc([C@H](NC(=O)CN2CCCN(C)CC2)[C@H]2C[C@@H](O)C2)cc1F 244608564 FETSLTYQVTVNHH-YRNRMSPPSA-N 379.476 1.400 0 50 GDAA COc1cccc(OC)c1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299783255 ZIZKJBJMSNRLCM-YYQBIWNASA-N 377.437 1.332 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)n1 827696730 RYSVNORYAITZLX-KRWDZBQOSA-N 394.479 1.186 0 50 GDAA CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCc1ccc(OCCC(C)C)cc1 821158208 MEGGWGOILGXLEN-SFHVURJKSA-N 377.485 1.540 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)ccc21 670468420 WLEJBKDXSPQROL-UHFFFAOYSA-N 389.481 1.348 0 50 GDAA Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1CC[S@](=O)CC[C@@H]1C 1875264006 ZJQJTDRJLQRJLN-JGTBNHKDSA-N 388.493 1.855 0 50 GDAA CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H]2CN[C@@H]1C2 1875274135 MAGDYQBOJLZLIU-KSZJFAHPSA-N 387.402 1.837 0 50 GDAA C=CC(=O)N[C@@H](C)c1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1 1875386120 JGVWMFWRUUHMJT-AWEZNQCLSA-N 376.420 1.956 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1875389630 VSCOJSAUBXIOJI-QGZVFWFLSA-N 380.404 1.596 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](n3ccc(O)nc3=O)C2)c(C(C)(C)C)n1 1875346177 VXHGZPKSRNNRJL-GFCCVEGCSA-N 395.485 1.006 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ccc3c(c2)oc(=O)n3C)ncn1 1875398537 UYMLLTHUBSYCCP-HUUCEWRRSA-N 398.467 1.035 0 50 GDAA O=C1CC[C@@](CNC(=O)N2CCO[C@H]3[C@@H]2[C@@H]3C(F)(F)F)(c2ccccc2)N1 1875404267 CAQBSAGLDOASQW-LJIGWXMPSA-N 383.370 1.763 0 50 GDAA Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccc(OC(C)C)cc1 269036979 OSQJCHLAXCBXOF-MRXNPFEDSA-N 388.424 1.679 0 50 GDAA O=C1[C@@H]2CC[C@@H](CN(c3nnnn3-c3ccccc3)C2)N1Cc1cscn1 1565505904 WUBFOUWPEHZFEK-CJNGLKHVSA-N 381.465 1.746 0 50 GDAA Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCN(C)C)cc1Cl 1565513933 FJCGHMOYXSNZDZ-HOTGVXAUSA-N 376.906 1.662 0 50 GDAA CCCn1ncc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c1C 1565525267 LJYIGYHCYNZPGQ-ROUUACIJSA-N 375.473 1.572 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1ccco1 408521059 GPIFWYIQCGLNBK-XZNUQZSUSA-N 388.445 1.922 0 50 GDAA Cn1nc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1OC(F)F 185682074 FPQGYCGTRJIHNM-UHFFFAOYSA-N 396.398 1.630 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)cn1C 273252702 VCIBPCMLQXIARD-CYBMUJFWSA-N 394.501 1.125 0 50 GDAA Cc1cc(NC(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)no1 275826789 VCMJKOXIDHPEFY-ZDUSSCGKSA-N 375.433 1.283 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1ccccn1)[C@H]1CCCNCC1 186562708 SLRXCPJLBOPVQR-IBGZPJMESA-N 391.479 1.771 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cnn3c1NCCC3)CO2 1529120817 MFUYPXBYUZZWLU-CQSZACIVSA-N 398.467 1.627 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC[C@H](O)[C@@H](O)C2)ccc1F 1704315990 HYLQVXYELHRXBX-STQMWFEESA-N 379.388 1.123 0 50 GDAA CNC(=O)CCC(C)(C)NC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772810269 JXGVNBDLXBJKTR-CYBMUJFWSA-N 394.541 1.506 0 50 GDAA Cc1cnc(C(=O)N2C[C@H]3CN(c4ncccc4F)C[C@@]3(CN(C)C)C2)cn1 1772804169 IGDKMLIEJSPGIG-QRWLVFNGSA-N 384.459 1.459 0 50 GDAA COc1ccc(Cn2cc(C(=O)N3CCN(CC(C)C)C(=O)[C@@H]3C)nn2)cc1 11872955 BLPGWOWWIVOTCB-HNNXBMFYSA-N 385.468 1.664 0 50 GDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCN1CCC(c2ccccc2)CC1 12708925 KQPHURVHFWPLBN-HXUWFJFHSA-N 386.540 1.581 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)CC(=O)NCCO2 1857691600 RSVITBVDYWVBOJ-UHFFFAOYSA-N 382.482 1.372 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(S(=O)(=O)C1CCOCC1)CC2 1857697264 MMWGLKBCPTYIIN-UHFFFAOYSA-N 375.494 1.997 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCCN3CCCc4ccccc43)CC2=O)s1 1857700506 VPFVLFNGWBWDEK-HNNXBMFYSA-N 385.493 1.768 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)C[C@@H]12 1857735420 DGINXXCRJXBRQS-JZXOWHBKSA-N 394.518 1.188 0 50 GDAA Cc1nc(=N)[nH]cc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857738106 RKJGCBJDUIBBAZ-HLLBOEOZSA-N 387.871 1.795 0 50 GDAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857739369 PCGCDIYXYPESBP-TXPKVOOTSA-N 384.480 1.287 0 50 GDAA O=C(O)CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CCOCC1 328595569 YKAAHLDMXPVPFS-UHFFFAOYSA-N 376.331 1.349 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)ncn2C 1253571169 VZRMMEBHJYJTJD-AWEZNQCLSA-N 387.465 1.999 0 50 GDAA C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)C1CCCC1 839282313 RERYEEPAMUOACE-CYBMUJFWSA-N 387.523 1.813 0 50 GDAA CCOC(=O)C1=C(CN[C@H](CO)c2cccc(Cl)c2F)NC(=O)N[C@H]1C 2325699970 HHGMBWSCXNWLMJ-TVQRCGJNSA-N 385.823 1.621 0 50 GDAA CN1CCN(C[C@@H](NC(=O)[C@H]2CCCc3nnn(C)c32)c2ccccc2)CC1 2325773315 JOZVODIVARXEFS-PKOBYXMFSA-N 382.512 1.340 0 50 GDAA CCOCC1(C(=O)N2CCC(C)(NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC2)CC1 2325793082 DZOPBQJVFFWEDA-HNNXBMFYSA-N 395.544 1.851 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2CCOc1ccccc1 801704 JURHQZDDCLXXTD-UHFFFAOYSA-N 381.392 1.707 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCC(=O)c1ccccc1 841953 DTIIYDNFLJTHBF-UHFFFAOYSA-N 377.198 1.459 0 50 GDAA Cc1cccc(N=c2[nH]c(CN3CCC4(CC3)C[C@@](C)(O)CCO4)nc(=N)[nH]2)c1 2356141211 YHGDATNNNQOSLA-FQEVSTJZSA-N 398.511 1.654 0 50 GDAA O=C(CCc1ccc(O)nn1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356148822 UUAUHIOADLYVOJ-UHFFFAOYSA-N 378.436 1.382 0 50 GDAA O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1 4520676 FPTYMBPHJFEWHX-UHFFFAOYSA-N 375.812 1.647 0 50 GDAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)c1 4742140 LKAIUSLHGKPTPT-AWEZNQCLSA-N 383.451 1.762 0 50 GDAA COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1Cl 6143306 CWYBISGNQQXNAU-UHFFFAOYSA-N 383.857 1.681 0 50 GDAA CCc1cnc(N2CCc3c(cnc(C)c3-c3noc(CNC(C)=O)n3)C2)nc1 20918131 MKNVEWKCUMHGII-UHFFFAOYSA-N 393.451 1.991 0 50 GDAA Cc1cccc(S(=O)(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)c1 67630278 OPHMDGVUSTWLIP-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2cn3ccsc3n2)CC1 67473024 QDRRMWOACADSFH-UHFFFAOYSA-N 384.465 1.389 0 50 GDAA Cc1c(Br)c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)nn1C 653927 JEWKNEZYMLZTMU-LLVKDONJSA-N 387.131 1.912 0 50 GDAA COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC 1542392 WNMJYKCGWZFFKR-AWEZNQCLSA-N 389.456 1.351 0 50 GDAA biogenic,fda CCOC(=O)N1CCN([C@@H]2CCCN(c3cncc(C(=O)OC)n3)C2)CC1 72161937 YASSGJPXXOHDIE-CQSZACIVSA-N 377.445 1.006 0 50 GDAA O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(Br)cn1 35898047 RESHZORIXPTKKK-ZDUSSCGKSA-N 397.273 1.106 0 50 GDAA COc1cccc(OCCN2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)c1 156042999 HYHBBAUGDDEYRX-UHFFFAOYSA-N 395.463 1.814 0 50 GDAA CNCC1CCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 237099446 NTUOQXWLGPVRJO-UHFFFAOYSA-N 379.486 1.014 0 50 GDAA NC(=O)c1ncn(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1N 282802435 ALGGMZLCOYBVCL-UHFFFAOYSA-N 382.346 1.455 0 50 GDAA Cn1cc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)cn1 173678142 WLHWVWXICGUEGP-KRWDZBQOSA-N 399.470 1.760 0 50 GDAA CCS(=O)(=O)NCCS(=O)(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 376305991 BJLGEGXXCBVEET-HOTGVXAUSA-N 386.539 1.039 0 50 GDAA CCOC(=O)C1CCN(C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CC1 15067574 SIFQUSCZRBXLNR-OAQYLSRUSA-N 392.471 1.954 0 50 GDAA CC1=C[C@H]2C(=O)NC(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)=N[C@@H]2S1 71376043 DMUWYMHWFJDEFO-MGPLVRAMSA-N 387.490 1.778 0 50 GDAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c1 72165853 NPEPMUWDWQMVRR-HNNXBMFYSA-N 376.420 1.466 0 50 GDAA CCCN1CCCn2nc(CNC(=O)CCN3CCCCCC3=O)cc2C1 82167108 CYUCLDKBQWILAW-UHFFFAOYSA-N 375.517 1.908 0 50 GDAA COc1cccc(OC)c1CN1CCC2(CC1)C[C@H](C(=O)O)N(C(C)=O)C2 82135073 ACFUHVBDRCKSJS-MRXNPFEDSA-N 376.453 1.991 0 50 GDAA COC(=O)c1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc1 40285722 ZHIHKDLZJZHPFR-UHFFFAOYSA-N 381.392 1.471 0 50 GDAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1 95378041 PURDYIZYZVVQIY-LLVKDONJSA-N 385.449 1.454 0 50 GDAA Cc1noc(C)c1CCC(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91756860 LGDDYXIMEBJHQO-LTCOOKNTSA-N 379.501 1.400 0 50 GDAA CS(=O)(=O)CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 91943540 BUAFKVJVVFRTIA-FQEVSTJZSA-N 392.521 1.505 0 50 GDAA Cc1nc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cs1 96148478 QSNYMJXWLLFBAD-UHFFFAOYSA-N 376.530 1.792 0 50 GDAA COc1cc(NC(=O)NCCS(=O)(=O)N2CCCC2)c2ncccc2c1 95523270 IIFNFAOKBLYTKC-UHFFFAOYSA-N 378.454 1.791 0 50 GDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1nc(N2CCCC2)ncc1Cl 299752084 SRWYWKYVRSBUDJ-GFCCVEGCSA-N 382.848 1.826 0 50 GDAA COc1ccc(-c2noc([C@H](C)NC(=O)N3CCN(CCO)CC3)n2)cc1 534588193 TVVBARWHDBQIKT-ZDUSSCGKSA-N 375.429 1.126 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1Cl 264256279 CNWYXNPYNPPRBP-GFCCVEGCSA-N 388.294 1.858 0 50 GDAA O=C(O)[C@@H]1CCCN(C2CCN(CCS(=O)(=O)c3ccccc3)CC2)C1 534660591 YQDNSXVTSUKLPO-MRXNPFEDSA-N 380.510 1.721 0 50 GDAA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2ccc(F)cc2o1 285764741 SWJMRBIYFMEBPI-GXFFZTMASA-N 382.413 1.380 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 1940196532 QQOXMJPPCSQVHW-CQSZACIVSA-N 388.855 1.788 0 50 GDAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ccc4c(c3)CCO4)C[C@@H]2O)no1 1940196593 UQEXABVBXSBPQF-ZOBUZTSGSA-N 385.420 1.104 0 50 GDAA O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1ccc2nnnn2c1 828172302 ZLGQNFUACNQTNT-INIZCTEOSA-N 392.463 1.701 0 50 GDAA COc1ccc(NC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)cc1S(=O)(=O)N(C)C 952886921 DYCISGNUDSRBEP-NEPJUHHUSA-N 399.469 1.520 0 50 GDAA O=C(O)C[C@H](CNS(=O)(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)O 1875266753 FKIBCLOOHWQGQP-SNVBAGLBSA-N 383.344 1.343 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]3NC(=O)C[C@@H]32)(c2ccccc2)CC1 1875370088 BGLWDYOWZHZRAU-ROUUACIJSA-N 381.476 1.612 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC(n3nnnc3C(F)(F)F)C2)cc1 1875382968 ZTWFZTZNGAVTOA-UHFFFAOYSA-N 380.330 1.538 0 50 GDAA O=C(CCC(=O)NC1CCN(C(=O)c2ccco2)CC1)Nc1nncs1 952966143 GBQSWIJKEKMNRW-UHFFFAOYSA-N 377.426 1.271 0 50 GDAA 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CCN1CCN(Cc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)CC1 67641678 NJPXTMWTWXXGKY-UHFFFAOYSA-N 375.517 1.513 0 50 GDAA O=C([C@@H]1C[C@@H](O)CN1)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67919662 XRSUMBPGISOMDS-ZBFHGGJFSA-N 389.839 1.551 0 50 GDAA COc1cc(OC)nc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71760797 ONRFNBFDTBCUNV-CQSZACIVSA-N 389.500 1.453 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(Cc3cscn3)CC2)C1)N1CCOCC1 71771084 RHGGWOALMLBISH-MRXNPFEDSA-N 378.542 1.678 0 50 GDAA CC(C)(N)C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72121796 BVEVDEMGBIDGBC-KRWDZBQOSA-N 388.512 1.261 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 77322346 JYOYHHYXBUFRHI-CABCVRRESA-N 375.450 1.203 0 50 GDAA CN(Cc1nc2ccccc2s1)C(=O)c1cnc(Cn2cncn2)nc1O 91255078 YURNDFBMYDLLPC-UHFFFAOYSA-N 381.421 1.704 0 50 GDAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)CCC1=O 91643633 QOWNFYXESRQRQA-FQEVSTJZSA-N 392.500 1.158 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)NCCc1nc(-c2ccccn2)no1 91756431 RSCKQWPAXZLKJN-UHFFFAOYSA-N 376.376 1.200 0 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Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2c(C)nc3ncccn23)[C@H](O)C1 299770276 OYSIDFUMJFQIBN-HZPDHXFCSA-N 384.440 1.008 0 50 GDAA O=C(Nc1nc2c(s1)COCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1 368456431 ABZNCAXYPYFOCK-LLVKDONJSA-N 386.499 1.248 0 50 GDAA C[C@@H]1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC[C@H]1N1CCN(C)CC1 378318227 PTOFVTGMWNCOKM-WIYYLYMNSA-N 398.551 1.907 0 50 GDAA Cc1nc(CCN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)no1 426517951 PJVMBNIJUUFVBE-KRWDZBQOSA-N 385.468 1.078 0 50 GDAA CCNC(=O)N1CCC(NC(=O)N2CC(Oc3ccccc3OC)C2)CC1 584887193 DLFSHCHMMHGBCN-UHFFFAOYSA-N 376.457 1.662 0 50 GDAA Cc1ccc(C(=O)N2CCC(C(=O)NCCN3CCCC[C@H]3CO)CC2)cc1 670473719 SEFCODBSPOMEHS-FQEVSTJZSA-N 387.524 1.810 0 50 GDAA NC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C4CC4)cc3)CC2)cc1 772226706 CXWXSFOKSDCBPW-UHFFFAOYSA-N 392.459 1.950 0 50 GDAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1c(C)cc(C)c2nonc12 822831080 VAOXKFONTIYWAE-CYBMUJFWSA-N 380.470 1.861 0 50 GDAA CN(C)c1nc2cc(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)ccc2o1 952845383 GMBUUZKYPPOHDF-CQSZACIVSA-N 386.374 1.887 0 50 GDAA O=C(CCc1ccccn1)NCC1CCN(S(=O)(=O)N2CCCC2)CC1 952984866 OHFUFMNOQRAERB-UHFFFAOYSA-N 380.514 1.183 0 50 GDAA CCCC(=O)NC[C@H]1CCCN(c2nnnn2C[C@@H]2CC(=O)N(CCC)C2)C1 1334372013 PJXMUUXFMPUKNF-HZPDHXFCSA-N 391.520 1.064 0 50 GDAA COc1cccc2c(C)cc(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)nc12 1529098535 HRCMMMMDJOVWAT-DZGCQCFKSA-N 379.482 1.240 0 50 GDAA O=C1CCCN1CCCC(=O)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1615958530 ZDOPXCIIJZLSEA-PXNSSMCTSA-N 381.476 1.999 0 50 GDAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)[C@H]1O 1772706966 OJVMDDMPLCZZEC-RBUKOAKNSA-N 386.452 1.214 0 50 GDAA Cc1noc(C)c1C(=O)N1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3)CC2)C1 1775993376 ZMSLDHQTMXCTLV-MRXNPFEDSA-N 390.484 1.077 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccn(C)c3C)CC(=O)N2[C@H]1c1ccccc1 1857724179 OVTNBAFPCYDBHT-QRFRQXIXSA-N 395.459 1.921 0 50 GDAA Cn1cc([C@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)[nH]n3)C2)nn1 1875286475 UKKSBVFOPFVZDB-AWEZNQCLSA-N 394.435 1.996 0 50 GDAA COC(=O)[C@@]12CC[C@@](CNC(=O)c3cc(C4CC4)nc4c3cnn4C)(C1)OC2 1875301212 DYMQXVRAXMXCBV-PMACEKPBSA-N 384.436 1.688 0 50 GDAA CC(=O)Nc1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)ccn1 1875359169 WRGUJHDWBRZQPB-UHFFFAOYSA-N 385.472 1.288 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)C1 1875371327 XJTFAFOGWYNPBA-KBPBESRZSA-N 376.482 1.745 0 50 GDAA Cc1nn(-c2ccccc2)c2nc(C(=O)NCCC3(O)CCNCC3)ccc12 2325778500 AZGYTSSAZCNXPL-UHFFFAOYSA-N 379.464 1.963 0 50 GDAA O=C(c1ccc(C(F)(F)F)[nH]1)N1CC([C@H](F)Cn2cc(C3(O)CC3)nn2)C1 2325879522 YGESCKOIWKNQNG-SNVBAGLBSA-N 387.337 1.717 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)c3cn4c(n3)CCNCC4)CC1)OCC2 2356158209 FKDPVJOIOYUMIZ-UHFFFAOYSA-N 396.491 1.742 0 50 GDAA O=C(Cc1cnc(O)nc1O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356165535 CWTSWOMZSNSVGF-HXUWFJFHSA-N 397.435 1.009 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 2800515 HKURJEJWWDJBHL-AWEZNQCLSA-N 385.917 1.660 0 50 GDAA CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccncc2)cc1 4414066 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O=C(NCCN1CCCOC1=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223236419 NENBTOJIYROGHF-LBPRGKRZSA-N 386.374 1.885 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(c2ncon2)CC1 426380478 NOXOVGJYZKJAPA-KRWDZBQOSA-N 383.452 1.166 0 50 GDAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](n3cccn3)C2)nc1 291294569 JDUIVQZHRQGMKP-ZDUSSCGKSA-N 392.485 1.834 0 50 GDAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)CCO)c1 95520668 MRLPDMYSCWZBQX-UHFFFAOYSA-N 376.453 1.539 0 50 GDAA CCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c1 95359566 FBPLTXLTRFGKAI-AWEZNQCLSA-N 380.466 1.501 0 50 GDAA O=C(CN1CCC[C@H](c2nccn2Cc2cscn2)C1)N1CCOCC1 95360437 PMGGIUZXDPGNPT-HNNXBMFYSA-N 375.498 1.426 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCN(c3cnccn3)C[C@H]2O)c2ccc(F)cc2n1 244778595 PTJSTMWZEZEBQD-SJLPKXTDSA-N 381.411 1.842 0 50 GDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3ccc(O)cc3)N=C2O)cc1 252523074 BUZPLKFGDRPCGW-GOSISDBHSA-N 397.431 1.775 0 50 GDAA O=C(c1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1)N1CCCNCC1 534660306 QKQGMOOGUDOBAD-UHFFFAOYSA-N 379.464 1.815 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1O)c1cccc2cc[nH]c12 1940197793 RDGCCEYQIGUIAK-IAOVAPTHSA-N 381.436 1.119 0 50 GDAA CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1cccc2cnccc12 1875286417 QUNOYMYYZUAJJY-AUUYWEPGSA-N 382.464 1.870 0 50 GDAA CN1CCN([C@@H]2CCN(c3nc4[nH]cnc4c(=Nc4ccccc4)[nH]3)C2)CC1 1875269713 HRGZBQWZQFUJRM-MRXNPFEDSA-N 378.484 1.345 0 50 GDAA CN(C)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)[C@@]3(F)CCOC3)C2)cc1 1875303365 QLVSPAZDAKJVSB-MGPUTAFESA-N 377.460 1.850 0 50 GDAA C[C@]1(NC(=O)c2scc3c2OCCO3)CCN(C(=O)Cc2cscn2)C1 1875309291 FJZNEIHAYCPLGN-KRWDZBQOSA-N 393.490 1.939 0 50 GDAA C[C@H]1COCCN1[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2ccncc2)c1 1875300562 IGJBFGXQIADTLO-CVEARBPZSA-N 382.464 1.913 0 50 GDAA NC[C@@H]1CN(S(=O)(=O)c2ccc(F)c3cnccc23)C2(CCOCC2)C1 1875306015 PQFHZUNACZOLCE-CYBMUJFWSA-N 379.457 1.892 0 50 GDAA Cc1ccn2ncc(C(=O)N[C@H]3CCN(Cc4nnnn4C4CC4)[C@H](C)C3)c2c1 1875334699 AECLJAGYFVADFZ-CABCVRRESA-N 394.483 1.747 0 50 GDAA COc1ccc(C2(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)CCOCC2)cc1 1875403328 SZAVLMQDMPITRY-NSISKUIASA-N 399.491 1.896 0 50 GDAA CCC1(CO)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)CC1 1875404200 ZKHYYPQCBIQLLG-QGZVFWFLSA-N 389.544 1.858 0 50 GDAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)[C@H]1CCCN(CC(N)=O)C1 952967106 GSQRTGXWVXVPDE-AWEZNQCLSA-N 387.484 1.160 0 50 GDAA Cn1cc(S(=O)(=O)NC(=O)C[C@H]2CCCCC2(C)C)cc1C(=O)C(N)=O 888096631 DDASAIOEWXRLSW-LLVKDONJSA-N 383.470 1.105 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1565531338 CUJLTMMGOZLTRK-MOPGFXCFSA-N 385.489 1.514 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)cnc1C 408362017 LAWNDUGUCFKSCE-SJKOYZFVSA-N 384.454 1.135 0 50 GDAA O=C(NCC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1OC(F)F 109679357 OKOKMVCHGHJPFA-GFCCVEGCSA-N 379.367 1.473 0 50 GDAA CCCCn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc(CO)n2CCC 170621610 BYYYXEMBBCZFFL-UHFFFAOYSA-N 391.516 1.548 0 50 GDAA NS(=O)(=O)c1ccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 171621350 IXTXQPCWWCKRCQ-AWEZNQCLSA-N 391.497 1.130 0 50 GDAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 730792272 FIFABMLOFCPIHB-IBGZPJMESA-N 399.834 1.677 0 50 GDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2nc3ncccn3n2)cc1 1073335200 PVXJYLDGURJZLM-SJORKVTESA-N 392.463 1.870 0 50 GDAA CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 1260974616 LFLPOKOZUUXRCL-UHFFFAOYSA-N 375.878 1.821 0 50 GDAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cc(N2CCOCC2)no1 1772814867 RXCQNUKHRWWDIL-MRXNPFEDSA-N 382.424 1.664 0 50 GDAA Cc1cc(C)n(CCC(=O)N2CCCN(c3cccc(C(=O)N(C)C)n3)CC2)n1 1772808781 BBZQSTXCMFYUDN-UHFFFAOYSA-N 398.511 1.726 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cnn(C)c2)CC1 15065158 APFOJCJZGGREEN-XJDXJNMNSA-N 390.528 1.799 0 50 GDAA Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2)s1 1857683597 JWLLYLPISLTUHM-LJQANCHMSA-N 393.509 1.630 0 50 GDAA COc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)c(F)c1 1857683623 YCOPXIUWYQZBCS-DYESRHJHSA-N 385.439 1.994 0 50 GDAA CCn1cc(-c2nnc3n2C[C@@]2(CCN(C(=O)c4cscn4)C2)OC3)cn1 1857684502 QJRCRXUOHLUJAX-KRWDZBQOSA-N 385.453 1.433 0 50 GDAA CN1CCn2nc(C(=O)N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)cc2C1=O 1857696978 HHCUTSUOKHAGIJ-CQSZACIVSA-N 392.463 1.940 0 50 GDAA Cc1cc(CC(=O)N[C@@H]2CN(C(=O)c3cc4sccc4[nH]3)CC[C@@H]2O)on1 1857700552 WPRGNPCWRZBUPV-CABCVRRESA-N 388.449 1.460 0 50 GDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)CC(C)C)CCCNC2=O 1857703017 FDQACCYEGXFWCQ-UHFFFAOYSA-N 391.468 1.198 0 50 GDAA O=C(CN1CCOC1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857712922 WYEOSTSENOCEDV-OWCLPIDISA-N 379.844 1.423 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)CCn2c(O)nc3ccccc32)CC[C@H]1O 1857724313 USFKVPKUVNIJHC-XLIONFOSSA-N 391.468 1.131 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCc3nnc4ccccn34)CC2=O)s1 1857729332 WZWALEDNMJRYJM-LLVKDONJSA-N 385.453 1.203 0 50 GDAA COCCOc1cc(O)cc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)c1 1857736918 QVVJTAQWPJZURK-GJYPPUQNSA-N 378.469 1.645 0 50 GDAA CC1CCN(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)CC1 1857741618 FPLBJICSXCADNT-CEXWTWQISA-N 379.526 1.767 0 50 GDAA C[C@H](C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)n1ccc(C(F)(F)F)n1 910367865 MMWUMLCTUQFPJI-ZJUUUORDSA-N 380.392 1.708 0 50 GDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O)c1cc[nH]c1 2100541254 XWEFLCHATWJXNY-BAYUQKDNSA-N 389.459 1.816 0 50 GDAA Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 8656837 BJVLZXNAJUEAFT-UHFFFAOYSA-N 381.436 1.446 0 50 GDAA CO[C@@H]1C[C@H](CNC(=O)Cc2cn3cccc(C)c3n2)N(c2cc(C)ncn2)C1 2325804028 PYJGMDRLKBBESI-QZTJIDSGSA-N 394.479 1.694 0 50 GDAA CCCc1nc(C(=O)NC[C@H](NC(=O)[C@H]2CCCC(=O)N2)c2ccccc2)co1 2325850971 MCULOVKLMUEDOA-CVEARBPZSA-N 398.463 1.883 0 50 GDAA CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1 151562197 QDMBDTAOKUVNFJ-APPDUMDISA-N 378.425 1.915 0 50 GDAA O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)OCc1ccccc1 4103877 GAGIRJUQUKDODJ-UHFFFAOYSA-N 393.378 1.919 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1 13424799 NXIUIOFJKMTCKN-JEWRLFTDSA-N 380.393 1.090 0 50 GDAA biogenic Cc1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@H]3C2)c1 14742129 VAHIANILHVDCBS-VQTJNVASSA-N 391.471 1.731 0 50 GDAA Cc1ccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14747281 JXTIUXRUIPPJSP-RBUKOAKNSA-N 377.444 1.389 0 50 GDAA CCOC(=O)CCNC(=O)COc1ccc(N(C)Cc2ccc(F)cc2)nn1 15003218 VPPRXBXQSUYNJW-UHFFFAOYSA-N 390.415 1.700 0 50 GDAA CN(C)CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)cc1 20859782 VNKSOIAWFASTPN-LJQANCHMSA-N 394.475 1.370 0 50 GDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN(c2ccccn2)CC1 40287235 OQUGHPQHHNXSDW-UHFFFAOYSA-N 393.422 1.793 0 50 GDAA O=C(CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)NC1CC1 71753309 UCQSVURLWAUEPX-GOSISDBHSA-N 399.539 1.153 0 50 GDAA CCc1ccc2occ(CC(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 77380141 UIAZPCBFBJUPRD-SJORKVTESA-N 376.478 1.477 0 50 GDAA CC[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 77521602 KBFDCSCTNUZYNT-KRWDZBQOSA-N 392.481 1.084 0 50 GDAA O=C(NCc1nnc2n1CCCC2)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 91656008 COHKJSHXKCEISQ-OAHLLOKOSA-N 385.443 1.809 0 50 GDAA Cc1nn(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)c2ccccc12 91973860 AHOLEELPPRFDKW-HNNXBMFYSA-N 376.416 1.627 0 50 GDAA COc1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1OC 137249591 SWQHCHNNCXZSFB-KRWDZBQOSA-N 382.445 1.210 0 50 GDAA Cc1cn2nc(C(=O)N3CCC(C(=O)NC4CCC(C)CC4)CC3)cc2c(=O)[nH]1 169768536 AHKPJWLKAKUOLL-UHFFFAOYSA-N 399.495 1.878 0 50 GDAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 180677010 VQYZYTHTMVLTGD-UGSOOPFHSA-N 377.460 1.182 0 50 GDAA CC1(C)CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCS1(=O)=O 194975312 PBUKIMFXYSQGEW-KRWDZBQOSA-N 398.500 1.625 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCn2cccn2)c1)N1CCC(F)(F)CC1 215546005 RVPAMPIZWVNDCI-UHFFFAOYSA-N 398.435 1.733 0 50 GDAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@H]1CS(=O)(=O)c2ccccc21 222310954 FMSWBVUWRIRCMB-IFIJOSMWSA-N 382.507 1.869 0 50 GDAA O=C(O)CNC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 238197271 XHHRBWXOUYFDNJ-UHFFFAOYSA-N 388.855 1.872 0 50 GDAA N[C@H]1CC[C@@H](n2cc(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)nn2)CC1 244700972 JXKQMXYGQDLZCZ-KSZLIROESA-N 394.483 1.873 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 266363994 QCFFYVOYZUUVCW-CYBMUJFWSA-N 377.422 1.841 0 50 GDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCN1C(=O)COc2ccccc21 268941695 JXGIYTBVAQACAN-QGZVFWFLSA-N 380.400 1.840 0 50 GDAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)c1 275631695 JRBAPNXXJVVRLO-UONOGXRCSA-N 384.860 1.660 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CC(=O)N1CCNC1=O)CC2 276402957 KNCZZRYPUUIWPB-INIZCTEOSA-N 390.509 1.503 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)Nc2ccc(F)cn2)C[C@H]1C(F)(F)F 286966219 CILJEMQRWZQPJS-NXEZZACHSA-N 384.355 1.507 0 50 GDAA Cc1ncc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccccc3)n2)c(N)n1 289176636 VYQGMXLIPMTZSG-CQSZACIVSA-N 386.437 1.943 0 50 GDAA NC(=O)c1nccnc1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 367965600 UOFDNFNVUQUNDI-CYBMUJFWSA-N 377.408 1.380 0 50 GDAA CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CC[C@@H]2OCC(=O)N[C@H]2C1 373761242 OQVCYGLKTAWIMR-HOTGVXAUSA-N 387.411 1.953 0 50 GDAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1ccc(C(=O)N2CCOCC2)cc1 529013510 YWKCZNMGZOFXAO-UHFFFAOYSA-N 380.404 1.671 0 50 GDAA CNC(=O)Cn1cc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncn3)c2)cn1 534591421 NDUWEBSYOAOPTP-CQSZACIVSA-N 378.436 1.919 0 50 GDAA COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1nncn1C1CCCCC1 824742865 JRKXYDSMAXDFPC-UHFFFAOYSA-N 394.453 1.969 0 50 GDAA CN1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 828634985 BFIFBDWCAPRVAA-CXAGYDPISA-N 398.385 1.913 0 50 GDAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 881101989 ZVGVKSFQSFWBIH-ORAYPTAESA-N 389.456 1.225 0 50 GDAA COc1ccc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1S(=O)(=O)N[C@H]1CCOC1 888101808 HRGHETGZARPXNH-NFAWXSAZSA-N 395.481 1.636 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(CCC(=O)NC3CC3)CC2)cc1 1506400878 LIKCHXSXOGMSBQ-UHFFFAOYSA-N 393.509 1.506 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)CCc3n[nH]c(C)c3C)CC2)nc(C)n1 1529142230 IELQKOIAIGKAQX-UHFFFAOYSA-N 384.484 1.741 0 50 GDAA Cc1cccc(=O)n1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565511837 YRCAQCIGKWNPRV-HOTGVXAUSA-N 377.466 1.494 0 50 GDAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@](O)(CO)CCO3)c(-c2ccccc2)n1 1704302059 AGIYBQNOFTZBLH-NRFANRHFSA-N 397.475 1.961 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)CC2)c1 1772706898 WUTXJUPOPCWECA-UTKZUKDTSA-N 387.480 1.067 0 50 GDAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NC2CCN(c3ncccn3)CC2)o1 1857526957 WOCOGBAMWYSZCK-UHFFFAOYSA-N 386.452 1.897 0 50 GDAA O=C1C[C@H]2N(C(=O)C3(CO)CCOCC3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857716360 IOSQXRQAOUDXKY-FVJLSDCUSA-N 386.448 1.077 0 50 GDAA CN1CC[C@H](C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)C1 1857717678 SLUBJVGLIVWEJS-IBGZPJMESA-N 385.508 1.748 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N[C@@H]4C[C@H]5CO[C@@H](C)CN5C4)CC3)nc2n1 1857727900 FBVHXGSENMEYBH-UAGQMJEPSA-N 399.495 1.725 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCC3(Cn4cccn4)CC3)CC2=O)s1 1857730966 FRTDGCLHXDNQDB-CYBMUJFWSA-N 388.497 1.637 0 50 GDAA O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@]1(CO)CCCO1)c1ccccc1 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IZPFOAPPELCOSJ-YVSFHVDLSA-N 388.512 1.199 0 50 GDAA Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccccc2Cl)cc1 2833488 WTIFDHYICKQHEJ-UHFFFAOYSA-N 396.896 1.948 0 50 GDAA O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 4820995 LRNXNMAXBDKKRR-HNNXBMFYSA-N 377.441 1.938 0 50 GDAA O=C(NS(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CCCN1C(=O)C(F)(F)F 225388060 VEEGOPGYMTXYHH-VIFPVBQESA-N 399.778 1.234 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)Cc3cnccn3)C2=O)c1 67643626 NFCQHXISYVUYEO-HXUWFJFHSA-N 388.443 1.610 0 50 GDAA C[C@H](C(=O)NCCN1CCOCC1)N1c2cccc3cccc(c23)S1(=O)=O 20052216 CZUSLQGMFGVKCD-CQSZACIVSA-N 389.477 1.185 0 50 GDAA Cc1cc(C(=O)N[C@H]2CN[C@H](C(=O)N(C)C3Cc4ccccc4C3)C2)c(C)o1 67689264 ALICARZGYNZLQU-XLIONFOSSA-N 381.476 1.983 0 50 GDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67852403 RXYHNCIURLLDJL-MRXNPFEDSA-N 393.447 1.723 0 50 GDAA O=S(=O)(c1cccnc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 65363886 CNKBQFQCZXULOZ-UHFFFAOYSA-N 397.464 1.521 0 50 GDAA CC(=O)[C@H](C)CC(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 71681536 PFWYYDLVQFLWRA-LLVKDONJSA-N 382.420 1.036 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c2cc(Br)ccc2n1 153407208 JOGSCMYPKAKABT-CYBMUJFWSA-N 376.210 1.841 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 333573204 YMCIFBUNOPYRKK-ONMISFSYSA-N 379.526 1.797 0 50 GDAA CCCCN1CCN([C@@H](C(=O)N2CCCNCC2)c2ccccc2)C(=O)C1=O 77458681 QVTHRYJIVLHGNE-GOSISDBHSA-N 386.496 1.021 0 50 GDAA CCOCCC(=O)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77486061 IXAMOJBUWPXBQK-UHFFFAOYSA-N 382.482 1.019 0 50 GDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 173730322 UGWCWYBJGLSFJD-MJGOQNOKSA-N 398.507 1.789 0 50 GDAA COCCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(SC)nc3)CC[C@H]21 72463218 YMHZOZKQUCUWSC-DZGCQCFKSA-N 378.498 1.688 0 50 GDAA C[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3cnn(C)c3)c2C(N)=O)C1 17076828 MWJXCJTTZPGECJ-LLVKDONJSA-N 375.498 1.776 0 50 GDAA Cc1nc(CCNC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)C)nc2c1CCC2 426438984 RGCNMSITSAPHHL-FQEVSTJZSA-N 382.464 1.964 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)C[C@H]3CCCCN3C)cc2C1 82098180 NZEQUZMJPJJOGB-MRXNPFEDSA-N 376.505 1.261 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CC1=O 95359438 PGVKTXULVBEIJD-AWEZNQCLSA-N 396.894 1.538 0 50 GDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 91504473 KNQIGXZWTSKFCZ-GOSISDBHSA-N 378.425 1.515 0 50 GDAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)c2cnc(O)cn2)CC1 96130623 WUQDUNFMNQDMDB-UHFFFAOYSA-N 385.472 1.316 0 50 GDAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)N1CCC(n2cnnc2)CC1 426684500 NIZHZJQVLKPLHO-SFHVURJKSA-N 385.472 1.093 0 50 GDAA CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95357765 LHRBLXBLUOAKGV-DOTOQJQBSA-N 383.489 1.188 0 50 GDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95522080 CPJJKEGEJAJYKQ-DYESRHJHSA-N 383.448 1.316 0 50 GDAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCN(C(=O)N2CCOCC2)CC1 91643909 HGCWWINMQRACJQ-UHFFFAOYSA-N 387.415 1.426 0 50 GDAA CC(C)(C)CN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1CCO 22852495 XBZZTDAUGNVEBK-INIZCTEOSA-N 382.574 1.894 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)c2n1 97655557 SMHNJGSSGJDDNW-KRWDZBQOSA-N 377.448 1.838 0 50 GDAA COC(=O)c1cn(CCn2c([C@@H](C)O)nc3ccccc32)cc2c(=O)[nH]nc1-2 263588747 XXXYQVNLXDCSFE-LLVKDONJSA-N 381.392 1.566 0 50 GDAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1O 299801985 RBKJZSXFCLJGFX-ZIAGYGMSSA-N 381.420 1.037 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)CSc3nnc(C)o3)CC2)c1 299755275 FIOUMVGFSDURKF-UHFFFAOYSA-N 376.438 1.463 0 50 GDAA C[C@]1(C2CC2)NC(=O)N(CC(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)C1=O 1875254031 LFWAKNWETNTZQM-QGZVFWFLSA-N 388.815 1.002 0 50 GDAA C[C@H]1CC2(CO1)CC(NC(=O)C(=O)NC[C@]1(c3ccccc3)COCCO1)C2 1875329650 BHOVWQGPLQVMJD-MJDMNNAHSA-N 388.464 1.119 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)C1 1875371263 VGSZNLOTDQOXPT-QGZVFWFLSA-N 385.512 1.945 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)C1CCN(Cc2ccncc2)CC1 1875402346 GRBCVXSDOFNHFE-DFQSSKMNSA-N 383.496 1.446 0 50 GDAA Cc1cc(OC[C@@H](O)CNC(=O)CSc2nnc(N)s2)ccc1Cl 952962529 FYIVPNARGUTJAA-VIFPVBQESA-N 388.902 1.730 0 50 GDAA O=C(Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1)NC1CC1 952965211 QTPSXHJBFAACSY-MRXNPFEDSA-N 392.459 1.890 0 50 GDAA C[C@H](O)C[C@@H](C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F 888096738 KBCQUHKLASQHPQ-RQJHMYQMSA-N 383.239 1.125 0 50 GDAA CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccc3c(n2)OCCO3)CC1 1775989203 GRSZMLGJUVZIEJ-WMLDXEAASA-N 391.468 1.323 0 50 GDAA CC(C)Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)on1 1565508471 YCWLWYSLQHDAFH-CABCVRRESA-N 386.518 1.366 0 50 GDAA NC(=O)c1cnc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(Cl)c1 171366382 DNBZUHOWXYHQAE-UHFFFAOYSA-N 379.892 1.405 0 50 GDAA CN1CCC(n2nccc2NC(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 1506419273 YNFMQRVUKXIPOE-IBGZPJMESA-N 384.484 1.557 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cccnc2OC)cc1OC 1529180950 NVRHMDXFACMLOM-QZTJIDSGSA-N 388.420 1.682 0 50 GDAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccc(N4CCOCC4)cc3)C2)CC1 11667751 XLJVSGQDQLYNEQ-LJQANCHMSA-N 386.540 1.812 0 50 GDAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCCC2)nn1 12328584 NAUMGTKBCZSJDS-ZDUSSCGKSA-N 391.859 1.751 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)nn1 12448816 OGBMOZVRTOLOMK-AWEZNQCLSA-N 384.362 1.575 0 50 GDAA Cc1nn(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)c(C)c1C 12518003 UBOUXGKHSWOFFF-UHFFFAOYSA-N 396.426 1.732 0 50 GDAA COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 12572809 VVCFLNAGZNEXJA-LJQANCHMSA-N 381.476 1.745 0 50 GDAA CCN(CC)C[C@@H](O)COc1ccc(CN2CCN(C=O)CC2)cc1OC 12754917 RSJIPUREIWMCOC-GOSISDBHSA-N 379.501 1.051 0 50 GDAA CC(C)NC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)nn1 14882953 WAINKRJSYXSYSC-AWEZNQCLSA-N 395.460 1.581 0 50 GDAA COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)CNC(C)=O)C3)nc1 14993438 ICEWTTIIAQLGAN-HNNXBMFYSA-N 383.404 1.091 0 50 GDAA Cc1noc(C)c1CN1C[C@H]2[C@H](NC(=O)c3ccccc3)CS(=O)(=O)[C@H]2C1 1857696035 JCTNKBANLHAMIL-KSZLIROESA-N 389.477 1.319 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)N2CCSCC2)C[C@@H]1O)c1ccc2c(c1)OCO2 1857699798 YRTHAZZFBHIKRI-KKUMJFAQSA-N 392.477 1.250 0 50 GDAA COc1nc2c(cc1-c1nccn1C[C@@H]1CC(=O)N(C)C1)C(=O)N(C(C)C)C2 1857701382 PVEGROMDGZUULI-CYBMUJFWSA-N 383.452 1.796 0 50 GDAA CNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](OC)[C@H](NC3CCOCC3)C2)o1 1857707516 VMRPSNWFDFHLLL-IAOVAPTHSA-N 393.484 1.208 0 50 GDAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3c[nH]c(=N)nc3-c3ccccc3)C[C@H]2CO1 1857712977 PTAQQHDHDMOJPI-BQFCYCMXSA-N 381.480 1.784 0 50 GDAA Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857717743 WFIBJLWHQHZZLN-WMZOPIPTSA-N 396.488 1.560 0 50 GDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3cccc(OC)c3)C[C@]23CC[C@H]1O3 1857720089 DHNKVYSXHLCFDF-WJFTUGDTSA-N 380.510 1.614 0 50 GDAA NC[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CC1 237936533 FNJLYIKBWXRSET-JTQLQIEISA-N 377.260 1.236 0 50 GDAA O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 136115414 HHAXQHYEHUKTFH-CVEARBPZSA-N 376.428 1.930 0 50 GDAA O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccncc1 2863586 GOAVBTHFWQVVQW-HNNXBMFYSA-N 379.298 1.217 0 50 GDAA O=C1C[C@H]2CCCCN2CCCCN(C(=O)c2ccn3ncnc3c2)CCCN1 2100534413 HGIRQHXYBLRJKD-GOSISDBHSA-N 398.511 1.716 0 50 GDAA O=C(c1ccc2c(c1)OCO2)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 2100556166 GNRLJFYPNZEGSD-GHTZIAJQSA-N 383.400 1.936 0 50 GDAA COCCN1CC[C@H](NC(=O)c2cccnc2Oc2ccccc2C(N)=O)C1 2325748741 BABCHNGBCSNHMD-AWEZNQCLSA-N 384.436 1.423 0 50 GDAA CS(=O)(=O)C[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 2325791412 WIZGANQAFVHNLN-JHJVBQTASA-N 384.885 1.632 0 50 GDAA Cc1ccc(C(=O)Nc2cccc(CNS(=O)(=O)N3CCNCC3)c2)cc1 2325865597 INYLDOJFMNGUQC-UHFFFAOYSA-N 388.493 1.487 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cc(F)c3ncccc3c2)C[C@@H](C(=O)O)S1(=O)=O 2325875675 ZMSGPHUUQYKJIV-OCCSQVGLSA-N 394.424 1.770 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(N3CCCNS3(=O)=O)cc2)CC1 2325888571 GKKOPPHWVOELKF-UHFFFAOYSA-N 392.481 1.094 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1C 814615 DSRAFJQPFKVSAW-MRXNPFEDSA-N 396.509 1.700 0 50 GDAA COc1ccccc1-c1noc(CCCC(=O)N2C[C@H]3COC[C@@]3(CO)C2)n1 2356137682 VEUBVYWTOHYLEQ-XOBRGWDASA-N 387.436 1.535 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N(C)[C@@H]3C[C@@H]4CNC(=O)C[C@@H]4C3)cc12 2356152878 FRFPJURXCYCRJY-MJBXVCDLSA-N 389.477 1.784 0 50 GDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6728749 GIHFAEBMOQRUQI-STQMWFEESA-N 386.495 1.472 0 50 GDAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20452389 YYCSPZSQGTWTIQ-INIZCTEOSA-N 385.464 1.461 0 50 GDAA CCc1csc(CNC(=O)c2ccc(N[C@@H]3C[C@@H](CO)N(C)C3)nc2)n1 67713582 JTYGDHDFMDOGLX-CABCVRRESA-N 375.498 1.507 0 50 GDAA C[C@H](CNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)CN1CCCC1=O 252487394 WJNLOPCCLUGVDH-ZJPYXAASSA-N 380.533 1.434 0 50 GDAA CCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 65365236 WLZUBTLFBNSXJJ-UHFFFAOYSA-N 378.502 1.449 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Br)cn1 409413165 DYRIRWNTSAYWPF-GFCCVEGCSA-N 389.209 1.923 0 50 GDAA biogenic CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1 328653226 WUYFTUYIGODHCF-HNNXBMFYSA-N 378.473 1.874 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1 31797485 LSQQHNYJKXOYSW-GOSISDBHSA-N 380.448 1.285 0 50 GDAA COc1ccc2cc([C@H]3CN(C(=O)CN4CC(=O)NC4=O)CCO3)ccc2c1 71749223 IITGBPQFTCKWHH-QGZVFWFLSA-N 383.404 1.300 0 50 GDAA Cc1cccc(OCCN2CCc3nn(CC(=O)N4CCCC4)c(=O)cc3C2)c1 128719906 GLTODAHBCBGLGQ-UHFFFAOYSA-N 396.491 1.611 0 50 GDAA O=C(CN1CCOC1=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72454680 IBOHNHTXDQAEFO-GOEBONIOSA-N 391.493 1.582 0 50 GDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77488030 JYFRNBRCSLQQRS-NYUBLWNDSA-N 397.406 1.754 0 50 GDAA CCn1nc(CO)c2c1CCN([C@H]1CN(Cc3ccc(C)s3)C[C@@H]1O)C2 72410188 SVKWIVLATTZXCV-OALUTQOASA-N 376.526 1.369 0 50 GDAA CN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72172526 AFWRBVLPBVNZCW-NRFANRHFSA-N 394.519 1.722 0 50 GDAA CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H](C)N1CCOCC1)c1c(F)cccc1F 245886358 CVZUAMLYYXKDRK-PBFPGSCMSA-N 383.439 1.758 0 50 GDAA CCc1c(C)nn(CC(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)c1C 82091932 FFYNLKRSACPPAC-UHFFFAOYSA-N 384.480 1.942 0 50 GDAA COCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CCc1nc2ccccc2s1 82147073 HERBZAYIARBZPP-STQMWFEESA-N 379.457 1.931 0 50 GDAA Cn1ncc2c1ncn1nc(-c3ccc(CN4CCN5CCC[C@@H]5C4)cc3)nc21 20608429 DCOKPRIWTQCWTH-QGZVFWFLSA-N 388.479 1.958 0 50 GDAA CSCC(=O)N1CCC2(CCN(CCCn3cccn3)CC2)[C@@H](CO)C1 97532679 ZPUBRDXOEHJYIE-QGZVFWFLSA-N 380.558 1.559 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)c1cccc(-n3nnnc3C)c1)C2 95386170 MICLUCTVPUESBG-CQSZACIVSA-N 379.420 1.960 0 50 GDAA COC(=O)c1cnc2c(c1)n(Cc1nc(C)nn1C)c(=O)n2C1CCCCC1 95386750 YRIMDKWHQHBKIP-UHFFFAOYSA-N 384.440 1.975 0 50 GDAA COCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)c(F)c2)c1 95377878 IBYZNHNILFMYJV-UHFFFAOYSA-N 384.404 1.820 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCOc3ccccc3C2)c1 95375642 AVGARIGOTNQCQQ-GFCCVEGCSA-N 378.425 1.844 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 92065064 WZTDJFXGOJOYBT-OAQYLSRUSA-N 399.447 1.514 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCc2ccncn2)c1)N1CCSCC1 95368158 SNZUJJQQIOZHNO-UHFFFAOYSA-N 378.479 1.144 0 50 GDAA COCc1nc(N2CCC(N3CCSCC3)CC2)cc([C@H]2C[C@@H](N)C2)n1 252553248 VIPPEOQLFDUIBJ-GASCZTMLSA-N 377.558 1.845 0 50 GDAA COc1ccc2cnn(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2c1OC 252481520 CNJMAYDUQFDMHK-INIZCTEOSA-N 397.431 1.134 0 50 GDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 299752891 VWRZXYCDUBJMIF-ZYHUDNBSSA-N 390.255 1.516 0 50 GDAA Cn1c([C@H]2CCCCN2C(=O)CCc2nnc(O)nc2O)nc2ccccc21 253623781 LLDXIALGXNBVOC-OAHLLOKOSA-N 382.424 1.856 0 50 GDAA COC(=O)c1cn(CCn2c(C)nc3ccc(F)cc3c2=O)cc2c(=O)[nH]nc1-2 263587268 DZSYVYRTMYJZTR-UHFFFAOYSA-N 397.366 1.320 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccccc2-n2cncn2)C1 823413009 JVZZTANDAQLWGS-CQSZACIVSA-N 377.470 1.059 0 50 GDAA Cc1cc(C)c(CNC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cn1 584893586 NJHWSMWHMWJDPE-UHFFFAOYSA-N 395.529 1.256 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2cc3ccccc3o2)ncn1 1875400641 HPZXYJNDMCEKLG-HZPDHXFCSA-N 395.463 1.587 0 50 GDAA CCc1nccn1CCC(=O)NCC1CCN(c2ncc(F)c(OC)n2)CC1 952966168 VTXQAXXOFGONAP-UHFFFAOYSA-N 390.463 1.806 0 50 GDAA CN(C(=O)CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1)C1CCCCC1 1076052366 SPMRXFJTJZKQFT-SJORKVTESA-N 375.473 1.522 0 50 GDAA O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCS(=O)(=O)CCO1 1351028228 UKCPJIIULKCFFV-LBPRGKRZSA-N 390.870 1.332 0 50 GDAA CC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C)c(Br)s2)C1=O 170616391 CTJBMIUJIQONQI-NSHDSACASA-N 396.288 1.733 0 50 GDAA CN1CCN(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704352792 JSHHFPALIRLSRT-NQIIRXRSSA-N 382.508 1.546 0 50 GDAA CCCOc1ccc(CN2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cc1CO 1704324984 ITAPZKQNWJOEKL-PMACEKPBSA-N 379.497 1.835 0 50 GDAA CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 5059354 FITSQOGSNGOEIB-UHFFFAOYSA-N 376.862 1.266 0 50 GDAA CC(C)N(Cc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 12447507 RJORUBLFCLGQHS-KRWDZBQOSA-N 395.529 1.610 0 50 GDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@@H]1CCSC1)CC2 14537912 XTHBAJKNIVLFOG-CQSZACIVSA-N 382.530 1.122 0 50 GDAA O=C(CCCn1cncn1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 15068358 ZOHZKPUGNSUAHH-FQEVSTJZSA-N 382.512 1.872 0 50 GDAA CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1CN1CCN(CCO)CC1 19740705 PHUASNAQBYNLSR-UHFFFAOYSA-N 386.496 1.776 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n(C)n1 1857667093 OLUYNCOOGRDKIS-SFHVURJKSA-N 390.465 1.167 0 50 GDAA CN(CC(=O)O)c1ncc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857681119 YNSWVKLHUZFXFV-JQVVWYNYSA-N 396.491 1.956 0 50 GDAA Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@]2(CCN(c3cnccn3)C2)C1 1857704091 CWXRMFTZCKFQOG-SFHVURJKSA-N 392.456 1.594 0 50 GDAA Cc1cc2cc(C(=O)N[C@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)ccc2o1 1857738610 PRQXSGJXFJTBJQ-BZSNNMDCSA-N 385.464 1.791 0 50 GDAA CC(C)(C)c1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccnc2)n[nH]1 11936200 WJLICJLEWMBEOI-MRXNPFEDSA-N 384.484 1.109 0 50 GDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2cc(F)ccc2F)CC[C@H]1O 1704337105 VHAPXUNSRYQZFN-ZBFHGGJFSA-N 375.393 1.591 0 50 GDAA O=C(c1nn(-c2ccc(F)cc2F)cc1O)N1C[C@H](O)CC2(CCOCC2)C1 922897598 NYGBSMYAOLWSKE-CYBMUJFWSA-N 393.390 1.860 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccc(-n2ccnc2)nc1 2325785889 SDEUBXWUVIVBPZ-APHBMKBZSA-N 386.843 1.687 0 50 GDAA CCN1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3OC)CCC4)[C@@H]2C1 2325804087 UXLMRNGKUBZEBQ-SJORKVTESA-N 380.510 1.668 0 50 GDAA COc1ccc(-n2nc(C(=O)NCC(=O)NC(C)C)c3ccccc3c2=O)cc1 3660353 FHBOPCJWOLFADD-UHFFFAOYSA-N 394.431 1.649 0 50 GDAA COC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@@H]1c1cc(C)ccc1C 4195552 DQVHYFCEWMTATE-CQSZACIVSA-N 388.453 1.400 0 50 GDAA Cc1ccsc1S(=O)(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2 67880090 XEQGIXRHYKTEHW-CYBMUJFWSA-N 383.543 1.859 0 50 GDAA COc1ccccc1OCc1cc(C(=O)N2CCc3nnc(C)n3CC2)n[nH]1 67727336 RSURGNKILANXQX-UHFFFAOYSA-N 382.424 1.596 0 50 GDAA COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(OC)c(O)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65370445 CGMFSQFKDNQTFQ-AXHMDWHKSA-N 390.436 1.234 0 50 GDAA CN1CCN([C@@H]2CCN(C(=O)c3cc4c(s3)CCCCC4)C[C@H]2O)CC1 22919308 XEOWKAWXNOMIRG-IAGOWNOFSA-N 377.554 1.840 0 50 GDAA CCc1nccc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 67726881 OESPGPWCHLFIMU-QGZVFWFLSA-N 389.544 1.478 0 50 GDAA Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Br)c(C)nc2s1 2736084 WJBKOXQBZPZLFO-UHFFFAOYSA-N 382.243 1.955 0 50 GDAA CCc1ccc(CN2CCOC[C@@H]2CC(=O)N(C)Cc2cnn(C)c2C)nc1 72409485 KYEUJNLWJZCGJL-FQEVSTJZSA-N 385.512 1.935 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccccc3CO)c2)CC1 71415560 DSTIJTZCFLCMMW-UHFFFAOYSA-N 390.461 1.480 0 50 GDAA O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(=O)n(-c2ccccc2)n1 477408914 ZGVWXALAYXUQDV-UHFFFAOYSA-N 391.431 1.394 0 50 GDAA CNC(=O)Cn1ccc2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc21 363413645 FPJNSTOPYHDVON-FQEVSTJZSA-N 397.435 1.046 0 50 GDAA CCCn1cnnc1CNS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215503416 UHVXITYHXJUQRT-UHFFFAOYSA-N 377.470 1.403 0 50 GDAA CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 332582189 GUVUBWMEDSUMFW-ROUUACIJSA-N 395.525 1.947 0 50 GDAA COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC34CCNCC4)C2=O)c1 261951706 PXPMYLLIVWZZAI-ZWKOTPCHSA-N 387.480 1.657 0 50 GDAA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H](C)OC(C)(C)C1 283351202 ZDYWNQITEIMFGQ-LLVKDONJSA-N 377.484 1.287 0 50 GDAA O[C@H](COc1ccccc1CNCCSc1ncn[nH]1)CN1CCCCC1 39394209 VRIMMRCKTVBKRN-KRWDZBQOSA-N 391.541 1.912 0 50 GDAA CCN1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 16211309 SKPIDNIZRCILMV-UHFFFAOYSA-N 398.554 1.042 0 50 GDAA Cn1ncc(N2CC[C@H](CNC(=O)Cc3ccc(O)c(Cl)c3)C2)cc1=O 72172821 FAWUFCJMGCGEFG-CYBMUJFWSA-N 376.844 1.325 0 50 GDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc(=O)[nH]c1)C2 72150929 OJLZIQUEFMBXSV-UHFFFAOYSA-N 376.420 1.491 0 50 GDAA CCC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc2C1 77355433 ZHSHQCSUCYUXGY-NSHDSACASA-N 378.458 1.321 0 50 GDAA Cc1cc(N2CC[C@H](NC(=O)COc3ccc(Cl)c(C)c3)C2=O)n(C)n1 174123175 NHPHBKPUNVNRFX-HNNXBMFYSA-N 376.844 1.991 0 50 GDAA CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 284793454 ZKOVASNDQWRPLJ-HZMBPMFUSA-N 396.419 1.601 0 50 GDAA CCCOc1c(Cl)cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1OCC 284793769 ACIISLXOJSHJPE-GOSISDBHSA-N 384.860 1.980 0 50 GDAA CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 77287747 HSVRUJXNIJDRET-KGLIPLIRSA-N 377.293 1.476 0 50 GDAA CC(=O)NCCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71750932 YMHLEALBYLXMQM-SFHVURJKSA-N 377.460 1.937 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 285471548 NUYIWHUBENIASS-CYBMUJFWSA-N 388.511 1.239 0 50 GDAA O=C(O)c1cn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2)nn1 263439059 MAASWGITCBIBFK-CYBMUJFWSA-N 383.408 1.553 0 50 GDAA Cc1cccc2c1OC[C@H](NS(=O)(=O)c1cnn(C3CCOCC3)c1)C2 289544604 NWDKHBLNEGVIKV-OAHLLOKOSA-N 377.466 1.825 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nnc2ccccn12 426477432 RAFFEDPLZIJCGO-QGZVFWFLSA-N 392.463 1.045 0 50 GDAA O=C(NCCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2F)CC1 426658576 VENAXEKAVRTJNZ-KRWDZBQOSA-N 378.492 1.894 0 50 GDAA Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2)c(C(F)(F)F)n1 293148781 QWBLPKWKCVSUPH-SNVBAGLBSA-N 392.407 1.120 0 50 GDAA O=C(c1ccc(-n2cnnc2)nc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 97259173 YEYLJTQDEZNPBJ-SFHVURJKSA-N 375.432 1.753 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1n[nH]c(C)c1C)CC2 95508769 IPGRWEQDWWFCGF-UHFFFAOYSA-N 398.511 1.995 0 50 GDAA CCN1CC2(CCN(S(=O)(=O)N(C)C)CC2)C[C@H](c2ccccc2)C1=O 91745724 AJCPALWGMMBKNF-QGZVFWFLSA-N 379.526 1.911 0 50 GDAA CN(C(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1)c1ccccc1 95390668 HRKYVYYACSPFLF-WBVHZDCISA-N 381.436 1.467 0 50 GDAA O=C(CCc1ccccc1)N[C@H]1CC[C@H](C(=O)NCCc2ncc[nH]2)C[C@@H]1O 1940195009 IEURICRXLIXNGT-BZSNNMDCSA-N 384.480 1.347 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1 1940195928 WNYKFLANAROSHS-UHFFFAOYSA-N 391.431 1.847 0 50 GDAA O=C(NC1CCC1)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc4nn[nH]c4c3)[C@@H]2C1 1940197280 FIHCEDFLQLSJMX-JBBXEZCESA-N 383.452 1.636 0 50 GDAA O=C(NCc1ccc2c(c1)CCC2)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 1875263389 ZYRMOKQSHRRQEB-UHFFFAOYSA-N 378.388 1.774 0 50 GDAA Cc1cc(Br)ccc1NCC(=O)N1CCc2c[nH]c(=N)nc2C1 1875268420 LWRDMACNNQXEBK-UHFFFAOYSA-N 376.258 1.957 0 50 GDAA CC(C)c1nnnn1CC(=O)N1CCC[C@H](CN(C)c2cncc(Cl)n2)C1 1875310269 LCNLOQOHOCVGNG-CYBMUJFWSA-N 392.895 1.615 0 50 GDAA Cc1nccn1CC(=O)N1CCC(CNC(=O)c2ccc(Cl)cn2)CC1 952962598 GBGAWCMSMVSBNE-UHFFFAOYSA-N 375.860 1.909 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccc(C)c(OC)n3)C2)n1 1875400263 VIJPKELOZGTHFY-MRXNPFEDSA-N 384.484 1.534 0 50 GDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952970735 WLIPICAKLZWGKV-IBGZPJMESA-N 386.419 1.627 0 50 GDAA CN1CCC(O)(C(=O)N2CCC[C@H](CNC(=O)C3C(C)(C)C3(C)C)C2)CC1 952982555 YZZGCHLBXQPIAP-OAHLLOKOSA-N 379.545 1.480 0 50 GDAA FC(F)c1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ncn1 892626353 UXTDDDSYJAQNFO-UHFFFAOYSA-N 377.399 1.367 0 50 GDAA CN(C)CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 1565530568 PZPBQUYQRMNGMZ-OALUTQOASA-N 378.494 1.854 0 50 GDAA O=C(NCCS(=O)(=O)N1CCSCC1)c1cccnc1C(F)(F)F 270755848 DHPZCXGNFXZWAG-UHFFFAOYSA-N 383.417 1.209 0 50 GDAA O=C1C[C@H]([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CN1 222042112 KCSKDDYWRCXJDD-XEZPLFJOSA-N 391.418 1.835 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)O2)n1 275277034 JZNXUGJKYQOOGZ-RISCZKNCSA-N 381.410 1.348 0 50 GDAA COC(=O)c1ccccc1CS(=O)(=O)NC1CCN(c2cc(C)n[nH]2)CC1 170606632 ZXURHLDCOTYSCZ-UHFFFAOYSA-N 392.481 1.593 0 50 GDAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(C(=O)c2cscn2)CC1 1772704757 SSTDVQICYHYENR-GOSISDBHSA-N 384.505 1.874 0 50 GDAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)on1 11879389 VLKDDBDZKWJWGC-LJQANCHMSA-N 384.480 1.677 0 50 GDAA CCN(CC)C[C@H](O)COc1ccc(CNCCc2c[nH]cn2)cc1OC 12306747 OHZGEYATZLGMSB-SFHVURJKSA-N 376.501 1.832 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)n2)cc1C 12319820 QJAKIJXXDUOBPW-LJQANCHMSA-N 396.491 1.714 0 50 GDAA CCNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14741560 SUUWXPSCTYMFDA-UHFFFAOYSA-N 391.497 1.529 0 50 GDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccccc3Cl)C[C@@H]12 14742611 DFBRDNZUVKEARJ-IPELMVKDSA-N 399.878 1.846 0 50 GDAA Cc1nn(C)c(C)c1CN(C(=O)c1cn(CCN2CCOCC2)nn1)C(C)C 19336174 LTZPTECSZXGOQF-UHFFFAOYSA-N 389.504 1.011 0 50 GDAA COc1ccc(CN(C)CC(C)C)cc1OC[C@H](O)CN1CCN(C)CC1 19534937 GFDLEUSEOVTFCN-LJQANCHMSA-N 379.545 1.770 0 50 GDAA CCn1cc(-c2nnc3n2C[C@@]2(CCN(Cc4nccn4C)C2)OC3)c(C)n1 1857703339 ZWSFFPFNICYBHK-IBGZPJMESA-N 382.472 1.378 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1O)c1ccccn1 212593795 ZGSQSDKPXSFLPB-ICSRJNTNSA-N 377.448 1.633 0 50 GDAA CCn1cc(CN2CCCN(S(=O)(=O)CCC3CCOCC3)CC2)cn1 330309525 UGOCAQYIOPMDNZ-UHFFFAOYSA-N 384.546 1.557 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCc1cn[nH]c1)C2 252010710 RYKODPJOEGKICU-SJORKVTESA-N 385.468 1.987 0 50 GDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1I 225706828 HAQIGTBNXIJVGQ-WYUUTHIRSA-N 385.157 1.884 0 50 GDAA NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)NC3)C1 2325776882 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CC(C)(C)COC(=O)N[C@H]1CN[C@H](C(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)C1 101731336 RRNWMWZGHCJQLU-OHLVHEOESA-N 393.528 1.689 0 50 GDAA COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cnc(C)[nH]c1=O 55036081 XKAXQKRLKFODJX-LBPRGKRZSA-N 375.425 1.773 0 50 GDAA Cn1ncnc1-c1ccnc(N2CCC(c3nnc4n3CCCCC4)CC2)n1 23338907 NOLFZHYNBYGJES-UHFFFAOYSA-N 379.472 1.974 0 50 GDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1coc(COc2ccc3c(c2)OCO3)n1 67688667 PFUAKZBRMZFSEE-SNVBAGLBSA-N 378.362 1.023 0 50 GDAA Cc1nc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c(Br)n1C 323454243 HIKJEFPTPLUUOP-UHFFFAOYSA-N 397.258 1.873 0 50 GDAA N=C(O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 328616586 BUHSQOHMPUEZAP-NSHDSACASA-N 398.872 1.991 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NCCc3ccnn3C)c2)CC1 215237418 XYQKEBQULBSEJU-UHFFFAOYSA-N 388.493 1.733 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCN(C)CC3)[C@@H]4C2=O)cc1C 77536932 LBRVNOQIRBHHBZ-VAWZGJIGSA-N 395.503 1.359 0 50 GDAA O=C(c1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522460 DNSYQPSDPLFBLL-UHFFFAOYSA-N 387.871 1.929 0 50 GDAA NC(=O)CCN1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 71751796 GHKYXUGJAGAEJY-IBGZPJMESA-N 386.540 1.397 0 50 GDAA CCOc1ccc(S(=O)(=O)NC(=O)c2cocn2)cc1Br 155120853 DHUPLJZHHQQGMJ-UHFFFAOYSA-N 375.200 1.955 0 50 GDAA Cc1nonc1[C@@H]1CCCN1C(=O)Cn1nc(C)n(Cc2ccccc2)c1=O 77390696 WNJUZSPIJCMKJC-INIZCTEOSA-N 382.424 1.457 0 50 GDAA COc1cc2nc(N3CCC(Oc4cnccn4)CC3)nc(N)c2cc1OC 369694048 PJVNZBRKJGJSTG-UHFFFAOYSA-N 382.424 2.067 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c(Br)c1 262453420 KIXVFMUYOXRSFY-SECBINFHSA-N 378.244 1.943 0 50 GDAA Cn1cnc2cc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCOCC3)cnc21 376426085 IZZYECFJFWENFO-OAHLLOKOSA-N 387.440 1.432 0 50 GDAA CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCCC12CCC2 376408715 GEFKEBXSINDLOW-UHFFFAOYSA-N 386.539 1.729 0 50 GDAA Nc1nc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c2cn[nH]c2n1 77378664 BOAXOQGFAANGHZ-UHFFFAOYSA-N 377.452 1.954 0 50 GDAA CNc1nc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncc1F 71763452 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O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1scc2c1OCCO2 244874805 XHPIPIJEJFBUAX-MGCOHNPYSA-N 376.438 1.614 0 50 GDAA CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(C(=O)O)cc2)[C@@H]1c1cnn(C)c1 299749947 MFDKWGNNJXEHMS-AEFFLSMTSA-N 384.436 1.387 0 50 GDAA CN(C)c1cncc(-c2ccc(C(=O)N(CCO)Cc3nccn3C)cc2)n1 534576742 HBJJYVZNXPJALI-UHFFFAOYSA-N 380.452 1.578 0 50 GDAA CCN1C[C@@H](NC(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)CC1=O 534645382 GXJNJXFSEDRTKU-IBGZPJMESA-N 398.507 1.614 0 50 GDAA CN1C(=O)COc2cc(NC(=O)NCCCN3CCCC[C@H]3CO)ccc21 534591623 KXNHAFSKVFRPOR-HNNXBMFYSA-N 376.457 1.400 0 50 GDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCC[C@H](O)C1 299786073 VVZHZZKFDQDJAE-HNNXBMFYSA-N 387.436 1.777 0 50 GDAA O=C(CCn1c(O)nc2ccccc21)NC[C@@H](c1ccccn1)N1CCOCC1 827823116 ZDMMDVAZJIFAPP-IBGZPJMESA-N 395.463 1.717 0 50 GDAA Cc1ccc2nc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cn2c1 861662746 FYGSBKYYWVTPJD-LLVKDONJSA-N 378.376 1.195 0 50 GDAA Cc1cc(C(=O)N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)c(C)o1 185266780 VTURMGLVOADXGX-UHFFFAOYSA-N 382.367 1.830 0 50 GDAA CC1(C)CN(C(=O)CN2CCOCC2=O)[C@H]1c1nccn1-c1cccc(F)c1 952892157 KTUQLZCJZZYNSS-SFHVURJKSA-N 386.427 1.780 0 50 GDAA CSC[C@H]1C[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](C)O)C1 1875313264 NWYKZXPXJJYIOC-UHXUCMFUSA-N 390.502 1.111 0 50 GDAA CS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 1875390596 IOFWRHLHUNBNOL-HNNXBMFYSA-N 396.490 1.316 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)CCn1nc(C)c(C(C)=O)c1C 952964256 MJULWPPSJLSXFT-UHFFFAOYSA-N 383.412 1.716 0 50 GDAA Cc1nn(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)c(C)c1C 1565507320 SXCXSDMIQBZIKE-MJGOQNOKSA-N 381.480 1.967 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1 275313273 OABPNUDODXCPFT-ZDUSSCGKSA-N 382.442 1.749 0 50 GDAA O=C1CN(c2ccnc(C(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)c2)CCN1 188836212 UPYGNTSKRCNVHQ-INIZCTEOSA-N 392.818 1.274 0 50 GDAA O=C(CCc1ccncn1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 192348300 HPPZQYHGKJAHFE-MRXNPFEDSA-N 392.456 1.518 0 50 GDAA O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(F)(F)c1ccc(F)cc1 775998371 FPOHPAKICFVFOY-UKRRQHHQSA-N 377.384 1.770 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4ccns4)C[C@@]3(CO)C2)c(C)o1 1772709990 LDNFHNJQAHUDNW-FZKQIMNGSA-N 375.450 1.560 0 50 GDAA CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 5073481 VVGPLPYNNXMQHZ-GOSISDBHSA-N 378.432 1.738 0 50 GDAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)Cn1nnnc1CN1CCCC1 11819789 BABFMGJSIFHMCX-UHFFFAOYSA-N 380.456 1.318 0 50 GDAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@H]3CCCCN3C)CC2)CC1 11839087 XOWOIGDZFKPCKD-LJQANCHMSA-N 378.561 1.698 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2nncc2-c2ccccc2)cc1 12274005 SKLPFYPNZIWNDW-MRXNPFEDSA-N 382.445 1.851 0 50 GDAA CC(C)(C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 12381463 JAQVETJNLAERJK-UHFFFAOYSA-N 390.889 1.654 0 50 GDAA O=C(c1cn(CCN2CCCCC2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1 12449179 FOFJYKNSONNJPF-IBGZPJMESA-N 398.511 1.980 0 50 GDAA COC(=O)C1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 12702718 BQBDAIIJTCGWGN-FQEVSTJZSA-N 378.444 1.564 0 50 GDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713544 GRDAVKWECRGKQA-INIZCTEOSA-N 381.498 1.264 0 50 GDAA COc1ccc(CCN2C[C@@H](C(=O)NCCc3cnccn3)CCC2=O)cc1 15073842 FBNRDZGLFNDJNG-KRWDZBQOSA-N 382.464 1.625 0 50 GDAA Cc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)no1 1857718708 POPFFPXBWCCMMJ-LBPRGKRZSA-N 376.442 1.297 0 50 GDAA CN(C)CCCN1C[C@@H]2[C@H](CNC(=O)c3cccc(F)c3)[C@H]3CC[C@]2(C1)O3 1857724674 MTFTXBQJSFSHLA-QEUVDIPISA-N 375.488 1.987 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857727881 DNAOLNLZPZXSID-ZOBUZTSGSA-N 376.482 1.321 0 50 GDAA O=C(NCCn1nc(O)c2ccccc2c1=O)[C@H]1CC[C@H](c2ccccc2)N1 1857730885 BEUVYQZGKBOGCH-QZTJIDSGSA-N 378.432 1.712 0 50 GDAA COC(=O)[C@H](c1ccsc1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 225718623 XDXCDEHFTSOWBB-SFHVURJKSA-N 379.526 1.838 0 50 GDAA CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)cc1 485689359 DEWWCFYEFUYNJG-UHFFFAOYSA-N 396.852 1.975 0 50 GDAA CCN(CCN=c1ccc2nnnn2[nH]1)C(=O)[C@H]1CCc2c(Cl)cccc21 2325793913 LGKAKDLBWCQNLU-AWEZNQCLSA-N 385.859 1.585 0 50 GDAA CC(C)NC(=O)Cn1cc(NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)cn1 2325854236 TYDJZFWMJJFAJC-MRXNPFEDSA-N 382.428 1.437 0 50 GDAA CCN(CC(C)C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCc1ccoc1 2332237817 MTUZVEMAURAROQ-HZPDHXFCSA-N 384.498 1.246 0 50 GDAA CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(C(N)=O)cc2)cc1 2910533 PKADOGFQWKVGLP-UHFFFAOYSA-N 398.448 1.891 0 50 GDAA CCOC(=O)C1=C(C)N(CCN2C(=O)CCC(C(=O)OCC)=C2C)C(=O)CC1 1389478 ITDWYUAVKFLAQF-UHFFFAOYSA-N 392.452 1.905 0 50 GDAA CC[C@@]1(C(=O)OC)N[C@H](c2cnn(-c3ccccc3)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65410239 ZDHFIIKVACGUKQ-AXHMDWHKSA-N 382.420 1.069 0 50 GDAA CC(C)NC(=O)CNC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67723716 GFZUYTRRUGOYCV-OAQYLSRUSA-N 375.513 1.778 0 50 GDAA O=C1NCCc2ccc(S(=O)(=O)N(CCO)[C@@H]3CCc4ccccc43)cc21 119547515 PGTCDPWDMVPNNZ-LJQANCHMSA-N 386.473 1.643 0 50 GDAA COC(=O)c1cccc([C@H]2CC(=O)NCc3nc(N4CCOCC4)sc32)c1 65407714 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O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCCc1nc2ccccc2[nH]1 263587590 ITRFPKXITBVRRP-INIZCTEOSA-N 395.419 1.715 0 50 GDAA COc1ccc(-c2nn3ccn(Cc4nc(C5CC5)no4)c(=O)c3c2CO)cc1 263619345 YFTXXXNZQVAAHT-UHFFFAOYSA-N 393.403 1.973 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)c3cscn3)C[C@@H]1N(Cc1cncn1C)CC2 534645902 POXAPVABWYPTGF-RPVQJOFSSA-N 375.498 1.819 0 50 GDAA CC[C@@H](C)NC(=O)N1CCOC2(CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 822635484 WTTFQFTWXYXMCN-CQSZACIVSA-N 377.489 1.544 0 50 GDAA O=C(Cc1cccs1)N1CCC2(CC1)CN(C(=O)[C@H]1CCCO1)CCO2 827921107 JMIFZXHREPOJOK-MRXNPFEDSA-N 378.494 1.690 0 50 GDAA C[C@@H](NC[C@]1(CO)COC[C@@H](C)N1Cc1ccccc1)c1cc(CO)on1 1875392589 JPEAFCWRSKHTHE-QINHECLXSA-N 375.469 1.470 0 50 GDAA CCN(CCc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(C)=O)C2 1875393373 LVEXTEMTCACDLF-KRWDZBQOSA-N 378.494 1.113 0 50 GDAA CN(Cc1ccn(-c2ccccc2)n1)c1cc(N2C[C@H](O)C[C@@H]2CN)ncn1 1875397085 KSVMDGZVMANWCK-QZTJIDSGSA-N 379.468 1.197 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)C1 1875371508 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1.789 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CCO1 272816770 UCHOWTNQKJSXQI-ZQIUZPCESA-N 376.457 1.279 0 50 GDAA CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 186127038 MPOLIAWVZAMYJE-KRWDZBQOSA-N 379.526 1.470 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cn1 275296476 MJXSOFYBVABYQK-QGZVFWFLSA-N 379.438 1.436 0 50 GDAA O=C(CS(=O)(=O)c1ccc(Cl)cc1)NN1C(=O)NC2(CCCCC2)C1=O 170044160 GANGLFGNDWRKLH-UHFFFAOYSA-N 399.856 1.400 0 50 GDAA Cc1cc(S(=O)(=O)CCO)ccc1NS(=O)(=O)C[C@H]1CCCCO1 170615762 BCMQERCWCNLCSK-CYBMUJFWSA-N 377.484 1.072 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl 1506402953 MWVMSICSRVNHFO-LLVKDONJSA-N 396.918 1.299 0 50 GDAA CCc1oc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1CN1CCCC1 1704347138 GBKRJVDCLARDAH-CRAIPNDOSA-N 384.480 1.903 0 50 GDAA CN(C)C[C@]12CN(C(=O)C3CC=CC3)C[C@H]1CN(C(=O)C1CCOCC1)C2 1772711811 KNZOOWFXFJQKQX-GHTZIAJQSA-N 375.513 1.228 0 50 GDAA CCc1ccc(CN2C[C@H]3CN(c4nc(=N)nc5[nH][nH]cc4-5)C[C@]3(CO)C2)s1 1772811579 WCRFGPCONVBULF-BUXKBTBVSA-N 399.524 1.272 0 50 GDAA O=C1CCc2cc(S(=O)(=O)N3CCCN(C(=O)C4CCC4)CC3)ccc2N1 1772808677 YCXUQSCJRFYKTC-UHFFFAOYSA-N 391.493 1.594 0 50 GDAA COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16675614 JUZAFPYYCWVLMY-UHFFFAOYSA-N 380.422 1.393 0 50 GDAA O=S(=O)(c1cccc(OC(F)(F)F)c1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669569 XSLPVQXMCONDPF-SMDDNHRTSA-N 381.372 1.605 0 50 GDAA NC(=O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(Cc2cnn(-c3ccccc3)c2)CCO1 1857674250 ZWARQMXZHHWUKH-XVAYZXCPSA-N 395.507 1.555 0 50 GDAA O=C([C@H]1C[C@H](O)C1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857693233 NRQTWFKROUYAIB-VTJXTGGHSA-N 380.448 1.822 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cn3cccnc3n2)cc1OC 1857713931 XTBVJEVAJGZEAJ-ROUUACIJSA-N 398.419 1.321 0 50 GDAA CC(=O)NCCCC(=O)NCc1cnc2c(c1)CN(C(=O)c1ccncc1)CC2 1875244281 QABANNCSOZSYEN-UHFFFAOYSA-N 395.463 1.208 0 50 GDAA COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1875245729 NSRJTBAJUMTPSC-GDBMZVCRSA-N 376.434 1.404 0 50 GDAA CCOc1cc(CN2CC[S@@](=O)C[C@H](C)C2)nc2nc(C(F)(F)F)nn12 369356521 BJJLFLOAGRSQQI-AFNXNYLOSA-N 391.419 1.742 0 50 GDAA CS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 264259159 CLZRVYQGSCJMNT-UHFFFAOYSA-N 392.481 1.012 0 50 GDAA CC(C)=C(C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C1 2325878377 NFJIFRSOSOPMRQ-CVEARBPZSA-N 377.489 1.372 0 50 GDAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)C1=O 2356154764 ITMZFWSNOWFIQW-HXUWFJFHSA-N 382.468 1.883 0 50 GDAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(N3CCOCC3)nc2)C1=O 2356160413 QSDDNERRSJEDKA-OAQYLSRUSA-N 386.496 1.924 0 50 GDAA CCOc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCC(N)=O 4375524 XYPFORSLNGEMME-LBPRGKRZSA-N 387.274 1.981 0 50 GDAA COc1cccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1 100509925 AHLJCCOOKDPERO-IBGZPJMESA-N 393.443 1.785 0 50 GDAA C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C[C@H]1N 419785578 XBEYALVKYULNTF-QBIMZIAESA-N 386.883 1.941 0 50 GDAA CCc1nnc(NC(=O)[C@@H](C)n2nc(C3CCNCC3)n(CC)c2=O)s1 65462143 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O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(=O)nc2sccn12 215791742 MULBGZLDWJYDRH-UHFFFAOYSA-N 376.482 1.521 0 50 GDAA CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 245410628 RYWDTNBJYVWJSG-SFTDATJTSA-N 386.540 1.710 0 50 GDAA CCOc1cc(CN2CCn3nc([C@H](O)CO)cc3C2)c(Cl)cc1OC 219919042 CVFRDJKBIBTTEK-MRXNPFEDSA-N 381.860 1.985 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3nc(C)ncc3C)CC2)C1 71615212 DOKZCAKCJGFSPF-QGZVFWFLSA-N 375.517 1.537 0 50 GDAA CC(C)n1nc(C(=O)N2CCN(c3cnn(C)c3)CC2)c2ccccc2c1=O 173658382 GHJCXJQOABBYMN-UHFFFAOYSA-N 380.452 1.673 0 50 GDAA O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CCCC[C@H]1n1cccn1 174197319 QHYYTJXNJSZVBS-YQVWRLOYSA-N 393.557 1.874 0 50 GDAA COc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccccc3)[C@@H]2C1=O 18162303 ZPDHTCZBSHZCJG-IRXDYDNUSA-N 379.376 1.627 0 50 GDAA O=C(NCCCOc1cccnc1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 426533804 OXJHJJNKTADEGO-KRWDZBQOSA-N 376.457 1.273 0 50 GDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 225759751 OYNBLHHNRRTGQJ-LVQVYYBASA-N 394.449 1.288 0 50 GDAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)NCc1ccc(Cl)cc1)C2 220422602 ZHPYDHCWDODOQJ-KRWDZBQOSA-N 377.876 1.857 0 50 GDAA CNC(=O)c1cccc([C@H](C(=O)O)N2CCN(Cc3ccccc3OC)CC2)c1 95371708 SNSRFBKHRSCGDA-HXUWFJFHSA-N 397.475 1.998 0 50 GDAA CC1(C)SC[C@@H](C(=O)NCC(C)(C)N2CCc3ccccc3C2)NC1=O 97681944 GXLQVWQNVIULSX-INIZCTEOSA-N 375.538 1.950 0 50 GDAA Cc1ccc(N2C[C@H](C(=O)N3CCC(OCCCN)CC3)CC2=O)c(F)c1 162236569 HRQASXPMXNCHIL-OAHLLOKOSA-N 377.460 1.843 0 50 GDAA CC(=O)N[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H]1c1ccc(C)o1 91476830 LDLHUHKFSQETAY-HZPDHXFCSA-N 380.404 1.340 0 50 GDAA COc1ccc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cc1OC 91757256 CODIFGMVPRXPJG-UHFFFAOYSA-N 376.453 1.993 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCN(Cc4c[nH]cn4)CC3)[C@@H](CO)C2)o1 97660656 VYXADIHTRVSVIQ-OAHLLOKOSA-N 388.468 1.748 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(Oc3cccnc3)CC2)CN1Cc1cccnc1 95367835 JMBXYJFUUDPKEK-QGZVFWFLSA-N 380.448 1.895 0 50 GDAA Cc1c(C(=O)N(CC(=O)O)C2CCOCC2)nnn1-c1ccccc1Cl 299748016 FVRYXGKFCIIFLL-UHFFFAOYSA-N 378.816 1.935 0 50 GDAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)NCc3ccc(F)cc3F)C[C@@H]2O)no1 1940194651 BPORZQKJXUZXJB-PJODQICGSA-N 379.363 1.447 0 50 GDAA CCN(C(=O)Nc1cccc(N2CCN(C)C2=O)c1)[C@H]1CCS(=O)(=O)C1 299759197 BIWMPURPRDMFLL-HNNXBMFYSA-N 380.470 1.599 0 50 GDAA CC(C)Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(O)n1 821446020 DWGSVBXUFGHKOL-UHFFFAOYSA-N 378.454 1.001 0 50 GDAA Cc1ccc(CN2CCOC3(CCN(C(=O)c4ccc(=O)n(C)n4)CC3)C2)o1 825197859 CKRAHYCMHCVRBG-UHFFFAOYSA-N 386.452 1.189 0 50 GDAA Cn1nc2cccc(S(=O)(=O)NCc3nncn3C3CCCCC3)c2n1 825651694 ARJZQHPYNZKHJJ-UHFFFAOYSA-N 375.458 1.544 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccn3)no2)cs1 670435287 UNITZTBVGAFDHF-SECBINFHSA-N 393.450 1.592 0 50 GDAA COc1cccc(CN2CCC(N3C(=O)N[C@@H]4CN(C(C)=O)CC[C@H]43)CC2)n1 952852569 BKXASKIVFONZQT-QZTJIDSGSA-N 387.484 1.069 0 50 GDAA CCN(CC)C(=O)c1ccc(NS(=O)(=O)N2CC(OC)C2)cc1Cl 952845966 UWIDJLBNPKGOLP-UHFFFAOYSA-N 375.878 1.809 0 50 GDAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(CN2CCOCC2)cc1 1875257483 WIYTYEZIROHLOZ-HXUWFJFHSA-N 379.460 1.744 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H](C4CC4)C3)CC2=O)cc1OC 1875296636 GSFKCTWBNQYBGP-JKSUJKDBSA-N 388.464 1.942 0 50 GDAA Brc1cnn2cc[nH]c(=NC[C@]3(N4CCOCC4)CCCOC3)c12 1875275458 WMGGSOYJYNSPAD-MRXNPFEDSA-N 396.289 1.207 0 50 GDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC[C@]3(c4ccccc4)CCOC3)c2C1 1875297549 WIGDKXAIHFPXBP-VGOFRKELSA-N 396.491 1.670 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H]3CCCc4nn(C)cc43)C2)n1 1875397722 LJIDLNOOAKNYIT-ZBFHGGJFSA-N 383.500 1.432 0 50 GDAA CN1C[C@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)c1ccc(F)cc1F)C2 1875396215 ZAEGKFUSPPKCKD-OAHLLOKOSA-N 387.434 1.992 0 50 GDAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 952980344 PELIHQPUTFZJEH-INIZCTEOSA-N 394.479 1.753 0 50 GDAA COCC(=O)Nc1cc(NC(=O)Cn2nc(C)c(C(C)=O)c2C)ccc1OC 952872897 RGSVTZMJFZPDMK-UHFFFAOYSA-N 388.424 1.935 0 50 GDAA CCc1nnc(CN2CCC3(CC2)CN(C(=O)c2scnc2C)CCO3)o1 952966538 VJVSLZRUCXWXNS-UHFFFAOYSA-N 391.497 1.904 0 50 GDAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 952967053 IHSGCZWHWZBLCN-UHFFFAOYSA-N 380.426 1.849 0 50 GDAA O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC([C@@H]2COC(=O)N2)CC1 884925054 YKDSWAOAKOAOHS-IBGZPJMESA-N 395.459 1.846 0 50 GDAA CCCn1nccc1C(=O)N1CCN(C(=O)COC)C2(CCOCC2)CC1 1775962883 SDVZKOPWZXDNRR-UHFFFAOYSA-N 378.473 1.163 0 50 GDAA CCN1CCN([C@@H]2CCN(C(=O)Cc3cccc(N4CCCC4=O)c3)C2)CC1 278843871 RVRBPOCXXJGDDC-HXUWFJFHSA-N 384.524 1.594 0 50 GDAA Cc1cc(F)ccc1N1CCC(N[C@H]2COC[C@@H]2N2CCN(C)CC2)CC1 1506420550 IQEUFHRLKHDSOK-FPOVZHCZSA-N 376.520 1.707 0 50 GDAA O=C1CO[C@H](C(=O)NCc2nc(O)c3ccccc3n2)[C@@H](c2ccccc2)N1 1529119170 UGNXCBQOOSSRIT-MSOLQXFVSA-N 378.388 1.208 0 50 GDAA Cc1cnc(C(=O)N2C[C@H]3CN(C(=O)c4ccsc4)C[C@]3(CN(C)C)C2)cn1 1772710414 QZIXCCMTCQVONM-OXQOHEQNSA-N 399.520 1.623 0 50 GDAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)nn1 12330196 PQZWBXLYUUNONL-LJQANCHMSA-N 397.479 1.831 0 50 GDAA O=C(CCC1CCN(C(=O)Cn2nc3ccccc3n2)CC1)NC[C@@H]1CCCO1 12595257 WRLLVFMIOXHSEG-KRWDZBQOSA-N 399.495 1.745 0 50 GDAA O=C(Cn1ccc(O)nc1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857711908 HZVWPKVYXGCQCO-PXNSSMCTSA-N 398.463 1.013 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(c3nc(C)ncc3S(C)(=O)=O)C[C@H]21 1857728038 KQCYAFSPTPOORX-YYWXWVFPSA-N 379.482 1.626 0 50 GDAA O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1 408521142 JRJLDNXLKQOJTI-GAIWEEKLSA-N 399.472 1.724 0 50 GDAA O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 225543841 IDSJUMNSHHNQLI-JQWIXIFHSA-N 378.372 1.515 0 50 GDAA O=C(c1cc(F)ccc1F)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247427428 SYTRHGFLAVZWFW-BUXKBTBVSA-N 378.375 1.750 0 50 GDAA Cc1nn(C)c(C)c1CN(C(=O)C[C@@H]1C(=O)NCCN1CC(C)C)C(C)C 15078593 HZTLCXAJKXOKBK-GOSISDBHSA-N 377.533 1.620 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCCN3CCCC3=O)C1)CC2 1704301309 UGVGWRAPAYZNKX-NRFANRHFSA-N 385.512 1.752 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1)C(=O)CO2 2100547075 BAVWHWFJQHCSPU-UGKGYDQZSA-N 396.443 1.681 0 50 GDAA O=C(NCCS(=O)(=O)c1ccccc1F)NC[C@H]1COc2ccccc2O1 2325728433 CRSVZFOVMSVRMX-ZDUSSCGKSA-N 394.424 1.739 0 50 GDAA O=C(NC[C@@H](O)c1cccc2ccccc12)Nc1cnc(N2CCNCC2)nc1 850754015 PXNDGXOOQXGFKY-LJQANCHMSA-N 392.463 1.895 0 50 GDAA Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1CNCCNC1=O 2325808734 GOJKRIMXQKRTLD-ZDUSSCGKSA-N 394.884 1.502 0 50 GDAA Cc1sc(=O)n(CC(=O)NC[C@@H]2C[C@H](C(=O)N3CC[C@@H]3C(C)C)CO2)c1C 2332237794 LRNWQHFPVJTFKX-HRCADAONSA-N 395.525 1.305 0 50 GDAA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1064195 UVAUHDPCCUGMPY-UHFFFAOYSA-N 390.355 1.112 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(S(=O)(=O)N2CCN(C)CC2)CC1 2356145604 FDVSAMOLBGIPSB-UHFFFAOYSA-N 395.525 1.051 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@@H]1NC(=O)CCCc1cn[nH]c1 2356164620 ABAQSXRJBMRAHZ-JYJNAYRXSA-N 388.472 1.072 0 50 GDAA CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2c(Cl)cccc2Cl)n1 225427312 BZVHMKSKRXZPBE-UHFFFAOYSA-N 378.241 1.474 0 50 GDAA O=C(NC1CC1)c1noc([C@@H]2CCCN2c2ncnc3c2ncn3C2CC2)n1 431417172 HPNOOKRQOCMHNM-LBPRGKRZSA-N 380.412 1.778 0 50 GDAA CN1CCC(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1 65362819 DMHVYTPMHFPXJO-UHFFFAOYSA-N 381.542 1.961 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n(-c2ccccc2)c1=O 67934741 DIZKEWRIOCRZOD-HNNXBMFYSA-N 378.436 1.568 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccco3)CC2)cc1 7638981 FPNSHRBPLATVFU-UHFFFAOYSA-N 395.506 1.669 0 50 GDAA COCCN(C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C(C)C 71749229 DZFOSSLPQSAWKG-MRXNPFEDSA-N 377.485 1.859 0 50 GDAA O=C1NCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)[C@@H]1c1ccccc1 363954139 OFWFGGNKTYDGLW-GOSISDBHSA-N 376.420 1.650 0 50 GDAA Cc1cscc1C(=O)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328607785 XDGVZVFFVCTNFH-HNNXBMFYSA-N 388.493 1.927 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccoc3C)CC2)C1 71764403 DNNRORYJMLSOGK-MRXNPFEDSA-N 377.485 1.667 0 50 GDAA CC1(C)C(=O)NCCN1C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15078196 RGFJQIKNPQRFMI-LJQANCHMSA-N 381.423 1.029 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 77301958 IQZBSBLUYZWMOZ-WEMPKCCASA-N 393.443 1.924 0 50 GDAA C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1-n1cccn1 121427113 XDQJPGQEJOOSHG-LBPRGKRZSA-N 375.388 1.893 0 50 GDAA Cc1c(S(=O)(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c2ccccc2n1C 284358012 QOPPFZFEYWSYHC-UHFFFAOYSA-N 387.465 1.258 0 50 GDAA CS(=O)(=O)N1CCC(C(=O)NCc2cccc(N3CCCC3=O)c2)CC1 32312033 AILQKNDWEOGICS-UHFFFAOYSA-N 379.482 1.101 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)nnn1C1CCNCC1 237775036 YXCCQXJWCUUMJY-RLFYNMQTSA-N 390.532 1.225 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2c1=O 225423214 OBLITNIFCQQLHI-KGLIPLIRSA-N 376.416 1.355 0 50 GDAA biogenic O=C(NCCCN1CCOCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 20414518 LCNDHMCPIABNQU-UHFFFAOYSA-N 384.480 1.575 0 50 GDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)N2CCCCC2)cc1 96180856 MOZPZEDYSYATMU-AWEZNQCLSA-N 379.482 1.869 0 50 GDAA Cc1nc(CCC(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)n[nH]1 92002492 ZQKLPTGDYSUVLC-IBGZPJMESA-N 375.473 1.066 0 50 GDAA Cc1nc2ccccn2c1CC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1 95528376 KXFCGFHHCHDUIV-LSDHHAIUSA-N 378.498 1.217 0 50 GDAA NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95383831 HERDHDLOEIHEFW-HNNXBMFYSA-N 379.482 1.388 0 50 GDAA CCn1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NCC(C)C)n1 239377572 OCGUGOBSTRYBOF-AAVRWANBSA-N 378.429 1.106 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2cnc3ccccc3n2)C1 244641227 GLQIYPTZFPQVCK-HDJSIYSDSA-N 388.435 1.679 0 50 GDAA Cc1nnc(CCNC(=O)c2cccc(-c3cnn(CCC(N)=O)c3)c2)s1 534590970 YYMVZLWIWJKWCQ-UHFFFAOYSA-N 384.465 1.558 0 50 GDAA CCc1nn(C)c(NC(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1-c1ccc(F)cc1 299769229 MROIVRDHIYEMAT-CABCVRRESA-N 375.448 1.975 0 50 GDAA O=S(=O)(Nc1nc[nH]n1)c1cc(Br)c(C2OCCO2)s1 1875339723 VIBVRDNPZQSNJS-UHFFFAOYSA-N 381.233 1.475 0 50 GDAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccc(C)nn1 1875313362 PNBSWJCHCDOFFN-LLVKDONJSA-N 399.856 1.971 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)c1 952870142 SMAIKCOSSQNIIR-OAHLLOKOSA-N 377.408 1.353 0 50 GDAA Cc1cccc2c(=O)c(C(=O)N3CC[C@H](Nc4ncccn4)[C@@H](O)C3)c[nH]c12 1565528807 WUYKPFNUPNPOBF-HOTGVXAUSA-N 379.420 1.314 0 50 GDAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1nnc(C3CC3)o1)C2=O 170607724 CFWQWCGURCEDNN-WYRIXSBYSA-N 389.456 1.700 0 50 GDAA Cc1ccc(C(=O)NCCC(=O)NCc2ccnc(-n3ccnc3)c2)c(O)c1 170694790 DVZJQDUWFHTPEH-UHFFFAOYSA-N 379.420 1.718 0 50 GDAA COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1 170633443 JHRAVXMBJCAYOY-GFCCVEGCSA-N 379.365 1.989 0 50 GDAA O=C1CO[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)[C@@H](c2ccccc2)N1 1529167940 RVXOXOZLNCVCOW-UXHICEINSA-N 385.464 1.246 0 50 GDAA CC1=CC2(CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)OCC1 1704327726 HOEDTQOUUDZGRH-UHFFFAOYSA-N 378.450 1.907 0 50 GDAA C[C@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)c1ncnn1C 1704326033 UCAAVMMWTYPVGI-ZDUSSCGKSA-N 382.424 1.798 0 50 GDAA COC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)Cc2ccc(OC)cc2)C1 12314217 UGKNCHQFSQMAPZ-QGZVFWFLSA-N 390.480 1.936 0 50 GDAA CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)cn1 12457943 ZNIKFFFHFKFSTA-GOSISDBHSA-N 399.495 1.227 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 16733360 ITXWZHPKCCCOSH-GFCCVEGCSA-N 396.490 1.489 0 50 GDAA CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@H](C(=O)OC)c1ccccc1 18207413 GSDBDVQHYYYBRL-FZMZJTMJSA-N 376.438 1.253 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](Cn2ccnc2-c2coc(-c3ccccc3)n2)C1 1857684312 IFPGWVWYJGWEMU-HNNXBMFYSA-N 388.449 1.866 0 50 GDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCc1cnc[nH]1 1857687346 SVPSUFTVRFMAJJ-GOSISDBHSA-N 393.495 1.555 0 50 GDAA O=S(=O)(C[C@H]1COCCO1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857709825 SXPFSOJZUBUBNP-OAHLLOKOSA-N 377.466 1.223 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCc3cccc4[nH]ccc34)CC2=O)s1 1857720522 YCKASMKOHAOJMT-GFCCVEGCSA-N 385.449 1.835 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cccc4ccnn34)C[C@H]2CO1 1857728201 RLNLUMPKJWIKPT-SQNIBIBYSA-N 394.479 1.690 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(c4ccncc4)CC3)CC2=O)s1 1857740239 JWYXPVYDZFKFGN-ZDUSSCGKSA-N 386.481 1.197 0 50 GDAA O=C(NCc1cnc2c(c1)CN(C(=O)C1CCOCC1)CC2)c1cnccn1 1875246143 IXHAXUFDDCMWSE-UHFFFAOYSA-N 381.436 1.113 0 50 GDAA C[C@@H](C(=O)Nc1nnc(CC(=O)N(C)C)s1)c1nnc(O)c2ccccc12 1875249181 JXTJQCISGUZCLS-SECBINFHSA-N 386.437 1.560 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)c3cnc4c(cnn4C(C)C)c3)C2=O)n(C)n1 266354976 DANAFTGCSJQAHL-INIZCTEOSA-N 395.467 1.980 0 50 GDAA COCCn1cncc1CNC(=O)c1c(OCc2ccccc2)c(=O)ccn1C 2100483725 KDMCRFJNQYKRER-UHFFFAOYSA-N 396.447 1.737 0 50 GDAA C[C@H]1CCCCN1CCC1CCN(C(=O)NCCCc2nnnn2C)CC1 898606123 CDLDUSCMNZXKPJ-INIZCTEOSA-N 377.537 1.829 0 50 GDAA CCS(=O)(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 899847 HQJWIOIXUJLFKA-UHFFFAOYSA-N 391.287 1.322 0 50 GDAA O=S(=O)(C[C@@H]1COCCO1)N1CCCN(c2nc3ccccc3o2)CC1 2356165059 RFCIUCKZDMDRSD-AWEZNQCLSA-N 381.454 1.085 0 50 GDAA Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(C)c1 55326029 IQTUYZSYPYJELS-INIZCTEOSA-N 390.461 1.394 0 50 GDAA C[C@@H](C(=O)N1CCN(C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 65363929 FZQWYMFRYSFVKG-LBPRGKRZSA-N 393.431 1.634 0 50 GDAA Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cnn1C 2800340 VHZZFQSLRVJEMB-ZDUSSCGKSA-N 380.445 1.907 0 50 GDAA Cn1c2c(cc(C(=O)N3CCN(C4CCSCC4)CC3)c1=O)CCCC2 215209291 UFEAQOOXXXKRIG-UHFFFAOYSA-N 375.538 1.918 0 50 GDAA CCS(=O)(=O)NCCS(=O)(=O)N1Cc2ccccc2-c2ccccc2C1 155042185 PJFJCNNLNLFWTG-UHFFFAOYSA-N 394.518 1.938 0 50 GDAA CN(Cc1nccs1)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 71764154 KPCDKQWLFMKATO-UHFFFAOYSA-N 380.477 1.981 0 50 GDAA CN(C)c1noc(CNC(=O)N2CCC(O)(Cc3ccccc3F)CC2)n1 365743000 NMFQLHCCXZGEEG-UHFFFAOYSA-N 377.420 1.554 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc3c(c2)OCCO3)c1 71747227 ZNKNANGSLCLDCT-UHFFFAOYSA-N 393.417 1.748 0 50 GDAA Cn1cc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1C(=O)O 237705926 SURUMLCEJSDFML-AWEZNQCLSA-N 383.495 1.900 0 50 GDAA Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)cc1Br 159165140 XFPHSOFIXQKBPK-NSHDSACASA-N 396.328 1.874 0 50 GDAA COCCN(C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C(C)C 71749230 DZFOSSLPQSAWKG-INIZCTEOSA-N 377.485 1.859 0 50 GDAA Cn1nccc1COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 283805218 HQZZCVJMOQYVBX-UHFFFAOYSA-N 380.451 1.589 0 50 GDAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72145281 PVVAYZOWHSAKAU-GOSISDBHSA-N 378.476 1.963 0 50 GDAA Cc1cc(C)n(CCC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(=O)n1 220105708 WIRONILCMVAOJF-WIXQSORDSA-N 397.475 1.814 0 50 GDAA Cc1csc(SCC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n1 426668417 QPMQDNOJJGZUBC-LOUJCGABSA-N 384.523 1.559 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)NC(C)(C)c2nnc(N)s2)n1 426485600 FSQZDGDPTUWQQH-UHFFFAOYSA-N 388.453 2.163 0 50 GDAA O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(Cc2ccccn2)C1 92028131 ODUKYEABFFZHOF-OAHLLOKOSA-N 378.436 1.381 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)c3ccc(Cn4cnnn4)cc3)cc2C1 91792774 QMNCTWOZUFOTBN-UHFFFAOYSA-N 394.483 1.320 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)n1 95376668 MPYUGPXKXZMOCF-UHFFFAOYSA-N 381.358 1.763 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)[C@H]3CN(C)c4ccccc4O3)cc2C1 92037334 AYXFLTLJSYURPX-HXUWFJFHSA-N 383.496 1.868 0 50 GDAA NC(=O)c1nc(CNC(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)no1 95523098 QOUFUNUTRWIVAW-AWEZNQCLSA-N 394.387 1.736 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2cccc3nonc23)C1 95375473 XKTXMJKHKRPUKU-OAHLLOKOSA-N 378.440 1.976 0 50 GDAA NC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 245237463 ZRWCNVLXUWKXER-MFKMUULPSA-N 380.242 1.278 0 50 GDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 252478171 AFCNLFPGDITUDA-MRXNPFEDSA-N 385.468 1.103 0 50 GDAA CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@@H]1C[C@H]1C(=O)O 299748158 GGYUMQSDMFGZST-NXEZZACHSA-N 375.381 1.422 0 50 GDAA Cc1nn(CC(N)=O)c(C)c1-c1cccc(C(=O)NC2(C(N)=O)CCCC2)c1 299790331 BQGFFMQBCQMCLR-UHFFFAOYSA-N 383.452 1.180 0 50 GDAA COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@H](c2n[nH]c(C)n2)C1 268462082 LBVLVTZOFXMAFV-LSDHHAIUSA-N 376.457 1.750 0 50 GDAA Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1NC(=O)CN(C)C 823676217 WMEIGYMJQNDAFN-UHFFFAOYSA-N 393.447 1.844 0 50 GDAA Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4cnccn4)CC3)CC2=O)cc1 584890402 NQKRIYAGNVTXPT-INIZCTEOSA-N 380.452 1.422 0 50 GDAA CN(CC1CCNCC1)C(=O)c1cnc(=NCc2cnn(CC3CCC3)c2)[nH]c1 1875318296 NKZGSVJTIQTCAH-UHFFFAOYSA-N 397.527 1.579 0 50 GDAA O=C1C[C@](O)(C(=O)NCC(=O)N2CCc3ccccc32)c2cc(Cl)ccc2N1 1875324031 YTLWTYCQZQLIRP-HXUWFJFHSA-N 399.834 1.575 0 50 GDAA Nc1nc2c(c(C(=O)N(Cc3ccccn3)C[C@@H]3CCC(=O)N3)n1)CCCC2 952987525 IHEQWRKHFHKRKG-AWEZNQCLSA-N 380.452 1.254 0 50 GDAA COc1cccc(CCC(=O)NC[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)c1 952984694 ABKCSLSNBCIAMF-INIZCTEOSA-N 385.468 1.723 0 50 GDAA O[C@H](Cn1cnc2c(N3CCOC[C@H]3CC3CCC3)ncnc21)[C@H]1CCCO1 888097136 BRRORBNSGROGCS-BRWVUGGUSA-N 387.484 1.762 0 50 GDAA C[C@H](NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1)[C@H]1COc2ccccc21 888093563 GUXKWFPMZMQHFA-NBQZKYEYSA-N 375.469 1.566 0 50 GDAA CCN1C(=O)C[C@H](C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)[C@H]1c1nccn1C 1775960935 KXIRVTQIXPCDKK-YJBOKZPZSA-N 399.499 1.146 0 50 GDAA Cc1nc(SCC(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)n[nH]1 1565516914 UXSZFIODJYZANW-KBPBESRZSA-N 381.458 1.301 0 50 GDAA Cc1cc(N2CCN(C(=O)CSc3ncnn3C)CC2)nc(C(C)C)n1 185741318 OJZQKYOZLUYRMV-UHFFFAOYSA-N 375.502 1.478 0 50 GDAA CC1(C)CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CCS1(=O)=O 408441796 GYAKEJMLWMTPFE-UHFFFAOYSA-N 389.499 1.489 0 50 GDAA Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc(C)c1F 408444062 QRIANOVOUUBVDN-KGLIPLIRSA-N 378.491 1.581 0 50 GDAA CN1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@@H]1c1nccn1C 275525417 FGBHTDBYSQIENI-GFCCVEGCSA-N 385.394 1.371 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2c(Cl)nc3ccccn23)C1 276529858 QZPRIXXXETWPPY-LBPRGKRZSA-N 385.859 1.706 0 50 GDAA Cn1cncc1CCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 170610284 WOKFQTAFLNVMAF-UHFFFAOYSA-N 390.509 1.844 0 50 GDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCC2(CC1)OCCc1sccc12 1704332618 TZZLMGPJCWZEMB-MRXNPFEDSA-N 391.537 1.737 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 12198980 SAXVJSXOPZTSNN-SFHVURJKSA-N 387.459 1.261 0 50 GDAA COCCCN1C(=O)C[C@](CC(=O)NCCSC)(c2ccccc2C)C1=O 14878651 LGVDEGDCOUGKOT-HXUWFJFHSA-N 392.521 1.898 0 50 GDAA CC[C@@H](C)CC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 14881410 KYNYKNAWVUMXSR-MRXNPFEDSA-N 398.511 1.743 0 50 GDAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)n1 15064861 ZQKMJRICHYKRCJ-LJQANCHMSA-N 395.507 1.185 0 50 GDAA O=S(=O)(c1ccccc1)N(C[C@@H](O)CN1CCOCC1)c1ccccc1 19791166 PHULQHSCTJMMJL-SFHVURJKSA-N 376.478 1.575 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)N=C1C 169771891 PNZQZQJNJXOFRZ-UHFFFAOYSA-N 379.438 1.710 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nnc(C)o2)C1 1857683170 DTUWHMUZSCOULM-FUHIMQAGSA-N 391.516 1.207 0 50 GDAA O=C(NCC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccncc1F 1857709661 KVJAYWWXRVJBOI-GFCCVEGCSA-N 387.415 1.094 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CCO2)n1 1857718315 SOHPCSMQTFCFRV-QGZVFWFLSA-N 384.440 1.252 0 50 GDAA COc1ccc(N2CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)CC2)cn1 1857727896 DUFNPTSWGIFVFB-GASCZTMLSA-N 385.472 1.087 0 50 GDAA Cc1cnc(C(=O)NC[C@H]2[C@H]3CN(c4ncc(F)cn4)C[C@]34CC[C@H]2O4)cn1 1857732538 VLLLCEHIBWHIEV-XWESNNAXSA-N 384.415 1.128 0 50 GDAA O=C(c1ccc(O)nc1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857738969 HBFPNCCOHKEPSK-FPOVZHCZSA-N 397.475 1.826 0 50 GDAA O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1n[nH]c2ccccc2c1=O 111556777 KZFLGVMOVGFKTN-SFHVURJKSA-N 378.432 1.726 0 50 GDAA COC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)CC1 12595916 RYFYYCWKLGMUCP-QGZVFWFLSA-N 379.501 1.169 0 50 GDAA COc1ccc2cc(S(=O)(=O)N3C[C@H]4COC[C@H](CN4C)C3)ccc2c1 1704324975 GBUYGGXIHOXEEZ-PBHICJAKSA-N 376.478 1.800 0 50 GDAA COc1cccc(N2C(=O)C[C@@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)c1 811037 DOBAPXVPNAPHTP-NRFANRHFSA-N 393.399 1.790 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1F 1079929 GHDMFBSPUSYMKH-LDYMZIIASA-N 392.408 1.615 0 50 GDAA CN1C(=O)c2ccc(C(=O)N3CC[C@@H](c4cncc(F)c4)C3)cc2S1(=O)=O 2325808613 JEFBNBOSUHFOOA-GFCCVEGCSA-N 389.408 1.625 0 50 GDAA CC1(C)N=C(O)N(C[C@H](O)COc2ccccc2C(=O)N2CCCCC2)C1=O 864119 YODASICRZKRULF-AWEZNQCLSA-N 389.452 1.587 0 50 GDAA Cc1cc(C(F)F)nn1CC(=O)N1CCc2nc(C3CCOCC3)nn2CC1 2356138812 INUGYCYIKMYKGR-UHFFFAOYSA-N 394.426 1.700 0 50 GDAA CN(Cc1cnc(N)nc1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 67725796 CMMAIHUCQOOCMV-IBGZPJMESA-N 391.422 1.323 0 50 GDAA COc1ccc(CN2CCN(CCCn3cccn3)C[C@@H]2CCO)c(F)c1 23374746 ZAOJTZRVZHATAO-SFHVURJKSA-N 376.476 1.990 0 50 GDAA C[C@@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)c1n[nH]c(=O)c2ccccc12 67643683 FKOOGHYKQPMBFF-LLVKDONJSA-N 381.392 1.354 0 50 GDAA CC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O 65363271 AVICNYCIZRUPHR-MRXNPFEDSA-N 395.525 1.572 0 50 GDAA CN(C)CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCCN2CCOCC2)s1 23619443 ORVODCGEHDQZLH-HNNXBMFYSA-N 394.541 1.035 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67817105 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O[C@@H]1C[C@H](Cc2nc(Cn3nccn3)nn2-c2nc3ccccn3n2)C12CCC2 1875335772 GKBSCGFVQDNRIT-ZIAGYGMSSA-N 391.439 1.043 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccn4ccnc34)C2)n1 1875396834 FFTJWKOIHRZVQS-MRXNPFEDSA-N 379.468 1.469 0 50 GDAA O=C1CN(C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2ncccc2F)C[C@H]3O)CCN1 2100543707 XMHIJYVWOVXQCG-QWJIHBKKSA-N 396.466 1.233 0 50 GDAA C[C@H]1CC[C@H](C)N1CC(=O)NC1(CNC(=O)C(C)(C)N2CCCCC2)CC1 2325793435 UTCVSGPHGOLLOY-IRXDYDNUSA-N 378.561 1.889 0 50 GDAA COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325870081 ILMVAKCZGRWPRW-VBQJREDUSA-N 375.450 1.835 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)CCc3ccco3)C2)n2ccnc21)c1ccncc1 2332237532 ABILVTUYPJVHTB-KRWDZBQOSA-N 391.431 1.916 0 50 GDAA O=C(NCc1ncc[nH]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 225388560 GXWCDJYSZXWZRW-UHFFFAOYSA-N 382.873 1.780 0 50 GDAA Cc1cccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 12308180 IECZAOQUUOWGAO-OAQYLSRUSA-N 392.503 1.706 0 50 GDAA CC(C)(C)OC(=O)N1C[C@H](CNC2CCN(c3nccs3)CC2)[C@@H](O)C1 225755945 LAZCMDNQQMXQBM-ZFWWWQNUSA-N 382.530 1.929 0 50 GDAA Cc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccnc(N)n3)cn2)o1 63846071 JNKBDVWFNJBETI-UHFFFAOYSA-N 378.396 1.707 0 50 GDAA NC[C@@H]1CCCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1 67783838 QJDAXCBUWXFODN-KRWDZBQOSA-N 387.528 1.194 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cc1 65455690 JGTRFYWEVXSQPX-DLBZAZTESA-N 378.425 1.464 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)Cc3noc4ccccc34)C2)n1 328612241 OCRRFOOUPNRIEL-KRWDZBQOSA-N 392.437 1.758 0 50 GDAA CCn1c([C@H]2OCC[C@H]2C)nn(CCOc2cccc(S(C)(=O)=O)c2)c1=O 328638180 PAQZYFPRPGTWIS-CJNGLKHVSA-N 395.481 1.645 0 50 GDAA COc1cccc(N2CCN(S(=O)(=O)NCc3ccccc3)[C@@H](C)C2=O)c1 72168770 SMRVWZJPPYXPDB-HNNXBMFYSA-N 389.477 1.767 0 50 GDAA Cc1n[nH]c(C)c1CCNC(=O)Cn1nc(C)n(CCc2ccccc2)c1=O 77425073 IRPJVQAXKQMWRY-UHFFFAOYSA-N 382.468 1.295 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N3CCC(CO)CC3)c2)CC1 215412216 QODDSMRFLLIASD-UHFFFAOYSA-N 378.494 1.872 0 50 GDAA Cc1cc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCO4)C2=O)n(C)n1 363290325 ZFUAOUMJSLVVDR-AWEZNQCLSA-N 385.424 1.104 0 50 GDAA Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)N3CCC4(CC3)OCCO4)nn12 13644651 MIBRNEJCTPGPKW-UHFFFAOYSA-N 396.451 1.726 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCC1)CC2 77440764 DGVFVEWGDHPYGO-AWEZNQCLSA-N 380.510 1.811 0 50 GDAA CNc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cn1 284948707 ACXJLWGLQSOFRF-UHFFFAOYSA-N 395.529 1.390 0 50 GDAA Cc1nc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 72462527 XLOYIUXLBYWTKJ-SJORKVTESA-N 389.477 1.415 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(S(=O)(=O)C4CC4)C3)CCC2=O)cn1 82106959 LNJFIDLXUQPIRE-SFHVURJKSA-N 378.498 1.482 0 50 GDAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 289989693 VTRZJEAEAULDMA-GFCCVEGCSA-N 383.470 1.131 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@]2(C(=O)O)C1 96138941 HLSBTJWAYZKRBM-LIRRHRJNSA-N 393.871 1.799 0 50 GDAA O=C(CCCn1nnnc1CN1CCc2ccccc2C1)NCc1ccco1 95497478 IFYGQIMTWMMJTF-UHFFFAOYSA-N 380.452 1.921 0 50 GDAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 426615603 VVVUFBGQRCVEET-IRXDYDNUSA-N 391.903 1.999 0 50 GDAA COc1cccc(C(=O)N2CCN(C3CCOCC3)CC2)c1OCCCN 426621858 XIHPVRMSIDQSBG-UHFFFAOYSA-N 377.485 1.360 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(C(=O)CCc1scnc1C)CCN2C 95365676 BJEGLAXRUXAVEJ-IBGZPJMESA-N 378.542 1.929 0 50 GDAA CCC(=O)N1C[C@H](NC(=O)c2cc(C)ccc2O)C[C@H]1C(=O)N(CC)CC 96153000 OEJALPXIMJWYCZ-ZBFHGGJFSA-N 375.469 1.678 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)cc1F 95099729 QLBAQCYDUWKIEK-UHFFFAOYSA-N 379.457 1.778 0 50 GDAA Cc1c(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(N)n3)C2)sc2ncn(C)c(=O)c12 253535380 WGLGHWKAXGWLPB-DTORHVGOSA-N 386.437 1.057 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2cnccn2)cc1 299783663 WHKWUZGIORGYAZ-CYBMUJFWSA-N 377.470 1.918 0 50 GDAA CC1(CC(F)(F)F)CN(C(=O)[C@@H]2CC[C@H](Cn3cnc4c(N)ncnc43)O2)C1 868810285 PGQIKGMLIYTQJP-MNOVXSKESA-N 398.389 1.757 0 50 GDAA Cc1cc(Br)c2c(c1)CCN(CCS(=O)(=O)CC(=O)O)C2 873643613 OCPMOURNFWSUPG-UHFFFAOYSA-N 376.272 1.615 0 50 GDAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2ncc(CN(C)C)c2C1 1875268973 CPOAGAXLJNJYSE-KRWDZBQOSA-N 385.468 1.254 0 50 GDAA O=S(=O)(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc2c1OCCC2 1875398731 CJMKOXWFCXMNIW-FVQBIDKESA-N 377.466 1.326 0 50 GDAA c1ccc2c(c1)CC1(CCN(c3nnnn3C[C@@H]3CN4CC5CC4(CO3)C5)C1)C2 1875311980 DZTQKKYXEKQZKV-UEUGHCDMSA-N 392.507 1.532 0 50 GDAA CNC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc(-c3cccnc3)no2)c1 952963592 HEYAGGRFOVVRIY-UHFFFAOYSA-N 386.433 1.917 0 50 GDAA O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403626 WWXOBKHCELSEBE-YMRXKLBXSA-N 377.876 1.637 0 50 GDAA O=C(CN1CCOC1=O)NC[C@@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 952988281 NDDKFTYPCMHAIN-SFHVURJKSA-N 397.479 1.653 0 50 GDAA CCOC(=O)C1=CN(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)N=C1C 169771882 NGWQJQFOLXWHQY-UHFFFAOYSA-N 399.856 1.425 0 50 GDAA CN(C)Cc1nc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cs1 1565528036 HZTZPWYKZABLJF-HOCLYGCPSA-N 376.482 1.704 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCc3nn(C)c(=O)cc3C2)ncn1 275604772 IELDVWNLXCMDPO-JXFKEZNVSA-N 384.484 1.749 0 50 GDAA COc1cc(-c2onc(NC[C@@H]3CN(C)CCN3C)c2C(=O)O)ccc1F 1704315830 OZOAZZPXVFWXSE-GFCCVEGCSA-N 378.404 1.845 0 50 GDAA O=C(CCC(=O)N1CCCN(C(=O)c2cscn2)CC1)Nc1nncs1 1772711877 XXRLKNSQVKGAOZ-UHFFFAOYSA-N 394.482 1.088 0 50 GDAA Cc1nnc(SCCNC(=O)Cn2nnnc2CN2CCCCCC2)s1 11879781 SAXTVMHJJHWRLE-UHFFFAOYSA-N 396.546 1.118 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC)CC2)cc1C 11998192 LEEITPHYSITLLX-GOSISDBHSA-N 389.496 1.332 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3ccccc3)C[C@H]12 14541382 RDMQEBFFHCNMCX-QZTJIDSGSA-N 379.416 1.439 0 50 GDAA O=C(Nc1ccc(F)cc1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14733185 UEFVJYVQVYBSGC-KSZLIROESA-N 396.422 1.658 0 50 GDAA O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 16650312 FPRJUSPWOMZEPO-IBGZPJMESA-N 394.537 1.956 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857704337 OJQHXDLKYBHNBZ-OXJNMPFZSA-N 381.436 1.323 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1CCC2(CC1)CNCCO2 1857718818 UOHLPTOFVOXUNY-MRXNPFEDSA-N 399.495 1.810 0 50 GDAA CCN(C)S(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)s3)C[C@]23CC[C@H]1O3 1875244398 IMEZGWCMIUVFAT-BSDSXHPESA-N 399.582 1.822 0 50 GDAA COc1ccc(/C=C/CNCCn2cc(C(=O)NCc3ccccn3)nn2)cc1 15000159 MJYLSVFBFARNFQ-SNAWJCMRSA-N 392.463 1.915 0 50 GDAA CC(C)n1cnc(S(=O)(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 151882845 PYMSIBJEYPTZQD-UHFFFAOYSA-N 378.502 1.089 0 50 GDAA COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](C)CC(=O)O)C(C)C)c1 262120348 GPGVROPBGJKRCX-YVEFUNNKSA-N 380.441 1.685 0 50 GDAA CN1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1=O 265648846 KTSPRXLHXRTWJB-GOEBONIOSA-N 377.872 1.881 0 50 GDAA NCCc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 841877243 ZIHMXVMFKAHAJU-IBGZPJMESA-N 381.480 1.573 0 50 GDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H](c2ccc(F)cn2)C1 2325751213 AAHYVJWATQAKQM-LBPRGKRZSA-N 389.408 1.381 0 50 GDAA CCN1CCN(c2ccc(C(=O)NCc3cc(O)n4nccc4n3)cc2F)CC1 2325786878 RYZKMSIWKKBXKC-UHFFFAOYSA-N 398.442 1.646 0 50 GDAA O=C(C[C@@H]1CCC(=O)NC1=O)NCc1ccc(I)cc1 2325787040 YIWMQVVRQNVTSC-JTQLQIEISA-N 386.189 1.350 0 50 GDAA Cc1cc(Cl)cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2(O)CCOCC2)c1 2325828499 ITGZRUXOTRGQPA-HOTGVXAUSA-N 378.856 1.615 0 50 GDAA CCc1c(C(=O)N[C@@H]2CCN(C(=O)C3([C@@H]4CCCCO4)CC3)C2)nnn1CC 2325829265 DTRRTDWXDDCUQK-ZBFHGGJFSA-N 389.500 1.540 0 50 GDAA Cc1cc[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)C[C@@H]3CCN(C)C3)c3nccn32)C1 2332238106 ZHPZPCCNXCIWTA-JKSUJKDBSA-N 396.495 1.274 0 50 GDAA CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 778727 AGPZYNATRXYXLQ-UHFFFAOYSA-N 376.848 1.099 0 50 GDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)c(Cl)c2)n(C)c1=O 851758 UWCWJEUCRTYVRU-UHFFFAOYSA-N 382.207 1.379 0 50 GDAA biogenic Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2Cl)n(C)c1=O 851764 BHFSERMJVJNWHL-UHFFFAOYSA-N 382.207 1.379 0 50 GDAA biogenic CCN1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 246060611 DEXMLUIQIXKZGZ-YJBOKZPZSA-N 392.475 1.907 0 50 GDAA CCc1cc(N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)nc(N2CCCCC2)n1 2356153654 PSGTTZAVEQUJCA-WMZOPIPTSA-N 376.501 1.510 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)C3CCS(=O)(=O)CC3)C1)CC2 2356154361 SCLRYGIPEYDCSN-IBGZPJMESA-N 392.525 1.174 0 50 GDAA Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356154820 LMPDTBRQXTYEOI-FNXXIHLHSA-N 379.464 1.975 0 50 GDAA N[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356157400 IXVPFWPQFMKQDK-HCXYKTFWSA-N 379.460 1.839 0 50 GDAA O=C(NCc1ccon1)[C@@H]1[C@H]2CN(Cc3cnc(-c4ccccn4)nc3)C[C@H]21 102815422 VMMDMMBCWZRJOH-VQFNDLOPSA-N 376.420 1.521 0 50 GDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 65372185 ZAMGWQVTQBWGPC-UHFFFAOYSA-N 384.436 1.125 0 50 GDAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CCN2CCOCC2)CC1 20854213 ACPROCWOYDNVPI-GOSISDBHSA-N 396.528 1.840 0 50 GDAA CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCN(c3nc(C)cc(C)n3)CC1)C2 67741772 IZAIXIVLEOHDSP-OAHLLOKOSA-N 384.484 1.688 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN3CCCOCC3)C2=O)c1OC 67654471 KSUDSEWOPIUEIC-FQEVSTJZSA-N 378.469 1.280 0 50 GDAA O=C(NCc1ccccn1)c1ccc(OC2CCN(C[C@H](O)CO)CC2)cc1 12431274 XQRPYIHVVLTBGD-SFHVURJKSA-N 385.464 1.208 0 50 GDAA O=C(O)CN(Cc1ccc(F)c(F)c1)C(=O)CN1C(=O)COc2ccccc21 431994552 WAYOWWRPPNPIOZ-UHFFFAOYSA-N 390.342 1.804 0 50 GDAA O=S(=O)(c1ccc(CN2CCC[C@@H]2CN2CCC[C@H]2CO)o1)N1CCCC1 252675105 SYZYVWLSCJWUMA-SJORKVTESA-N 397.541 1.485 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)NCc2noc(C3CCCC3)n2)c1 216290846 YGQIKYMKQLCOIS-UHFFFAOYSA-N 378.454 1.908 0 50 GDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C(=O)NC(C)C)C2)CC1 72147454 FAZAGXKSZVEPQL-QGZVFWFLSA-N 388.512 1.333 0 50 GDAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)C1 237379837 JWRJAXMGUAXTNE-KGLIPLIRSA-N 379.486 1.142 0 50 GDAA O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2ccccc2)C1 363540429 WLNRIRVAZZCRBM-MRXNPFEDSA-N 381.432 1.930 0 50 GDAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1ccc[nH]c1=O 72164263 VBMDUXMQNUYRLT-KBPBESRZSA-N 376.420 1.990 0 50 GDAA CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)ccc1F 375039319 BMPSDQZMYCSVBU-AWEZNQCLSA-N 382.457 1.846 0 50 GDAA C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 241173108 KGCNYWKNLKZJCG-ZVGUJKQYSA-N 388.464 1.632 0 50 GDAA Cc1c(C(N)=O)sc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1C(=O)OC(C)C 17081299 QAYXIELJSVMRDR-QWRGUYRKSA-N 397.497 1.768 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H](c1cccc(C)c1)N(C)C)C2 426589762 KVFJCXGQGIODGH-HXUWFJFHSA-N 383.496 1.863 0 50 GDAA CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCN(c3ccccc3F)C2)c1 289716237 YUKXYOIOUIVQRJ-HNNXBMFYSA-N 391.468 1.877 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)CSC)C[C@@H]1N(C(=O)c1ccc(N)nc1)CC2 534641477 KFVYEBUBMRGRJA-QWQRMKEZSA-N 378.498 1.295 0 50 GDAA CN(C[C@H]1CCCCO1)C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 299767268 QHYAVCUWVALNQK-CYBMUJFWSA-N 375.473 1.976 0 50 GDAA Cc1ccc2c(C)nc(N3CCC(C(=O)NC[C@@H]4COCCO4)CC3)nc2c1 299759226 CLBMZXOUDHMGMV-QGZVFWFLSA-N 384.480 1.995 0 50 GDAA C[C@@H](NC(=O)NC1CCN(C2CCOCC2)CC1)[C@@H](O)c1ccc(O)cc1 584900865 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CO[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1C(F)(F)F 1775991389 KEOWIXXUAIMQOS-YNEHKIRRSA-N 388.390 1.340 0 50 GDAA COc1coc(C(=O)N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)cc1=O 1565526533 JIPSWWIDRCVASI-RBZFPXEDSA-N 390.436 1.440 0 50 GDAA O=C(NCCN1CCCOCC1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 187359511 LCHQCCMQGPLGID-INIZCTEOSA-N 398.866 1.606 0 50 GDAA O=S(=O)(NCCCc1nn[nH]n1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506405160 VGHDWAYVQXCYFH-UHFFFAOYSA-N 391.335 1.113 0 50 GDAA CN(C)CCN(Cc1cnc[nH]1)C(=O)Cc1cc2c(cc1Cl)OCCO2 1704335562 OPAUVILXIRPOMX-UHFFFAOYSA-N 378.860 1.967 0 50 GDAA Cc1nc(O)cc(CN2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)n1 1772712080 HCRLRGUUHNKOOS-UHFFFAOYSA-N 386.500 1.508 0 50 GDAA COCCCNc1nc2nonc2nc1N1CCC[C@H](CN2CCCC2)C1 11947610 PWEUARTUBMAVTO-CQSZACIVSA-N 375.477 1.773 0 50 GDAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CCC(=O)N(C)C)CC1 12431619 YGIXWVOKQXCDPC-UHFFFAOYSA-N 377.489 1.900 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCC2)c1OC 12595466 XEHSUMPGKPREDM-MRXNPFEDSA-N 375.469 1.453 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)c1ccc(Cl)c(Cl)c1 14733720 ZJWIVWUTLBJFIW-BPNCWPANSA-N 382.247 1.697 0 50 GDAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc[n+]([O-])c1 14971969 TXROVYVNLIQJKT-AWEZNQCLSA-N 379.338 1.870 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCN2CCCCC2)cc1 15063322 AXPSRYSGIYNCGF-HXUWFJFHSA-N 386.540 1.630 0 50 GDAA O=C(Cc1ccc(F)cc1)N1CC[C@@]2(C1)Cn1c(nnc1-c1cc[nH]n1)CO2 1857682712 LZKNXNPNDJYVIC-LJQANCHMSA-N 382.399 1.551 0 50 GDAA CC(=O)N1CCC(N[C@@H]2C[C@@H](C(=O)N3C[C@H]4CC=CC[C@H]4C3)CC[C@H]2O)CC1 1857687822 GREHDDWDNLACSM-FSAOVCISSA-N 389.540 1.541 0 50 GDAA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)CC1 1857719161 FTBOPIZUIRECGI-WDSOQIARSA-N 385.508 1.825 0 50 GDAA CCCN1CCC(N2C[C@@H]3[C@H](CNC(=O)COCC)[C@H]4CC[C@]3(C2)O4)CC1 1857739733 QGSLCARLNVZDAA-QEUVDIPISA-N 379.545 1.493 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1n[nH]c3c1CCCC3)C2 247513226 IYMLCVQWPXVUAS-KGLIPLIRSA-N 380.514 1.104 0 50 GDAA CCn1cc(CN2CCN(Cc3ccc(C)o3)[C@H]3CS(=O)(=O)C[C@H]32)cn1 248073603 GQJMBZDMGKMVNR-MSOLQXFVSA-N 378.498 1.288 0 50 GDAA CCn1cc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)CCc2ccncc2)C3)cn1 1704336362 GVQMRSYDMRAEIF-PMACEKPBSA-N 383.496 1.590 0 50 GDAA COc1ccc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1Cn1cncn1 1704301359 WHIPNDJPORFYEZ-YVNJGZBMSA-N 397.523 1.876 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC(=O)N(CC3CC3)C2)(c2ccccc2)CC1 847993522 PBZOAVPBLNEKCE-UHFFFAOYSA-N 381.476 1.771 0 50 GDAA NC(=O)Cn1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c2ccccc21 39413471 SNABAXHDSAEMMB-LJQANCHMSA-N 384.524 1.938 0 50 GDAA NS(=O)(=O)c1cc(C(=O)N2C[C@]34CCC[C@@]3(COC4)C2)cc2c1CCC2 2325781619 OWXZBPMVKMKCAY-OALUTQOASA-N 376.478 1.465 0 50 GDAA CN1CCC(n2cc(NC(=O)C(=O)NCc3cccc4[nH]ncc34)cn2)CC1 2325859180 QKOCDKOFQPEBNE-UHFFFAOYSA-N 381.440 1.281 0 50 GDAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2cc(O)ccc2O)c2ccccc21 915223 FIBCAYWMFRHQPK-FQEVSTJZSA-N 385.372 1.468 0 50 GDAA Cc1sc2nc(CSCC(=O)N3CCC(C(N)=O)CC3)[nH]c(=O)c2c1C 5255173 VIIDVTCMJYASRM-UHFFFAOYSA-N 394.522 1.559 0 50 GDAA COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1C1CCCCC1 12036707 UPOZZDNOCSDNLE-MOPGFXCFSA-N 398.511 1.989 0 50 GDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 12136083 KCZGMZGXWVWCSK-HNNXBMFYSA-N 391.859 1.785 0 50 GDAA COc1ccc(-c2noc(CN(C)C[C@H]3COCCO3)n2)c(OC)c1OC 12579994 AZPPLWHZVAWKOZ-LBPRGKRZSA-N 379.413 1.610 0 50 GDAA O=C(NC[C@H](O)CO)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12595133 FIJVHRZEXPFTEN-FQEVSTJZSA-N 398.503 1.856 0 50 GDAA COCCNc1nc2nonc2nc1N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 19789662 WZGGYRVAIBEEEA-BETUJISGSA-N 391.476 1.149 0 50 GDAA Cn1cc(C(=O)O)c(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)c(F)c2)n1 20616437 RDVOFKONPDDQRG-CYBMUJFWSA-N 387.415 1.794 0 50 GDAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)s1 23506598 MCCUIIIYOFJMOT-AWEZNQCLSA-N 382.445 1.921 0 50 GDAA COc1cccc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 27661217 HWWBNGTUXWBWHI-UHFFFAOYSA-N 380.491 1.794 0 50 GDAA COc1cc(OC)nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)n1 35877353 SMEVPHASEFMFRF-UHFFFAOYSA-N 375.404 1.394 0 50 GDAA COc1cccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)c1OCCn1ccnc1 63848821 BBSPGSALXJXBEE-OALUTQOASA-N 386.496 1.612 0 50 GDAA CN1CCC(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 65356362 AJUJZMJYYFPQEL-UHFFFAOYSA-N 395.525 1.169 0 50 GDAA COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3nnn[nH]3)[nH]n2)c(Cl)c1 67674815 AVOKAUWQXBCYPD-QMMMGPOBSA-N 377.792 1.655 0 50 GDAA Cc1ccsc1[C@@H]1CCN(C(=O)COc2cccc(-n3cnnn3)c2)C[C@H]1O 67742362 XJEPDSGOWRHXEV-IAGOWNOFSA-N 399.476 1.788 0 50 GDAA COC(=O)CCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71756990 LQQAZBNTUSFSDE-QGZVFWFLSA-N 388.512 1.437 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccc1O)CC2 91460239 RNCZPJHQKFXHEE-UHFFFAOYSA-N 384.436 1.278 0 50 GDAA COc1cccc(-c2nc3ccc(C(=O)N4CCO[C@H](C(N)=O)C4)cc3o2)c1 95529318 DWBIEZHMAJHNBA-KRWDZBQOSA-N 381.388 1.830 0 50 GDAA COc1ccc(OCC2CCN(C(=O)CN3C(=O)CCNC3=O)CC2)cc1 95529862 FYDMCWKNIQUFMH-UHFFFAOYSA-N 375.425 1.255 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccs2)CN1C1CCN(C)CC1 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Cc1cc(C)c2c(CC(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)coc2c1 215925656 QCHAHVDOCXWAGA-OAHLLOKOSA-N 380.466 1.369 0 50 GDAA O=C(O)CC[C@@]1(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)CCC(=O)N1 218544528 BEARSBCPMNVNOV-FQEVSTJZSA-N 389.452 1.335 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 244741976 NZXWQZKTCYVXBH-TXEJJXNPSA-N 380.832 1.452 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 328636247 NYWJKLOXWSYZPF-CYBMUJFWSA-N 384.465 2.122 0 50 GDAA C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)n1cccn1 329027598 KEKLYAPDFLZPCI-DZGCQCFKSA-N 385.472 1.304 0 50 GDAA COc1cc(NC(=O)[C@H]2CCCc3nn(C)cc32)ccc1NS(C)(=O)=O 331917630 ZBQVEMORMXHAQE-LBPRGKRZSA-N 378.454 1.859 0 50 GDAA CN1CCO[C@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)C[C@H]21 332799441 ZXEJJQULBDRHAG-SJORKVTESA-N 379.432 1.349 0 50 GDAA COc1ccc(CCNC(=O)N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1F 378180369 VDYICLJGBAHQIO-YJYMSZOUSA-N 392.431 1.397 0 50 GDAA CCc1cc(N2CCn3nc(CNC(C)=O)cc3C2)nc(N2CCCCC2)n1 426571606 MOBYLUMGXDRZQK-UHFFFAOYSA-N 383.500 1.882 0 50 GDAA CN=c1nc(-c2ccc(C(=O)NCc3cncn3CCOC)cc2)[nH]cc1F 426656926 JIAXTOUCIYEGEK-UHFFFAOYSA-N 384.415 1.519 0 50 GDAA CCOc1cccnc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 482510814 SBNMCAHLXCNEDM-UHFFFAOYSA-N 383.452 1.507 0 50 GDAA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCCc2nccn2Cc2ccccc2)C1=O 498816646 UCLAOVFLZYLFOX-QZTJIDSGSA-N 381.480 1.736 0 50 GDAA CCN(CC)[C@@H](CNC(=O)N1CCc2c(c(CO)nn2C)C1)c1ccco1 534581709 YPPCYCYAZXSMHM-KRWDZBQOSA-N 375.473 1.656 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)N[C@@H]3CCCN(c4cnccn4)C3)cc21 534647251 SPTUBANLFBDLAR-CQSZACIVSA-N 382.424 1.622 0 50 GDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 584891857 VLAOWUQYDGBXST-HUUCEWRRSA-N 378.454 1.030 0 50 GDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 850973932 AJBPKTYPBHTDPD-JKSUJKDBSA-N 398.440 1.829 0 50 GDAA C[C@H](O)c1nnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1C 1338534724 HXMBVYDIPIBZNG-NSHDSACASA-N 385.877 1.033 0 50 GDAA Cc1nc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(N)n4)C[C@]34CC[C@H]2O4)cs1 1704325574 QCGQEYPNRXTTRE-NMFBSDBYSA-N 386.481 1.238 0 50 GDAA CN(C)C[C@@]12CN(C(=O)CC3=CCCC3)C[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1772707282 XJBZKYRPJQTIHI-GCJKJVERSA-N 398.507 1.750 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@]2(CO)C1 1772712705 OXHUAFQHSPBIDK-FOIQADDNSA-N 382.468 1.330 0 50 GDAA O=C(CCc1cccnc1)N1CCCN(S(=O)(=O)c2cccs2)CC1 1772806265 ALUQGQBPKOTYSK-UHFFFAOYSA-N 379.507 1.999 0 50 GDAA COCCCC(=O)N1CCC[C@@H]2CN(C(=O)c3cn(C(C)C)nn3)CC[C@@H]21 1775991354 KIFZWYJXLFUONJ-WBVHZDCISA-N 377.489 1.739 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nn(C)cc3Cl)C2)n1 1857531430 SXNFUCRMSKXNMY-GFCCVEGCSA-N 377.880 1.208 0 50 GDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3cc(N4CCC(O)CC4)ncn3)C1)CC2 1857668391 HDGQOTDQXJRZKR-OAQYLSRUSA-N 396.495 1.726 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1CCCCn3nnnc31)CC2 1857697023 RVNRAEKOEIFLDF-KRWDZBQOSA-N 391.479 1.969 0 50 GDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cn3ncc4ccccc43)CC(=O)N21 1857713346 VUZKJBBCSZKRIM-JYJNAYRXSA-N 384.436 1.047 0 50 GDAA COCCn1nnc([C@@H]2CN(Cc3cc(Cl)cc(OC)c3OC)CCO2)n1 1857736283 IYLVHFUBBNXTNR-HNNXBMFYSA-N 397.863 1.564 0 50 GDAA NC(=O)[C@H](NC(=O)CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 1875262196 PVSRHPQSPBYTRB-YLJYHZDGSA-N 399.422 1.867 0 50 GDAA O=C(N[C@@H](CO)C(=O)NCCc1cc(C(F)(F)F)co1)c1ccc(F)cc1 1875300732 OQXNXDRSWOTFTK-AWEZNQCLSA-N 388.317 1.887 0 50 GDAA Cc1cnccc1C(=O)NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2 1875312756 UBVUYCFYSIXNHH-LIRRHRJNSA-N 378.440 1.259 0 50 GDAA COCCn1nc(C)c(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c1C 1875314697 MVWDREFHDZTUTG-RISCZKNCSA-N 375.473 1.832 0 50 GDAA Cn1ncc2c1CCN[C@H]2C(=O)NCc1cccc(OCc2ccccn2)c1 1875392700 OXKPYZAJFCTIPN-HXUWFJFHSA-N 377.448 1.897 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cc4ccccn4n3)C2)c1C 1875397736 LTZFOGSHTNFEJD-MRXNPFEDSA-N 393.495 1.811 0 50 GDAA CN(CCc1ncc(Br)cn1)C(=O)[C@@H]1CNC[C@H]1[C@H]1CCOC1 1875405683 MCYBRPGTMZNTGY-FPMFFAJLSA-N 383.290 1.112 0 50 GDAA C[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@@H]1CN=c1ccc2nnnn2[nH]1 2325794525 FONFISLGQCLSKP-LDJSJTNNSA-N 383.500 1.664 0 50 GDAA O=C1CSC[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C2CCC3(CC2)CC3)N1 2325826626 HLLRFKJFDRMRFA-JYJNAYRXSA-N 393.553 1.590 0 50 GDAA CC(C)=C(C)C(=O)N1C[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C[C@@H](O)C1 2325878380 NFJIFRSOSOPMRQ-JKSUJKDBSA-N 377.489 1.372 0 50 GDAA O=C(O)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)NC3)cc1Cl 2325898953 GLEVUUQJESDUIQ-UHFFFAOYSA-N 380.809 1.613 0 50 GDAA O=C(CCCn1cncn1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356135615 MDWNYDRXECLWOA-ZWOKBUDYSA-N 389.500 1.345 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnn(C)c2)CC[C@H]1NC(=O)NC(C)C 2356168210 UJUACBVYLHBCTI-GVDBMIGSSA-N 379.505 1.708 0 50 GDAA COc1nc2c(cc1CN1C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C1)O4)C(=O)N(C(C)C)C2 2356135217 UFMSSRPSMCXZCB-JQZBISMTSA-N 387.480 1.426 0 50 GDAA COc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccccc2)cc1 2869024 WIDRBVHSPKYPIJ-UHFFFAOYSA-N 391.478 1.742 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccn4ncnc4c3)C1)CC2 2356138679 PDFWSUZVBMEJRJ-HXUWFJFHSA-N 377.452 1.706 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1ccc2nn[nH]c2c1 2356147785 PCDVPGAOEVACND-BMGDILEWSA-N 385.468 1.884 0 50 GDAA Cc1cccc2ncc(C(=O)N3CCC[C@@]34CCCN(C3CC3)C4=O)c(=O)n12 2356150878 DJGIGQRPIFPKGU-OAQYLSRUSA-N 380.448 1.763 0 50 GDAA O=C(Nc1ccc(CC(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)cc1)C1CC1 2356156344 WTGNOAILIQUDFG-HKUYNNGSSA-N 388.464 1.081 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1 4029891 YNVNVUVIHRYHDO-XLSPSMHOSA-N 394.420 1.567 0 50 GDAA biogenic CNC(=O)c1cccc(CCC(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c1 225499399 JMGANBXIBVIMLS-OAHLLOKOSA-N 375.469 1.075 0 50 GDAA O=C(c1c[nH]c2ncnn2c1=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 102261765 OCHXMXHVJCUTQR-AWEZNQCLSA-N 381.440 1.434 0 50 GDAA Cn1nnnc1SCCNC(=O)CCSc1ccc2c(c1)OCCO2 55283010 DLAYPSKGKCRSLD-UHFFFAOYSA-N 381.483 1.372 0 50 GDAA CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCn3nc(C(=O)O)cc3C1)C(=O)C2 65373882 IXLXVHHGABLDKG-PIGZYNQJSA-N 381.454 1.122 0 50 GDAA CCNc1cc(N2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)nc(C)n1 65363426 ASJGVGWFANOZGP-UHFFFAOYSA-N 391.497 1.736 0 50 GDAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCC(C(N)=O)(N2CCCCC2)CC1 63883143 WANOVWQDFTUFFV-GOSISDBHSA-N 389.496 1.935 0 50 GDAA Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O 67692414 NIFSTUSZQYATEV-PKOBYXMFSA-N 375.469 1.428 0 50 GDAA COc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N(C)C 229712691 LGWVVCXIMMOMCZ-HUUCEWRRSA-N 397.541 1.796 0 50 GDAA COc1cc(F)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)cc1OC 328617264 COSRMFSAORAEJN-GXSJLCMTSA-N 387.389 1.031 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)ccc21 328617187 CKLNCEURHCFWRC-FUHWJXTLSA-N 390.465 1.138 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cncn4C)C3)cc12 328623713 JIFXTUKOKXDECU-BDJLRTHQSA-N 391.453 1.717 0 50 GDAA CCCCN1CCN([C@@H](C(=O)N2CCSCC2)c2ccccc2)C(=O)C1=O 77343091 YEEFZEUBOIBOLZ-QGZVFWFLSA-N 389.521 1.774 0 50 GDAA CN(C)CCNC(=O)C1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 154618473 BHIQKSYTOAZRTB-UHFFFAOYSA-N 387.459 1.746 0 50 GDAA Cc1nnc(-c2cccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)c2)n1C 378216010 BEGOXMGRIYSGIP-UHFFFAOYSA-N 376.376 1.573 0 50 GDAA COc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1OCc1cscn1 262964736 KTQTXFFENNXHSG-HNNXBMFYSA-N 378.406 1.656 0 50 GDAA O=C(C1CCOCC1)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77286595 QSBVAHOKBIFDEJ-UHFFFAOYSA-N 378.494 1.829 0 50 GDAA COc1cc(CNC(=O)[C@@H]2CC3(CCNCC3)CN2C)cc(OC)c1OC 72469921 YNPFILIHMFAAIS-HNNXBMFYSA-N 377.485 1.403 0 50 GDAA Cc1[nH]nc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)c1Cl 221315307 JSOACTIXZWJIEF-HNNXBMFYSA-N 375.820 1.039 0 50 GDAA Nc1cnc(-c2cccc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)c2)cn1 426620025 LBBOIMPNMDONFP-INIZCTEOSA-N 375.436 1.915 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@H](O)CC(C)C)CC3)cn1 91707071 WCWLQOQXXLNTEP-GOSISDBHSA-N 388.512 1.923 0 50 GDAA Cc1cccnc1C[C@@H](C)NC(=O)N1CCN(c2ccc3nccn3n2)CC1 426358898 DPEICEMMTFAROC-MRXNPFEDSA-N 379.468 1.896 0 50 GDAA O=C(c1ccccc1)N1CCN(C(=O)c2cnc(-c3ccccn3)nc2O)CC1 92028903 FVQZUDDTYQLOJT-UHFFFAOYSA-N 389.415 1.842 0 50 GDAA O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)[C@H]1C=C[C@H]2C1 239310047 HZWPOLHNDNVIIT-FGHRBXFKSA-N 380.444 1.381 0 50 GDAA CC1(C)CN(C(=O)CCn2cc(Cl)cn2)CC[C@]1(O)CN1CCOCC1 91536537 ARJSWCDQHXPTSW-SFHVURJKSA-N 384.908 1.248 0 50 GDAA COc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)c1 95380455 RBFYEKYONNQPAR-SFHVURJKSA-N 376.453 1.700 0 50 GDAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 267517414 FACNWJWTEWZHOO-LLVKDONJSA-N 384.845 1.825 0 50 GDAA COCCN1CCC[C@@]2(CCN(C(=O)NCc3ccc(OC)cc3)C2)C1=O 95382906 LTDYWRPUDBNXON-FQEVSTJZSA-N 375.469 1.866 0 50 GDAA C[C@H](NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)c1ccc(-n2cncn2)cc1 252675535 UHLRUKJYBVDCJM-CWRNSKLLSA-N 380.456 1.792 0 50 GDAA CCN1CCC(N(CCc2ccccn2)C(=O)Cn2cc(C)c(O)nc2=O)CC1 1506412947 PYHYIVKZPZQAGE-UHFFFAOYSA-N 399.495 1.208 0 50 GDAA COCC(=O)N1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299758778 PJAMGBBZDSTROL-ZCNNSNEGSA-N 385.508 1.919 0 50 GDAA CN(C(=O)CCn1cnccc1=O)C1CC(N=c2nc(C(C)(C)C)[nH]s2)C1 1875334082 XGFLFVFINVYLNJ-UHFFFAOYSA-N 390.513 1.306 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnc(C4CC4)nc3)C2)c1C 1875397384 YDIODOSEBZYNDP-QGZVFWFLSA-N 395.511 1.831 0 50 GDAA O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccccc1O 886025204 CFHXIELZADRMCK-ZDUSSCGKSA-N 383.360 1.570 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@H](CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 170621510 ZBAFGZPFSITABA-OAHLLOKOSA-N 394.516 1.056 0 50 GDAA Cc1nc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cs1 1506395196 DCWLEAMPNMETAV-CYBMUJFWSA-N 398.510 1.887 0 50 GDAA COc1cccc(CN2CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC2=O)c1 1529179574 CNMQRIFNENFORA-QGZVFWFLSA-N 397.479 1.295 0 50 GDAA COc1ccc(NC(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1Cl 1800412245 WSDWNVZPDPTAOQ-AWEZNQCLSA-N 394.859 1.693 0 50 GDAA CC(C)Cn1c(CN(C)C[C@@H](O)CO)cnc1S(=O)(=O)Cc1ccccc1 12316769 RAMZFFIBKFERHB-GOSISDBHSA-N 395.525 1.298 0 50 GDAA Nc1cccc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)CN3CCCCC3=O)C2)n1 1857666322 CJJUGIVUIFOYIW-CABCVRRESA-N 387.484 1.081 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C(=O)C3CCC3)C[C@]23CC[C@H]1O3 1857715322 MHSMROFEQDMUDM-HNSFDTNUSA-N 376.482 1.382 0 50 GDAA CCCc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)cc2)[nH]1 1857716471 NMJDTWYBHLAIBB-YJLNNSPDSA-N 384.480 1.710 0 50 GDAA Cc1ccn2c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)nnc2n1 1857736045 NMJSYQBKXZZPCW-GJZGRUSLSA-N 387.827 1.661 0 50 GDAA NC[C@@H]1CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 237946167 ZHVPDHXHKQCTEX-LBPRGKRZSA-N 379.258 1.499 0 50 GDAA COCC(=O)N1CC[C@@]2(O)CCN(CCCOc3ccc(F)cc3)C[C@H]2C1 247851393 RSWNTZXEQNYCSP-JXFKEZNVSA-N 380.460 1.526 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)c1ccccc1 262435879 NAXONFWINMJBRP-FZMZJTMJSA-N 395.437 1.290 0 50 GDAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)COc1ccccc1)C2 1704327819 KFTXPGQVUNWGRV-IRXDYDNUSA-N 385.468 1.036 0 50 GDAA CCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1067189 OVRYRCLLSWSOIB-UHFFFAOYSA-N 377.260 1.220 0 50 GDAA Brc1ccc(-c2noc(-c3cn(C[C@H]4CNCCO4)nn3)n2)s1 2325771038 YDWYHDXVBKXDKF-MRVPVSSYSA-N 397.258 1.808 0 50 GDAA O=C1N[C@H](Cc2cncc(Br)c2)C(=O)N[C@@H]1Cc1ccncc1 2325776849 FEMLGMKNFGKJAV-ZIAGYGMSSA-N 375.226 1.008 0 50 GDAA Cc1nccn1-c1cccc(=N[C@@H]2C[C@@H](Cn3cc(C(=O)O)cn3)C[C@H]2O)[nH]1 2325786183 NHAZDDHVYUDQOK-FVQBIDKESA-N 382.424 1.144 0 50 GDAA C=CC(=O)NC[C@@H](O)C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 2325901739 WAMXJJZGUJBTES-NVXWUHKLSA-N 391.855 1.277 0 50 GDAA N=c1[nH]c(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cs1 2356142684 CGUHLJPTKXDLBC-AFBRZQFHSA-N 397.504 1.546 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)OCC(=O)N1C 2356150840 BSJPPNHWBYYXOT-UXHICEINSA-N 399.491 1.412 0 50 GDAA O=C(NCc1cc(CNC(=O)c2nnc3n2CCCCC3)ccn1)c1ccc[nH]1 2356161778 JPUNOWJGCZMTCG-UHFFFAOYSA-N 393.451 1.588 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)o1 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67805426 HOIAXLAWSJOHOZ-UHFFFAOYSA-N 380.445 1.471 0 50 GDAA CN(C)c1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)ncn1 65435066 YAQJEZSPTRRFBJ-UHFFFAOYSA-N 379.461 1.412 0 50 GDAA O=C(CC[C@H](NC(=O)c1ccccc1)C(=O)NCCCO)OCc1ccccc1 4425334 UFQDPZSNNHNUDG-IBGZPJMESA-N 398.459 1.807 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CO)C(=N)O)cc2)c1 328591970 JBDXADLLMIOOQI-HNNXBMFYSA-N 391.449 1.730 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(N(C)CC3(CO)CCOCC3)c12 72470802 IPGNUYCEIKHCNC-UHFFFAOYSA-N 382.468 1.959 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77484851 QVNFZHSKOWGPEN-UXHICEINSA-N 399.516 1.822 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2noc3c2CCCC3)cn1 328628708 NYRISZWSZBENIN-AWEZNQCLSA-N 378.454 1.382 0 50 GDAA COc1ccccc1CNC(=O)CN1CCC(CCN2CCOCC2)CC1 363635412 WFMZVSWBAHEUAY-UHFFFAOYSA-N 375.513 1.746 0 50 GDAA CN1C(=O)C[C@@H](C(=O)NCc2ccc(OC3CCCC3)nc2)[C@@H]1c1ccnn1C 366311740 NAMPXDQFCFIRCF-OXQOHEQNSA-N 397.479 1.972 0 50 GDAA 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CC1(C)CN(C(=O)c2cn(CCN)nn2)[C@H]1c1nccn1-c1ccc(F)cc1 952895584 XIDLBVQJWZLPOD-INIZCTEOSA-N 383.431 1.785 0 50 GDAA CN(C)CC(=O)Nc1cccc(CNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1 1875270323 DQRAKRUOCJKNBK-GOSISDBHSA-N 384.484 1.607 0 50 GDAA C[C@H]1CC2(CCN(c3ncnc4c3CCC4)CC2)CN1C(=O)c1cnc(O)n1C 1875326996 OIVZFGLFRFKQJE-AWEZNQCLSA-N 396.495 1.926 0 50 GDAA COCCn1nc2c(c1C(=O)NCCN1CCOCC1(C)C)C[C@H](C)O[C@@H]2C 1875316200 ZZSHEHMTPDIHSH-LSDHHAIUSA-N 394.516 1.392 0 50 GDAA O=C(CN1CCCC1=O)N1CCC2(CC1)CN(c1ncccc1F)CCO2 952982475 PRMSAESETDYVQS-UHFFFAOYSA-N 376.432 1.041 0 50 GDAA COCC(=O)N1CCN(C(=O)NC2CC(F)(F)C2)CCC12CCOCC2 1775961332 SOXYPIZOCIKMNH-UHFFFAOYSA-N 375.416 1.224 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(Cc3cc(=O)c4ccccc4[nH]3)C[C@@H]2O)no1 1565507943 CDFXDLBFHNNBJB-LPHOPBHVSA-N 382.420 1.190 0 50 GDAA NC(=O)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c(F)c1 746011137 FRIRIRJIWRNPLQ-HNNXBMFYSA-N 387.346 1.122 0 50 GDAA NS(=O)(=O)c1ccc(CCNc2cncc(C(=O)N3CCCC3)n2)cc1 1529126092 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O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15934930 CPMBOCYXYGKFOF-LBPRGKRZSA-N 388.873 1.270 0 50 GDAA O=C1C[C@@H](C(=O)NCc2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 19818985 KNKGSZGZDGJZJP-CQSZACIVSA-N 381.436 1.502 0 50 GDAA COCC(=O)N1CCC2(CCc3c(N[C@@H]4C[C@@H]5CC[C@H]4O5)nc(C)nc32)CC1 1857702992 LKBWHVZRLQAIGO-USXIJHARSA-N 386.496 1.970 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857708689 HLTBYHGEHYADMG-ZWKOTPCHSA-N 383.448 1.517 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC4(CCc5c(O)nc(=N)[nH]c54)CC3)cnc12 1857716354 IIMIBVMJSSHYLR-UHFFFAOYSA-N 392.463 1.600 0 50 GDAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1857717121 WQACQPLJCCYXPI-CYBMUJFWSA-N 391.493 1.301 0 50 GDAA COc1ccc(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1OC 1857730168 ZMMHVCQSKOHYEA-KLHJMIIUSA-N 388.464 1.831 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2csc(-c3ncccn3)n2)CC[C@H]1O 1857735772 AWERBSIHMHONRY-KDOFPFPSSA-N 392.481 1.212 0 50 GDAA 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O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1cn(Cc2ccccc2)nn1 253415803 YNUDNCGHRYDYSX-INIZCTEOSA-N 383.383 1.254 0 50 GDAA O=C(CN1CSCC1=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 262197709 UGTMWEFUPDTZEI-NSHDSACASA-N 377.249 1.638 0 50 GDAA CN[C@H](C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cnn(C)c1 262322798 FKZZODPKTDKJRK-AWEZNQCLSA-N 383.283 1.731 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)cn1 275346854 SPFIRRVZRAXGOP-INIZCTEOSA-N 380.426 1.023 0 50 GDAA CN1Cc2ccccc2C[C@@H]1CNC(=O)CNS(=O)(=O)c1cccs1 299767012 AFMDJYQFKFKSML-OAHLLOKOSA-N 379.507 1.199 0 50 GDAA O=C(c1c[nH]nc1[C@H]1CCCN(Cc2nnsc2Cl)C1)N1CCOCC1 328603671 GVJDGWSCKIACPN-NSHDSACASA-N 396.904 1.767 0 50 GDAA CN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1c1ncc[nH]1 328619532 FZPXSZSYMMVGRJ-QGZVFWFLSA-N 386.481 1.332 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 332975965 HCUVYWUEXYHYBC-DZGCQCFKSA-N 398.529 1.312 0 50 GDAA CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CCc2nccn2C1 364986367 RNAINPUFEBJLJP-OAHLLOKOSA-N 383.452 1.891 0 50 GDAA COc1ccccc1S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 377787827 WXEAPXLXRMLVSN-UHFFFAOYSA-N 396.490 1.355 0 50 GDAA O=C(NCCCN1CCCC[C@@H]1CO)N1CCN(c2ccccc2F)CC1 426658577 VENAXEKAVRTJNZ-QGZVFWFLSA-N 378.492 1.894 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CC(c2ccncc2)C1 426722329 BQBVUUJTCKCCGT-HXUWFJFHSA-N 378.476 1.707 0 50 GDAA O=C1NC[C@@]2(CCCN(C(=O)NCc3noc(-c4cccs4)n3)CC2)O1 534660420 IGGAEEGUZSKIQO-INIZCTEOSA-N 377.426 1.972 0 50 GDAA COc1ccc(NC(=O)COC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c(OC)c1 800261593 ZEWQQNPADINVPC-QSFILUDESA-N 383.400 1.513 0 50 GDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2nncs2)C1 828084675 BMYZDERHFVFSQG-LLVKDONJSA-N 376.442 1.112 0 50 GDAA CSCC[C@H](C(=O)NCCn1cccn1)n1c(O)nc2ccccc2c1=O 888089116 IRLOGBWIASJPFV-OAHLLOKOSA-N 387.465 1.409 0 50 GDAA CN1C[C@H](O)C[C@]1(C)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 900074186 UTBMUUBFZUJAKO-YMTOWFKASA-N 391.781 1.473 0 50 GDAA O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)N1[C@H]2CC[C@H]1COC2 952852984 TVDKLAIMUQJDTJ-KBPBESRZSA-N 399.538 1.996 0 50 GDAA c1ccc(C23CN4CCN(CC(C4)[C@H]2NCc2cccc4nonc24)C3)cc1 952860714 SUCBAOCMMAHKOS-PDRFFQIWSA-N 375.476 1.880 0 50 GDAA CCN1CCC(N(CCc2ccccn2)C(=O)c2nc3ncccn3n2)CC1 1506417833 LUXCXYNADAMCJN-UHFFFAOYSA-N 379.468 1.689 0 50 GDAA Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc(-c2ccccc2O)n1 1529172333 FJUXKWHKGDOJCK-UHFFFAOYSA-N 397.479 1.138 0 50 GDAA CCOc1ccccc1S(=O)(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857717862 BWOZGKZXNQCSNC-WFXMFSGNSA-N 380.510 1.815 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C1CC1)c1cn2ccccc2n1 1857724638 LGUODSYDNGHHFC-HUUCEWRRSA-N 385.449 1.176 0 50 GDAA Cc1cc(C(F)(F)F)nn1CCNC(=O)N1CCC(O)(c2cc[nH]n2)CC1 1875276625 JSMAVQZIFDGHRI-UHFFFAOYSA-N 386.378 1.627 0 50 GDAA O=C1C[C@@H](Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc4c3=O)c2)N1 1875387412 HBRPAOBJMLURKG-GOSISDBHSA-N 398.806 1.588 0 50 GDAA Cc1[nH]c(=N)[nH]c1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356162370 ANSCEUDFYZNMHM-NJSLBKSFSA-N 375.473 1.031 0 50 GDAA Cn1cnc2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C3CCOCC3)ccc21 2356164310 OBVWBLBVZTXNKF-OALUTQOASA-N 382.464 1.815 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1Br 869431 NFCZQWKEEMCHII-UHFFFAOYSA-N 398.282 1.927 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 6681573 DOACZBWVCMZOHG-UHFFFAOYSA-N 383.470 1.758 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCN2CCCO2)CC1 14970058 JEHFKZHUUVSQFP-LJQANCHMSA-N 383.533 1.380 0 50 GDAA C[C@H]1CN(Cc2ccc3c(c2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)C[C@@H](C)O1 19953025 GAYZXFKGFVIHTB-CALCHBBNSA-N 397.475 1.964 0 50 GDAA O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sccn12 20493974 DHZULUAMLKMZLR-UHFFFAOYSA-N 384.461 1.803 0 50 GDAA NC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)C1 23312373 IYLLHPRZBUXWEV-MRXNPFEDSA-N 382.468 1.899 0 50 GDAA O=C(Cn1cnc2ccccc21)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530421 NYJKDJOSZKEFSI-UHFFFAOYSA-N 391.479 1.775 0 50 GDAA CN(C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)C(C1CC1)C1CC1 67539872 NLBQHUJFEMJMEG-GOSISDBHSA-N 377.529 1.594 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1cc(C3CC3)[nH]n1)CO2 67654810 XNNMTCLRJPEHJU-INIZCTEOSA-N 397.479 1.893 0 50 GDAA CN1CCN(C(=O)N2CCCn3nc(-c4nc5ccccc5[nH]4)cc3C2)CC1 67920235 KBMTWRDXNGFHEV-UHFFFAOYSA-N 379.468 2.000 0 50 GDAA CS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 71415575 DEYHCESEPPYSSV-GOSISDBHSA-N 393.553 1.481 0 50 GDAA CSc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 77300519 WQXUQSNDHUFRJY-JKSUJKDBSA-N 383.539 1.373 0 50 GDAA CCCCC(=O)N1CCN(C(=O)c2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 82098256 BVPYNDJBIVBATI-SJORKVTESA-N 378.494 1.635 0 50 GDAA CC(=O)N1CCCn2nc(CNc3ncccc3C(=O)N3CCCC3)cc2C1 82098756 XSMBDXWVPFGCPZ-UHFFFAOYSA-N 382.468 1.878 0 50 GDAA COCc1noc(CN2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)n1 91486431 PFGOGMCCVQHKNP-UONOGXRCSA-N 375.429 1.444 0 50 GDAA COCCCN1CCC[C@]2(CCN(C(=O)CSc3ncccn3)C2)C1=O 92002865 ZVQKOZSWYTVNJS-GOSISDBHSA-N 378.498 1.446 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1n[nH]c3c1CCCC3)C2 95362897 IYMLCVQWPXVUAS-UONOGXRCSA-N 380.514 1.104 0 50 GDAA O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1CNCCO1)CC2 95502203 NAMRROBXQLVLTG-FQEVSTJZSA-N 397.450 1.880 0 50 GDAA Cc1nc(CN2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 95512932 YOCTXJNYTLQKNG-SJORKVTESA-N 378.523 1.330 0 50 GDAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cn3cccnc3n1)CC2 95531467 LRHVGGYOQXRLKM-UHFFFAOYSA-N 379.468 1.852 0 50 GDAA CN(C)Cc1nnc(C2CCN(CCn3c(=O)oc4ccccc43)CC2)n1C 96180951 INQZYKYQPVLDEQ-UHFFFAOYSA-N 384.484 1.664 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 101280597 AYACCIVVNHUZME-RAUXBKROSA-N 381.476 1.362 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)s2)cs1 119245568 FQSDDECLKLDDIJ-VIFPVBQESA-N 378.522 1.645 0 50 GDAA COc1ccsc1S(=O)(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O 120859714 VXPGYCWVDDYIEY-NSHDSACASA-N 379.463 1.834 0 50 GDAA O=C(NCC1CCS(=O)(=O)CC1)N1CCN(Cc2cccc(Cl)c2)CC1 153380201 PFIXYBONFPUBJT-UHFFFAOYSA-N 399.944 1.992 0 50 GDAA C[C@@H]1CCCN(C(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)C1 169752531 LKBHUPJGEOHKFM-OAHLLOKOSA-N 380.448 1.914 0 50 GDAA CC1(C)COCCN1CCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 171105590 XGHISEKCDFWSQC-UHFFFAOYSA-N 375.448 1.921 0 50 GDAA C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C(=O)NCc1ccccc1 172876173 AICXONQPUVQYLN-VQIMIIECSA-N 394.475 1.755 0 50 GDAA Cn1cnnc1SCC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 187765112 QDNFMAGSWBUIIF-UHFFFAOYSA-N 393.420 1.126 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)CN1C/C=C/c1ccco1 208906385 OPEUNTKAFHSRSZ-ZZJJIUHASA-N 392.463 1.954 0 50 GDAA C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NCCCN1CCCCC1)C2=O 241326103 LZGWYDGPCIKSAB-CWPLJXCYSA-N 378.517 1.725 0 50 GDAA COCc1nnc(NC(=O)C[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)s1 252539130 NTCGNKMWPBJMNU-LLVKDONJSA-N 393.400 1.477 0 50 GDAA CCOc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)ccc1OCC(=O)O 262445652 VJMCEYPMFBGBHB-UHFFFAOYSA-N 390.436 1.776 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CCO1 262979083 MTKVUNBBXVPDGN-CYBMUJFWSA-N 386.326 1.758 0 50 GDAA COCCn1c(Cn2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)nc2ccccc21 263588635 WLJIFFGNZMZHGE-UHFFFAOYSA-N 381.392 1.507 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)s1 285000722 IBKVUKHXNBXJRU-UHFFFAOYSA-N 380.451 1.069 0 50 GDAA Cc1cccc(N(CC(=O)N[C@H](C)Cn2nc(C)cc2C)S(C)(=O)=O)c1 299802968 SXRVZWSRPMPBTB-OAHLLOKOSA-N 378.498 1.779 0 50 GDAA CCN(C1CCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)CC1)S(C)(=O)=O 328595556 YBGDARUBGDEITC-RMKNXTFCSA-N 380.466 1.671 0 50 GDAA C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 331522633 QEMIANSYIQTWNR-OWCLPIDISA-N 396.557 1.645 0 50 GDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 334160363 CALAZEPQFWTIHL-WFASDCNBSA-N 381.388 1.083 0 50 GDAA CCO[C@H]1C[C@@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C12CCOCC2 366113809 CHOOAPMJPNCNOF-SJORKVTESA-N 383.533 1.713 0 50 GDAA COc1ccc(Nc2cc(N3CC[C@@H]4OCC(=O)N[C@@H]4C3)ncn2)c(OC)c1 373764257 BXCJACUNFHPJGI-CABCVRRESA-N 385.424 1.331 0 50 GDAA C[C@@H](CCn1cccn1)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 426628170 GSLYGNHMOAPQJF-INIZCTEOSA-N 376.505 1.177 0 50 GDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)o1 584893129 RIIRXRHDWYSSRW-GOSISDBHSA-N 378.429 1.498 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)NCCCCCN1CCOCC1 670451553 WFRXBMRLAOJSEF-UHFFFAOYSA-N 382.486 1.620 0 50 GDAA CCOC(=O)C1(CNC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CCCC1 822396832 NSLDUCHRPRZHGG-QWRGUYRKSA-N 385.404 1.449 0 50 GDAA Cn1ncnc1CN1CCC[C@@]2(CC(=O)NN2C(=O)c2cc(F)ccc2F)C1 888103481 JQVBYTBANOQOAB-GOSISDBHSA-N 390.394 1.005 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 952966790 XBVWTNYJRJRCSN-INIZCTEOSA-N 395.525 1.217 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCc2nc3cc(OC)ccc3o2)cc1 1506417578 JWQGWXICEAGHAA-UHFFFAOYSA-N 375.406 1.675 0 50 GDAA CN1CCN(c2ccc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)cc2)CC1 1529092694 XCSLYKWILWGPKJ-CTNGQTDRSA-N 380.492 1.509 0 50 GDAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@H]1O 1704338037 JPFVKHPDNVVXTO-LSDHHAIUSA-N 375.874 1.396 0 50 GDAA O=C(O)c1ccc(N2CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)cc1 1704340169 PBLGLXPRSVZHIG-KRWDZBQOSA-N 383.452 1.463 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3COCC4)C1)CC2 1704344341 LDEGGPKPDRDVQY-HXUWFJFHSA-N 382.468 1.459 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3c(c2)CCCC3)ncn1 1857532895 DHUGJOXIULNJPV-QZTJIDSGSA-N 381.480 1.767 0 50 GDAA CCOCCNC(=O)Cn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@@H](C)N 1857686420 VZHWTLCVZKIRKD-CYBMUJFWSA-N 391.472 1.059 0 50 GDAA COCC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(C(C)C)[nH]c(=N)n3)CCC[C@H]2C1 1857696609 IXPIWDWIDYMJQP-MJBXVCDLSA-N 375.473 1.016 0 50 GDAA CC(C)CCN1CCOC2(CCN(C(=O)CN3CCOC3=O)CC2)CC1=O 1857698855 LNMPLJPYMYXXTC-UHFFFAOYSA-N 381.473 1.095 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3F)C2)no1 1857700417 HIEFIURRCIRNDU-NEPJUHHUSA-N 385.392 1.891 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCn3ccccc3=O)C1)CC2 1857703575 NEAXLFJEJMKFNC-OAQYLSRUSA-N 397.479 1.307 0 50 GDAA CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(S(C)(=O)=O)C[C@]23CC[C@H]1O3 1857721306 JGQFOEGGDMCPGZ-DODZYUBVSA-N 378.494 1.418 0 50 GDAA COc1ccc(F)cc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857732809 IANUBNDPRFKKJY-ROUUACIJSA-N 376.432 1.712 0 50 GDAA CC(C)=CCN1CCc2nc(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)cn2CC1 1875241744 ZUJSTNJTPITTFZ-MRXNPFEDSA-N 383.500 1.845 0 50 GDAA O=C(c1ccncc1)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)CC1 1875244954 CRJXZJSKLZQOHH-UYAOXDASSA-N 394.475 1.391 0 50 GDAA CN1CCN([C@H]2CCN(c3nc4[nH]cnc4c(=Nc4ccccc4)[nH]3)C2)CC1 1875269712 HRGZBQWZQFUJRM-INIZCTEOSA-N 378.484 1.345 0 50 GDAA CCc1cccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)n1 1875278868 QRADWVUMVDLFBR-AAEUAGOBSA-N 379.404 1.538 0 50 GDAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCNS(=O)(=O)CC1 1875299497 MZNRPHXIPCCJSY-UHFFFAOYSA-N 396.900 1.447 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC12CCCC2 1875323563 MAXMOLCWEHTUKT-LBPRGKRZSA-N 394.859 1.684 0 50 GDAA Cn1cc(C(=O)N2CCC[C@@H](n3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1 1875326182 DEFFDBAOQBDTSA-OAHLLOKOSA-N 395.423 1.639 0 50 GDAA COc1ccc2ncccc2c1C(=O)N[C@@H]1CCOC12CCS(=O)(=O)CC2 1875326518 KABWOTSAESPIIH-MRXNPFEDSA-N 390.461 1.710 0 50 GDAA Cc1cc(Br)cnc1C(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875401167 RYUYNUUTINEHAP-MRVWCRGKSA-N 379.258 1.919 0 50 GDAA Cc1nn(C)c(N2CCN(C)CC2)c1CN=c1ccnc(-c2ccccc2)[nH]1 2325807390 WQFOSWXOAIHUHB-UHFFFAOYSA-N 377.496 1.971 0 50 GDAA CC1(C)C[C@H](S(N)(=O)=O)CN1C(=O)c1ccc(N2CCCCCC2)nc1 2325810974 UJXBXEDWTUTPMM-HNNXBMFYSA-N 380.514 1.744 0 50 GDAA O=C(Cn1cc(CCO)nn1)N1CC=C(c2c[nH]c3cc(F)c(F)cc23)CC1 2325869542 SJJQXTVVKPKDNN-UHFFFAOYSA-N 387.390 1.888 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)N4CCCCCC4)cc3C2=O)C(=O)N1 2325886966 PDBVBHQSRXHIMP-QGZVFWFLSA-N 398.463 1.533 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c1 8266566 IDLHHQGLXKVQHN-UHFFFAOYSA-N 396.490 1.912 0 50 GDAA O=C(COc1ccc(Cl)cc1)NCCn1cc(C(=O)N2CCCC2)nn1 11967475 HGSNWIMCUPZEMJ-UHFFFAOYSA-N 377.832 1.363 0 50 GDAA COc1ccc(C(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14530680 IRJCCOFNLMPLLH-RTBURBONSA-N 393.443 1.089 0 50 GDAA biogenic O=C1C[C@H](C(=O)NC[C@@H]2CCCO2)Cc2nc(NC(=O)C3CCC3)sc21 20326869 VBRPHTDIOLHEMQ-NEPJUHHUSA-N 377.466 1.922 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cc(S(N)(=O)=O)c1C 47341103 ZWKARZLXKCUXOW-CQSZACIVSA-N 376.434 1.521 0 50 GDAA O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nnc(C2CC2)s1 65421043 DCRHIVJPHICVQT-ZDUSSCGKSA-N 379.486 1.067 0 50 GDAA CC(=O)N1CCn2nc(C(=O)N(C)Cc3cc(-c4cccs4)n[nH]3)cc2C1 67604807 AICJTCFUAAVHED-UHFFFAOYSA-N 384.465 1.969 0 50 GDAA CCN1CCN(C[C@]2(O)CCCN(Cc3cccc(OC)c3OC)C2=O)CC1 67755960 BDOJPUCKZKFQPU-OAQYLSRUSA-N 391.512 1.195 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCC(C)CC4)cc3)nn2)CN1 67850834 NDDBCGJJQAFMIK-OALUTQOASA-N 382.512 1.826 0 50 GDAA NC[C@@H]1CCN(c2ccc(C(=O)N3CCC(CN4CCCC4=O)CC3)cn2)C1 67895882 XSZUBJRWTBASET-KRWDZBQOSA-N 385.512 1.341 0 50 GDAA O=C(CCn1cncn1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67935091 CEHQJUFOMRGVFW-UHFFFAOYSA-N 381.440 1.008 0 50 GDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 71753183 RTPFWPIFKVGDED-ZDUSSCGKSA-N 379.844 1.440 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCc1cscn1)CO2 71771510 NFVAXCDHNOHPGR-HNNXBMFYSA-N 388.493 1.791 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3CCC4(CC3)CC(=O)N(C)C4)n2)c1 77424986 JSAFKQXVXRRUPQ-UHFFFAOYSA-N 381.484 1.950 0 50 GDAA Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)c(=O)[nH]1 95382897 ROUIBCUYAJBJCL-MAUKXSAKSA-N 378.476 1.782 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2C)CN1C1CCOCC1 95503112 SNNCSQAHEDVOMC-PBHICJAKSA-N 375.469 1.101 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2N)cc1 95504977 ZYGOTHNOWRYYTG-MBDNFAEBSA-N 399.535 1.689 0 50 GDAA O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1CCCN1C(=O)Cc1ccccc1 151823552 KUQYTJCXOVJZCS-KRWDZBQOSA-N 376.420 1.835 0 50 GDAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)nc2ccccn12 157063329 TZVPFGYVPWLLBD-SNVBAGLBSA-N 380.861 1.955 0 50 GDAA COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H]3CO)ncn1)C[C@H]2O 169983605 FQZBALRCYZECSB-UKRRQHHQSA-N 386.452 1.509 0 50 GDAA COCc1cccc(S(=O)(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1 179260913 YANNZNUSENINPQ-CQSZACIVSA-N 387.461 1.910 0 50 GDAA O=c1oc2cccnc2n1CCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 183745697 PJELHQJRUXNBTM-OAHLLOKOSA-N 394.497 1.316 0 50 GDAA CN1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)CC1 200560254 IEACZEGDGAYEES-QFIPXVFZSA-N 383.540 1.835 0 50 GDAA CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)[C@H]1n1cccn1 263434394 ZLNCRQIEDAOUFF-UJPOAAIJSA-N 390.362 1.506 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1=O 275275303 JQAYPUHVNCPZSW-ZDUSSCGKSA-N 388.453 1.253 0 50 GDAA O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CCc2ccnc(O)c2C1 277164562 XUMFQUIILSUODH-GFCCVEGCSA-N 388.374 1.939 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2ncnc3c2CCCC3)[C@@H]1c1cnn(C)c1C 328611222 KSMSARYUGKBRTR-MGPUTAFESA-N 398.511 2.045 0 50 GDAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cnc(C(C)C)[nH]3)C2=O)n(C)n1 328614639 WMDSKZKACDVURW-LBPRGKRZSA-N 380.474 1.049 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccc3cc(C)cnc23)n1 328615023 APSKTOSESWSHOA-UONOGXRCSA-N 388.449 1.985 0 50 GDAA Cc1cc(C)n(CCCNC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 363598775 DCHZXQRWNXADAT-QGZVFWFLSA-N 377.489 1.313 0 50 GDAA COc1cc(/C=C/C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc2c1OCCO2 367642922 JWEXUOZFDHBNKY-SWJNODNISA-N 375.421 1.886 0 50 GDAA Cn1cc(S(=O)(=O)NCC(=O)N2CCCn3c(cc4ccccc43)C2)cn1 377146493 LAXQLZYKDNBRMS-UHFFFAOYSA-N 387.465 1.086 0 50 GDAA O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC([C@H]2CCOC2)C1 377413356 QYTTYOYBCSIYKI-NSHDSACASA-N 392.399 1.479 0 50 GDAA C[C@@H]1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC[C@@H]1N1CCN(C)CC1 378318223 PTOFVTGMWNCOKM-NQIIRXRSSA-N 398.551 1.907 0 50 GDAA Cc1ccc(CN(CCCO)C(=O)NC(C)(C)CN2CCN(C)CC2)s1 426428761 KEFPMLZTEXODRF-UHFFFAOYSA-N 382.574 1.977 0 50 GDAA O=C(O)COCCOCCOCCOCCNC(=O)OCc1ccccc1 575623938 CSUBNGPYLDOHIP-UHFFFAOYSA-N 385.413 1.064 0 50 GDAA Cc1c(S(=O)(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cnn1C 825656297 SGIOFMCFOLFJBH-KRWDZBQOSA-N 379.482 1.977 0 50 GDAA O=C(c1cnccn1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(CC2CCC2)CC1 888103684 SXRIOMHLMQWGES-RBUKOAKNSA-N 398.511 1.349 0 50 GDAA O=C(c1cccn2c(O)nnc12)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 1342758569 QBCZDCQAYLPHBS-UONOGXRCSA-N 379.420 1.557 0 50 GDAA CN(C)CC(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1472240759 PEDHJNBQSQBWLV-QGZVFWFLSA-N 384.318 1.362 0 50 GDAA CC(=O)N1CCC(C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1 1615734548 XXUUXUJUCUNUJN-RXVVDRJESA-N 381.476 1.855 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@]4(CCc5cnc(C)nc54)C3)c(=O)n2n1 1704324729 DWIIYVVHVDXXEQ-FQEVSTJZSA-N 378.436 1.550 0 50 GDAA CCN1C[C@H](NC(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1=O 1704330836 HDWRJKNGPOHNKN-GFCCVEGCSA-N 390.415 1.906 0 50 GDAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC2(CC1)C[C@](O)(CO)CCO2 1704344847 PFWNWIFREPJFQL-IBGZPJMESA-N 390.411 1.588 0 50 GDAA CCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@]2(CN(C)C)C1 1772806965 MSUFWRWPYMAYTP-QFBILLFUSA-N 397.516 1.501 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N(C)[C@H](C)CC(N)=O)cc12 1857686991 MBXJMNNSSSPPPN-GFCCVEGCSA-N 393.509 1.494 0 50 GDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1Cc1cnc[nH]1 1857708902 SVTOLAFMVLMYCJ-ZWKOTPCHSA-N 397.479 1.380 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCCn3ccnc3C(C)C)CC2=O)s1 1857717643 QWMHCQLNZZAXHR-ZDUSSCGKSA-N 390.513 1.980 0 50 GDAA CSCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857726493 UMUMYAMHHHWGSG-CYBMUJFWSA-N 397.570 1.522 0 50 GDAA CCCN1CC2(CCN(C(=O)CCn3ccnc3CC)CC2)OCCC1=O 1857728300 WETUMSIRQVHJPZ-UHFFFAOYSA-N 376.501 1.856 0 50 GDAA Cc1nc[nH]c1CN1CCC(C2CCN(C(=O)CCn3cnnc3)CC2)CC1 1857728366 YQRADEFAVLJIMK-UHFFFAOYSA-N 385.516 1.851 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)c2)on1 1875243516 KBTCDMIUQRGOBI-CABCVRRESA-N 391.449 1.094 0 50 GDAA COC(=O)CN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(C(C)=O)C1 1875246013 XFZJNGYJJHMCFS-NRFANRHFSA-N 395.463 1.372 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@@H]3CN(C(=O)c4cccc(C(N)=O)c4)C[C@@H]3C2)on1 1875304940 ACRNYBSNOYWDKM-IYBDPMFKSA-N 396.447 1.741 0 50 GDAA O=C(Cc1nc[nH]n1)N1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC(F)(F)C3)C2)C1 1875322211 LZQQLQCEJRHGQU-LSDHHAIUSA-N 395.454 1.870 0 50 GDAA O=CN[C@H](Cc1ccsc1)C(=O)N1CCC2(CC1)NC(=O)Cc1ccccc12 1875322233 MUYFBJGUXMCOMR-GOSISDBHSA-N 397.500 1.595 0 50 GDAA CCCC[C@H](CNC(=O)CN1CSCC1=O)NC(=O)c1cc(C)c(C)o1 1875347013 HPALNBAOPRCWLY-CQSZACIVSA-N 381.498 1.834 0 50 GDAA COCCc1ccc(OC)c(S(=O)(=O)N2CC3CC2(c2nnc(C)o2)C3)c1 1875393667 JWSZAXVPKVJBJC-UHFFFAOYSA-N 393.465 1.885 0 50 GDAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)CNC(=O)NC2CCCCC2)C1 1875395541 DHJBVNGYEMRYFU-DWXRJYCRSA-N 384.546 1.871 0 50 GDAA COc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C2CC2)[C@@H]1c1nnc(O)n1C 1875397952 VEKFPMYWPPNQGV-IUODEOHRSA-N 396.444 1.830 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC[C@H](C(=O)O)[C@H](O)C3)c2)o1 2100540117 DSUQBQVSNRKNAD-UONOGXRCSA-N 380.422 1.415 0 50 GDAA Cn1cncc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100557161 XOJZVAFOOYWYGM-UHFFFAOYSA-N 384.484 1.232 0 50 GDAA CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cn1 2325786610 HINYRVNQJQPCCA-QWHCGFSZSA-N 379.486 1.247 0 50 GDAA C[C@@H](Cc1nn[nH]n1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325876409 UMBHGUDOJNKWOT-KBXCAEBGSA-N 390.447 1.514 0 50 GDAA Cn1c(=O)cc(C(=O)N2CCC[C@@]23CCCN(CCO)C3=O)c2ccccc21 2356146813 WQWREINLENEIHM-OAQYLSRUSA-N 383.448 1.128 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4320435 CENXCJHCGKRXDR-JKSUJKDBSA-N 396.465 1.537 0 50 GDAA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H](O)CO)cc1 4521247 NISVZEWKUNUGQQ-HDICACEKSA-N 376.449 1.477 0 50 GDAA biogenic,in-vitro O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NCCO)c2ccccc12 5014811 QLONTEZNQWUAHZ-UHFFFAOYSA-N 396.424 1.911 0 50 GDAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1 12199454 ZDKXADDXBYRIAR-GOSISDBHSA-N 389.496 1.620 0 50 GDAA c1ccc(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)nc1 12573179 XVXLUKNKBODUOV-UHFFFAOYSA-N 384.469 1.288 0 50 GDAA CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 12647866 TZIJWDPUJGVRKS-UHFFFAOYSA-N 383.452 1.383 0 50 GDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3Cl)CN2C1=O 14749523 AMLLSELYDDFPHN-XDTLVQLUSA-N 384.263 1.991 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCn1ccc2ccccc21 15071775 REWHTWVXXXOYOG-IBGZPJMESA-N 380.448 1.741 0 50 GDAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1O 19799602 VZNYEYFGRWFMCT-UHFFFAOYSA-N 397.888 1.737 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 20138170 VSXFOQGWDMFWIP-INIZCTEOSA-N 395.525 1.633 0 50 GDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C 33965935 HLIAVLHNDJUHFG-HOTGVXAUSA-N 378.469 1.756 0 50 GDAA endogenous,in-man O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1ccncc1 59826110 JKSBIRZXOSLJQT-PDGUBNMISA-N 378.476 1.644 0 50 GDAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn2)n1 65363102 UNRWZLWVRRBHTK-UHFFFAOYSA-N 399.480 1.185 0 50 GDAA O=C(CN1CCCN(C(=O)[C@H]2CCCO2)CC1)NCCc1ccc(F)cc1 65469576 BCRTZLQSYSBEOB-GOSISDBHSA-N 377.460 1.198 0 50 GDAA O=C(C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1)c1cccnc1 65501509 RRUIOADOOAAVPE-UHFFFAOYSA-N 375.388 1.756 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)[C@H](c3ccccc3)n3cnnn3)CC2)nc1 67770302 IZBBMPIPWCRYTR-SFHVURJKSA-N 378.436 1.476 0 50 GDAA O=C([C@H]1CCCN(C2CCN(c3noc(C4CC4)n3)CC2)C1)N1CCOCC1 71747748 WMGKITNQZXKGRM-INIZCTEOSA-N 389.500 1.487 0 50 GDAA Cc1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N(C)C)n1 71753713 RBZXRVXCPGUHAR-INIZCTEOSA-N 386.544 1.810 0 50 GDAA CCC(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72472911 UDUYZHLYCVYRRZ-ZWKOTPCHSA-N 388.493 1.092 0 50 GDAA CCCN1CCN(C(=O)c2cc(OC)ccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 77353553 GMMLAENAAGSJHS-CVEARBPZSA-N 382.482 1.037 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91643616 XJWCXUDDBYWPBA-UHFFFAOYSA-N 397.483 1.198 0 50 GDAA Cc1nccn1[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 91724873 YTJJGTJXRDQWHA-MRXNPFEDSA-N 375.517 1.545 0 50 GDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 91931090 CUAYXQZDNXLMRU-UHFFFAOYSA-N 381.440 1.278 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3COc4ccccc4C3)cc2C1 92001617 WNLKTPQTPISAOK-MRXNPFEDSA-N 397.479 1.638 0 50 GDAA CN1CCC(N2CCC(Oc3cccc(C(=O)NCCC(N)=O)c3)CC2)CC1 95497847 UJPGAICMKAJDNZ-UHFFFAOYSA-N 388.512 1.229 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1cn(-c3ccccc3)nn1)CCN2C 95499165 DBPJXRLVZZQKKN-HXUWFJFHSA-N 382.468 1.036 0 50 GDAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1nc[nH]n1 95521671 QTPXRXOAYAOMCO-MRXNPFEDSA-N 388.491 1.860 0 50 GDAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)NCCNS(C)(=O)=O 95529453 FWXQTZWLPFXSTK-UHFFFAOYSA-N 383.499 1.848 0 50 GDAA Cc1nn(C)c2nc(N3CCc4nnc(Cc5cccnc5)n4CC3)sc12 96161722 ZUSQRHDFCPBDSV-UHFFFAOYSA-N 380.481 1.978 0 50 GDAA Cn1nc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1=O 114425519 QKRZNVYZNANNLV-AWEZNQCLSA-N 380.370 1.803 0 50 GDAA CCOc1ccc([C@H]2NC(=O)N(CC(=O)N3CCCC3)C3=C2C(=O)OC3)cc1 169760792 DLKMWWRDZZRDAN-GOSISDBHSA-N 385.420 1.585 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN[C@H]3CC[C@H](O)CC3)C2=O)c1OC 244695590 JPEJFIJALAGFHH-CBGDNZLLSA-N 392.496 1.450 0 50 GDAA CC(C)Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)on1 247923955 DDMVRRIWWRJMQQ-HIFRSBDPSA-N 384.502 1.216 0 50 GDAA COC(=O)CN(CN1C(=O)N[C@]2(C1=O)[C@@H](C)CCC[C@H]2C)CC(F)(F)F 248780972 WVKYGNLRJIPGSU-CDMJZVDBSA-N 379.379 1.728 0 50 GDAA Cc1c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cnn1C 292548137 JYAIXZQZEPIWMQ-OAHLLOKOSA-N 398.435 1.476 0 50 GDAA Cc1ccccc1CC(=O)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328602544 CACPUFQAKWOCOL-QUCCMNQESA-N 396.491 1.529 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)C1 328712740 BTCVQFHJEYVLKI-PVAVHDDUSA-N 394.541 1.719 0 50 GDAA COc1cccc2c1OC[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)C2 367719644 HNGCXYHWWWMCRH-HNNXBMFYSA-N 382.482 1.034 0 50 GDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccncc1OCCN(C)C 370672634 GOZBBODFVWQTJP-FQEVSTJZSA-N 396.491 1.612 0 50 GDAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 372027733 HBMHRKGUGRWOIG-VIFPVBQESA-N 375.454 1.825 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCN([C@H]2CCOC2)CC1 378114256 KEHPKEVRCOGLTK-JKSUJKDBSA-N 377.510 1.676 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ncon2)CC1 426510121 KRDLSNGRIJMDDA-GOSISDBHSA-N 397.479 1.475 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)NCc3nc(C(C)C)no3)C2)CCC1=O 426526027 IWNNZFTVRMFSJT-LJQANCHMSA-N 393.488 1.754 0 50 GDAA O=C(NCCCc1ccccc1F)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 670435444 ABEMWPCBSWWFHY-KRWDZBQOSA-N 382.501 1.774 0 50 GDAA O=C(CN1CCOCC1)NC[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 827836778 FKWYOFPBNWRKKT-ZDUSSCGKSA-N 387.406 1.160 0 50 GDAA O=C(Cc1ccc(OCc2ccccn2)cc1)NC[C@H](O)CN1CCCC1=O 1320076126 JPRXOUWAVCMIDW-SFHVURJKSA-N 383.448 1.303 0 50 GDAA CN(C)c1nc2c(c(-c3ccc(C(=O)N[C@H]4CNC[C@@H]4O)cc3)n1)CCCC2 1565507110 ACMOXMIDXJBXRS-ROUUACIJSA-N 381.480 1.151 0 50 GDAA CC(=O)c1ccc(C(=O)N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)s1 1565508432 ODEZTTVMGGWDCF-OLZOCXBDSA-N 387.527 1.443 0 50 GDAA O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1CC(N2CCOCC2)C1 1772806758 DGSASRSOLKIHJB-OAHLLOKOSA-N 384.505 1.853 0 50 GDAA Cc1[nH]c(=N)sc1C(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857732694 BDNHXICRDPWBKE-KSSFIOAISA-N 379.457 1.431 0 50 GDAA CO[C@@H]1CN(c2ccnc(NCc3nn(C)c4ccccc34)n2)C[C@@H]1N(C)C 1875398352 MHHKREDZENIFDW-ZWKOTPCHSA-N 381.484 1.741 0 50 GDAA COc1ccc2c(c1)OCCN2C(=O)c1nc(C)c(C)c(N2CC[C@@H](N)C2)n1 1875400639 HKJPLBCOTPINAV-CQSZACIVSA-N 383.452 1.679 0 50 GDAA CN=c1ccc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)c[nH]1 1875402813 MBKKJEFPGFYGKQ-KFKAGJAMSA-N 391.475 1.978 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3c[nH]nc3C)OCC(=O)N2C2CC2)cc1 2100473618 MUPUETMPRIKHEL-UXHICEINSA-N 398.463 1.816 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3cccnc3-n3cncn3)cn12 2100473780 ZDVXUHRHLCHCGS-INIZCTEOSA-N 392.423 1.324 0 50 GDAA NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Br)nc1O 2325742491 SUVPKOJGNRSIMK-LLVKDONJSA-N 379.214 1.768 0 50 GDAA O=C(NC[C@]1(O)COC2CC1C2)Nc1cccc(C(=O)N2CCSCC2)c1 2325810409 JELHKNLRKSDHBD-KJXMEXGPSA-N 391.493 1.537 0 50 GDAA NC(=O)c1ccc(CC(=O)N[C@H]2COc3ccc(Br)cc3C2)cn1 2325824303 XRWPZHPAYHNZPW-CYBMUJFWSA-N 390.237 1.605 0 50 GDAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)CCNS(C)(=O)=O)C2=O)cc1 2356152154 CHXIYEHTQBDBBQ-LJQANCHMSA-N 393.509 1.422 0 50 GDAA CCn1cnc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)c1 2356164006 AIUBCDLCVMGECB-UXHICEINSA-N 398.463 1.659 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1 783977 SDTIWBLBVYENNT-UHFFFAOYSA-N 389.477 1.807 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(S(=O)(=O)N2CCOCC2)CC1 2356158482 LXMYFBBBSHKMAY-UHFFFAOYSA-N 382.482 1.136 0 50 GDAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCNC[C@@H]1NC2=O 2356162456 KLFMRZAMNUDJGQ-OALUTQOASA-N 395.459 1.543 0 50 GDAA CN1CCC[C@@]2(CCCN2Cc2ccc(OCCN3CCOCC3)cc2)C1=O 2356167905 IEJKYBSOOXOSRN-JOCHJYFZSA-N 387.524 1.984 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccccc1 4841094 GBVAEUNWACHQPA-UHFFFAOYSA-N 388.489 1.988 0 50 GDAA COC(=O)CCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55369618 DAGKPCLFKTXHPA-SFHVURJKSA-N 377.460 1.892 0 50 GDAA NC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 54172788 BMDOOMSLVKQVCL-UHFFFAOYSA-N 398.429 1.551 0 50 GDAA CCn1c([C@H]2CCCN(c3ccc(Cl)nn3)C2)nn(CCN(C)C)c1=O 67725815 RSBYMZUBVJSWBO-ZDUSSCGKSA-N 379.896 1.454 0 50 GDAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 20453885 BHXUYAPUDATAKC-SFHVURJKSA-N 380.533 1.197 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(Br)c3nsnc23)CC1 35930470 JKRBQDFLKDTBSO-UHFFFAOYSA-N 377.289 1.390 0 50 GDAA CC(C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccnn1C 252482357 DDSMTTDFYVATKE-LBPRGKRZSA-N 384.889 1.891 0 50 GDAA CS(=O)(=O)N1CCO[C@@H](c2nnc([C@H]3SCCc4ccccc43)o2)C1 328629833 IROWLPDXEKNXDB-KGLIPLIRSA-N 381.479 1.781 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc3c(c2)N=C(O)CO3)C[C@@H]1c1ncc[nH]1 328616663 BZALZGUYAMPDHK-CQSZACIVSA-N 391.453 1.458 0 50 GDAA CC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 72442156 WBBSVVIMPYZETQ-KRWDZBQOSA-N 388.578 1.276 0 50 GDAA CN(CC(=O)O)C1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 328624869 CRUKQXSARBKPEK-UHFFFAOYSA-N 381.860 1.546 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 328609619 FFUJBYZKBBRHPD-AWEZNQCLSA-N 391.453 1.123 0 50 GDAA COC(=O)CN(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 39455366 ABAUOCKEFQSIOD-UHFFFAOYSA-N 393.509 1.913 0 50 GDAA O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72117221 FMSBRAXBCTYGSJ-UHFFFAOYSA-N 387.871 1.929 0 50 GDAA CC(C)(C)n1ccnc1SCC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 333009734 RNRCHMKNZIUVEW-XJKCOSOUSA-N 380.514 1.673 0 50 GDAA O=C(Nc1ccc(N2CCOCC2)cn1)N1CCN(C[C@@H]2CCOC2)CC1 446182254 FDDHYLQWXUNHMQ-INIZCTEOSA-N 375.473 1.104 0 50 GDAA Cn1ccnc1CN1CCC[C@](O)(CNS(=O)(=O)c2cccs2)CC1 72158010 FQXIESUOJAFVHY-MRXNPFEDSA-N 384.527 1.177 0 50 GDAA CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 283355313 BPUVQJDEMMDXQL-HNNXBMFYSA-N 379.482 1.057 0 50 GDAA CCOc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1OCc1cccnc1 262938944 ZGEGUPLCYDIVFD-SFHVURJKSA-N 386.404 1.985 0 50 GDAA CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 173647162 JHCMKYKOOSDZNT-ZWKOTPCHSA-N 386.496 1.793 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@H]1CCOC2(CCOCC2)C1 82127143 QSKNSVQUJIPWLV-ZDUSSCGKSA-N 381.454 1.846 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2ccccc2-n2cncn2)CC1=O 426643069 WDDAAKSOMSJKEJ-UHFFFAOYSA-N 377.404 1.765 0 50 GDAA CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cnc[nH]c1=O 82096435 AMEJNJMALNMIGL-AWEZNQCLSA-N 384.436 1.826 0 50 GDAA Cc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)sc2nc[nH]c(=O)c12 91966567 NTUYXDVFTJGNBJ-CHWSQXEVSA-N 376.482 1.069 0 50 GDAA Cc1nc(CCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)sc1C 91746762 SNSXAYTXMUHVLO-CVEARBPZSA-N 378.542 1.657 0 50 GDAA Cc1cc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)nc(N)n1 95528462 ZDHVBNUWGQJRGL-INIZCTEOSA-N 384.484 1.521 0 50 GDAA O=C(c1cccc(-c2cncc(=O)[nH]2)c1)N1CCC(Oc2ncccn2)CC1 534657483 UEMGNKWQCZJRTB-UHFFFAOYSA-N 377.404 1.911 0 50 GDAA CCn1cc(C(=O)NCCn2c(C)cc(C)nc2=O)c(=O)c2ccc(C)nc21 823583967 AILSZMINUSTGHI-UHFFFAOYSA-N 381.436 1.328 0 50 GDAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc3nccn3n2)CC1 670473076 IFCFYZNDHJRILC-INIZCTEOSA-N 376.464 1.829 0 50 GDAA CN(Cc1cccc2[nH]ccc12)c1ncnc2c1ncn2CC(C)(CO)CO 1875269235 OPNQJYRKIPVQMZ-UHFFFAOYSA-N 380.452 1.935 0 50 GDAA COCCCOc1ccc(C(=O)NCCNc2cc(C)nc3ncnn23)cn1 1875262272 CMSUVXFPKGHQIA-UHFFFAOYSA-N 385.428 1.085 0 50 GDAA CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)N=c1nnn(C)[nH]1)Cc1ccccc1 1875339576 OWXUMKJMEDZQME-CQSZACIVSA-N 389.460 1.232 0 50 GDAA NS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@H]2[C@H]2CCOC2)c1 1875392262 PYVGAESQGWIMSV-ZANVPECISA-N 389.271 1.348 0 50 GDAA C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cn(C2(C(N)=O)CC2)nn1 1875358364 SXNWBYYQQJUEBN-ZDUSSCGKSA-N 393.451 1.068 0 50 GDAA COc1cc(NC(=O)c2ccccc2N2CCOCC2)cc(-n2cnnn2)c1 952965490 RCPOKKIZWDIEOA-UHFFFAOYSA-N 380.408 1.760 0 50 GDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 1565512757 GZYLSKRGMDOMSB-ROUUACIJSA-N 376.453 1.612 0 50 GDAA Cn1cccc1-c1cc(C(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)n[nH]1 1565526466 NIKUZBIONNWCMC-KXBFYZLASA-N 380.452 1.175 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@@]2(CCOC2)O1 408326704 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CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 1857672499 FLWFPLGWQIQAIY-XZOAIXRZSA-N 382.482 1.369 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccccc1N1CCC(=O)NC1=O)C2 1857676237 MAIBFLUCYRWHLT-LJQANCHMSA-N 386.408 1.190 0 50 GDAA COc1cnc(C)cc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1857679946 BREKIWTZOMQQCI-QKTWPWEVSA-N 392.503 1.696 0 50 GDAA Cc1cccc(-n2nc(CC(N)=O)nc2-c2ccc(N3CCOCC3)nc2)c1C 1857681044 WAQJRHNGUUENSB-UHFFFAOYSA-N 392.463 1.811 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cn(C)nc3C)CC(=O)N2[C@H]1c1ccccc1 1857726391 OPEWWSILUYHMSZ-BXWFABGCSA-N 396.447 1.316 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O)c1c[nH]c2ccccc12 1875244151 ASCZDBFBUGQZIK-JVPBZIDWSA-N 395.463 1.440 0 50 GDAA CC1(C)C(=O)NCCN1Cc1ccccc1OC[C@H](O)CN1CCSCC1 12835059 NQHIDOLTLGXGQE-QGZVFWFLSA-N 393.553 1.186 0 50 GDAA COc1cc(C)c(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc1C 247910153 JXUGBGISJFJENK-YJBOKZPZSA-N 382.482 1.090 0 50 GDAA COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](C)CC(=O)O)C(C)C)c1 262120338 GPGVROPBGJKRCX-PXAZEXFGSA-N 380.441 1.685 0 50 GDAA C[C@H](NS(C)(=O)=O)C(=O)Nc1nc2ccccc2n1CCc1ccccn1 267102535 KZGSNPZQZRJNJZ-ZDUSSCGKSA-N 387.465 1.550 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1Cl 1704344475 OIJASUMGXBIQFD-XVKPBYJWSA-N 384.237 1.458 0 50 GDAA CCOC(=O)COc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1 917243 JQAZXOVQDKRDDR-UHFFFAOYSA-N 381.392 1.921 0 50 GDAA CCC(=O)NCc1ccnc(CNC(=O)[C@@H]2COc3c(cccc3OC)C2)c1 2100556170 GXYCUUHUBLEGJO-INIZCTEOSA-N 383.448 1.984 0 50 GDAA CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)[C@H]1c1cccs1 2325754464 MQPCCCVXKHVIMC-SUNKGSAMSA-N 376.438 1.762 0 50 GDAA CN(C)Cc1cnn2c1CN(C(=O)c1ccc(=O)n(-c3ccc(F)cc3)c1)CC2 2325759883 LJBDLDFJXVYVSQ-UHFFFAOYSA-N 395.438 1.891 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC(C3CCOCC3)CC2)ncn1 2325785639 HBXZPCGUUZQFGO-RTBURBONSA-N 389.544 1.621 0 50 GDAA Cc1cc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)ccc1N1CCOCC1 2325786144 FYHMIQYGAXXHCD-ILZDJORESA-N 384.480 1.598 0 50 GDAA C[C@@H]1O[C@H](C)[C@H](C(=O)NS(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)[C@@H]1C 2325798720 SQTBQBOLGKGDCZ-AZKPJATDSA-N 381.429 1.876 0 50 GDAA Cc1cc(=NC(=O)CN(C)C(=O)[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)[nH]o1 2325814064 OLDCBBYOOSJZFR-PBHICJAKSA-N 375.429 1.357 0 50 GDAA CC(C)NCC1CC2(C1)C[C@@H](NC(=O)CCc1cccnc1)CCS2(=O)=O 2332237786 LIJZVUQDYHWYOM-FDYSRKEFSA-N 393.553 1.854 0 50 GDAA CCOc1ccc(Oc2nc(N(CC)CC)nc(N3CCOCC3)n2)nn1 1079019 SNRYYWDNQABHGI-UHFFFAOYSA-N 375.433 1.535 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(c3cc(N4CCN(C)CC4)[nH]c(=N)n3)C1)CC2 2356137930 AWRBVTLAKZQLIX-OAQYLSRUSA-N 394.527 1.224 0 50 GDAA COc1cnccc1-c1ccc(C(=O)N2CCN(CCn3cncn3)CC2)cc1 2356149925 YLWOZGSANCHOMA-UHFFFAOYSA-N 392.463 1.807 0 50 GDAA CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C(N)=O)c1C 2922567 GDEAVUWMZTUVRB-UWVGGRQHSA-N 380.422 1.938 0 50 GDAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 100622669 AYACCIVVNHUZME-QGZVKYPTSA-N 381.476 1.362 0 50 GDAA Cc1ccc2oc(N3CCN(C(=O)c4ccc(S(N)(=O)=O)o4)CC3)nc2c1 112330540 MUYRLWUZALOKQF-UHFFFAOYSA-N 390.421 1.339 0 50 GDAA COc1ccc(-c2n[nH]c3c2CN(C(=O)CCn2cncn2)CC3)c(OC)c1 105787910 SSUNIXPMMIVMPX-UHFFFAOYSA-N 382.424 1.660 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 10434025 BWBDYOFALVGMLR-UHFFFAOYSA-N 390.303 1.906 0 50 GDAA Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)no1 71748489 ZTXHMZROAZYMFE-GOSISDBHSA-N 398.511 1.766 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)CCc3nc(-c4ccco4)no3)C2)n[nH]c1=O 67695159 YITMEITWZYSFSK-GFCCVEGCSA-N 386.412 1.573 0 50 GDAA CCn1cc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cn1 67459416 HAIVCJPBWKENCE-IBGZPJMESA-N 389.544 1.438 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 65364072 WWSLTENHUGLXFR-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CO[C@H](C)c1nc(C)c(C(=O)N2CCN(CCN3CCCOCC3)CC2)s1 364418173 MHKIADCZDAWGNH-MRXNPFEDSA-N 396.557 1.639 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1 12372990 AKVHTMOXIFQTGE-IBGZPJMESA-N 398.507 1.563 0 50 GDAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2ccc3ncccc3c2)CC1 328625816 DMWDWUHVFUHXSW-UHFFFAOYSA-N 391.449 1.186 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)[C@@H]2COc3ccccc32)cn1 328639212 WTCNKYKIKJLPOP-HZPDHXFCSA-N 375.450 1.377 0 50 GDAA CN(Cc1cc(=O)n2nccc2[nH]1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328645692 SHWDEKPACGDJEK-LLVKDONJSA-N 380.374 1.932 0 50 GDAA COC[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)CCCN1C(=O)OC(C)(C)C 253417726 FPQMJWMDBVTNNW-GOSISDBHSA-N 380.445 1.260 0 50 GDAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C1 329496400 IZMCSOBGQQIXIT-ROUUACIJSA-N 388.512 1.628 0 50 GDAA CN1C(=O)CC[C@H](C(=O)N2CCC(CS(N)(=O)=O)CC2)[C@@H]1c1ccccc1 486276185 PFTVCCRVRYBRQG-WMZOPIPTSA-N 393.509 1.123 0 50 GDAA O=C(NCC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccccc1OC(F)F 363574902 MEXVHFMDIZEMEE-CQSZACIVSA-N 397.422 1.199 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)c1ccc(N)nc1)C2 71745843 UXFXMUITZFAFHP-UHFFFAOYSA-N 375.436 1.780 0 50 GDAA Cc1nn(C)c(C)c1CCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 374491731 HCTVIAVCTJHBKH-UHFFFAOYSA-N 397.545 1.179 0 50 GDAA CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)O 262485332 LBOUVKARQHZINP-KBPBESRZSA-N 390.436 1.674 0 50 GDAA Cc1nnc(CN2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)o1 71749123 WWHITQMADUCWMM-QGZVFWFLSA-N 398.511 1.766 0 50 GDAA CC(C)CN1CCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)[C@@H](C)C1=O 77489327 IECIAEPKXRSBDP-ZDUSSCGKSA-N 376.432 1.934 0 50 GDAA O=S(=O)(NCc1ccccc1)NCc1noc(-c2ccc3c(c2)OCO3)n1 72161999 IVZRBDVAXCAAJM-UHFFFAOYSA-N 388.405 1.590 0 50 GDAA O=C(CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1)NC1CC1 71712136 OIGCPERCGAOYEV-KRWDZBQOSA-N 399.539 1.153 0 50 GDAA O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1CN1CCOCC1 174487355 IHZQBYHEAUQGGX-NRFANRHFSA-N 386.540 1.127 0 50 GDAA CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(C)n1 223752091 XYDDPYYUSOEHMK-IAGOWNOFSA-N 379.482 1.864 0 50 GDAA O=C(O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)CCC2CCOCC2)CC1 292353650 FGHVRWAFCCBBRS-SFHVURJKSA-N 396.509 1.576 0 50 GDAA CCc1nccn1CC(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91586360 XYQOMGDRMHBPGF-QGZVFWFLSA-N 388.512 1.856 0 50 GDAA CN1CC(=O)N(CC(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)C1=O 426551409 YZIKOGPGPMRMFX-NRFANRHFSA-N 387.480 1.914 0 50 GDAA Cc1ccn(CCC(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 96131064 OTJRDCYMIQWSQE-UHFFFAOYSA-N 382.472 1.361 0 50 GDAA Cc1cc(N2CCC(NCC(=O)N3CCCC3)CC2)nc(N2CCCCC2)n1 95519423 UTCLQCHDXBFBDU-UHFFFAOYSA-N 386.544 1.956 0 50 GDAA NC(=O)c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1 294919936 SYPRIYJTHRYPAT-UHFFFAOYSA-N 381.432 1.408 0 50 GDAA CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@](C)(O)C[C@]12NNC(=S)N2 245256301 OHDUBVHHVRLISK-WXRFYESLSA-N 377.510 1.952 0 50 GDAA CNC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)oc1=O 263586788 XYWFFFYHYVKGEI-GFCCVEGCSA-N 377.393 1.948 0 50 GDAA biogenic CC1(C)SC[C@@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)NC1=O 299790387 BELIKGCUIVAYDB-INIZCTEOSA-N 379.501 1.870 0 50 GDAA Cc1cc(N2CCC[C@@H](CNC(=O)c3cn(-c4ccccc4)nn3)C2)nc(N)n1 825149706 ORRQVEVAIUQOHX-HNNXBMFYSA-N 392.467 1.594 0 50 GDAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(n2ccc(O)nc2=O)CC1 1875310669 XWGJVEKKGROWPT-HNNXBMFYSA-N 375.812 1.770 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 1875365579 CRBKSFTUGMPOHE-HNNXBMFYSA-N 375.856 1.986 0 50 GDAA CN(C)C/C=C/C(=O)NCc1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1875379509 RSEGZXCKLAXLNF-PSKZRQQASA-N 377.489 1.868 0 50 GDAA COc1cc(F)c(F)cc1S(=O)(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875398806 FPDUTKNTSWTXHW-ZLKJLUDKSA-N 387.408 1.288 0 50 GDAA CCOc1ccc(C)cc1S(=O)(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875399058 NDRGANGBHRRLCJ-ARFHVFGLSA-N 379.482 1.708 0 50 GDAA CC(C)OCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(C)(C)C 1875345445 XVSRARWINDBLFL-IRXDYDNUSA-N 380.485 1.368 0 50 GDAA NC(=O)c1cccnc1N1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1 952980396 XBRRDNQJJRVOQR-UHFFFAOYSA-N 380.427 1.828 0 50 GDAA O=C(NCC1CCN(C[C@H]2CC(=O)N(c3ccccc3)C2)CC1)c1cnccn1 952976535 SNDSMZASFQESFN-GOSISDBHSA-N 393.491 1.972 0 50 GDAA COC(=O)Cn1ncc2c(N3C[C@H](SC)[C@@H](N4CCCC4)C3)ncnc21 222336061 CAQACWBKCJUHEE-KBPBESRZSA-N 376.486 1.015 0 50 GDAA CCCn1ccnc1CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565507522 VRIGOINLTQVVGB-ZWKOTPCHSA-N 389.525 1.172 0 50 GDAA C[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1CN 408513575 XNCJQRPVBSIYJK-HOCLYGCPSA-N 396.509 1.598 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCCO[C@@H]3c3cnn(C)c3)cc12 275275377 JSUGFVNDNLRDKT-JKSUJKDBSA-N 390.469 1.209 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCn2ncnc2C1 170598497 QFNYCRWVHAOZMY-UHFFFAOYSA-N 375.454 1.109 0 50 GDAA CCn1nc(C)c(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)c1C 1073312016 FTKLRYDILHHMAM-SFTDATJTSA-N 398.555 1.672 0 50 GDAA Cc1ccc2cc(CN3CCOC[C@@H](C(=O)O)C3)c(N3CCOCC3)nc2c1 1772810624 NMNJWILSHMNFAS-SFHVURJKSA-N 385.464 1.913 0 50 GDAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(C(=O)c3cscn3)[C@H]2C1 1775984004 GBVNTEHMPMDUET-QFBILLFUSA-N 392.525 1.365 0 50 GDAA COc1ccc(CN(CCO)Cc2ncc[nH]2)cc1OCCN1CCOCC1 1772705340 YKMMMWFRPOEVOE-UHFFFAOYSA-N 390.484 1.124 0 50 GDAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OCC 12208201 OWFDWVFSMRXGQQ-QGZVFWFLSA-N 377.485 1.319 0 50 GDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 13804245 NGMBBXDLCNLANV-HUUCEWRRSA-N 386.433 1.957 0 50 GDAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 14745753 MPZOAPOZUWQDMH-UHFFFAOYSA-N 388.512 1.876 0 50 GDAA O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NCCCn1cccn1 14959556 JUIMFNOHCSJGHL-UHFFFAOYSA-N 396.451 1.694 0 50 GDAA COCCN(C)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 19958742 MNKJTFKRZFAICD-UHFFFAOYSA-N 381.498 1.430 0 50 GDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc[nH]n1)C2 1857678669 KABGBUQALFCGAA-GQIGUUNPSA-N 390.484 1.306 0 50 GDAA Cc1ccc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)nn1 1857716659 OHVYFVLODPYLEX-UHFFFAOYSA-N 382.468 1.602 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)cc12 1857734568 LZLQHKMYIGNGOY-IHRRRGAJSA-N 377.466 1.389 0 50 GDAA CC(C)c1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)nc(=N)[nH]1 1857737556 SDXNEWHZWLLJLU-TXPKVOOTSA-N 381.480 1.957 0 50 GDAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CCOCC3)cc12 20026954 XJTGREBAAWTMGO-HNNXBMFYSA-N 376.453 1.735 0 50 GDAA COc1ccc(C(=O)NCC(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1OC 363549807 RMYDGCFVJRZGDL-GOEBONIOSA-N 375.469 1.519 0 50 GDAA Cc1nn(CCS(=O)(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c(=O)o1 825303531 HBRLOIDIFCRWFZ-MRXNPFEDSA-N 393.465 1.328 0 50 GDAA COC(=O)[C@H](CNC(=O)[C@@](C)(O)c1ccc(F)cc1)Oc1ccc(F)cc1 935121034 YKPYKONPOQBEPT-LPHOPBHVSA-N 379.359 1.909 0 50 GDAA C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 627198 VZYWTSTXSIBECE-SECBINFHSA-N 380.857 1.598 0 50 GDAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 879008 XPBYIGLVYCLGAO-UHFFFAOYSA-N 397.497 1.370 0 50 GDAA O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)N1CCC(Cc2ccccc2)CC1 246205635 OFRQOVOKECGVRU-HNBVOPMISA-N 382.460 1.630 0 50 GDAA Cc1nonc1CC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 59314203 PUPJYRQUEKTXNU-INIZCTEOSA-N 387.459 1.873 0 50 GDAA O=C(c1cnccn1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 20784061 CFMFNUSLIVHFQW-MOPGFXCFSA-N 375.432 1.811 0 50 GDAA CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC)c(OC)c1 65364312 INIOPHUFGUZHPC-HNNXBMFYSA-N 384.498 1.943 0 50 GDAA COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cccnc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65386804 OZQFJTNFJTYYOW-BZLDKRAPSA-N 379.416 1.111 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 11843531 MTSJFUMELFSVMD-HXUWFJFHSA-N 397.523 1.555 0 50 GDAA CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 331772103 FEMBYQCXRINZPC-WMZOPIPTSA-N 389.471 1.734 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 72437155 FHCYRMHKSIWGPO-ZDUSSCGKSA-N 393.431 1.840 0 50 GDAA C[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1ccc(-n2cncn2)cc1 72422013 ATBCMUKKFOUYJJ-HNNXBMFYSA-N 379.468 1.767 0 50 GDAA Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 330104492 HAMFLGSUWMBNRD-UHFFFAOYSA-N 390.874 1.414 0 50 GDAA CN(C)c1ccc(-c2cncc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)cc1 125183986 GJPPGOUXNDILKI-QGZVFWFLSA-N 388.493 1.578 0 50 GDAA CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c(NC5CCCCC5)ncnc43)[C@@H]2O1 215972760 AMNWSYQEVLXYTM-KDQZPGIASA-N 389.456 1.981 0 50 GDAA CNC(=O)c1ccn([C@@H]2CCCN(C(=O)c3cnc(OCC4CC4)cn3)C2)n1 284895906 LUCHJVPVNRHFSC-CQSZACIVSA-N 384.440 1.299 0 50 GDAA O=C(c1ccc([C@H]2CCCN2C(=O)Cn2cncn2)s1)N1CCOCC1 82039431 LUVKAODVYCLLJT-CYBMUJFWSA-N 375.454 1.176 0 50 GDAA CC(C)[C@H](NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)C(N)=O 19217900 NBVFGVIACZFXNM-IBGZPJMESA-N 399.495 1.232 0 50 GDAA O=C(N[C@H](CO)Cc1cncs1)c1cn2c(Br)cnc2s1 913706108 JKBIQHIZIKIGQQ-ZETCQYMHSA-N 387.284 1.948 0 50 GDAA Cc1nc(CC2CCN(C(=O)NCc3nc(-c4cccnc4)no3)CC2)no1 426683954 RUOVEQQCTSJCIV-UHFFFAOYSA-N 383.412 1.987 0 50 GDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)Cc2cccnc2)CC1 96166452 FJLJSGPLWWUQQP-UHFFFAOYSA-N 379.468 1.887 0 50 GDAA Cc1nc(N(C)C)ncc1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1 95363031 OFTPRDPCNNOGLC-UHFFFAOYSA-N 382.468 1.415 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375.513 1.840 0 50 GDAA CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(c2cc(C)[nH]n2)CC1 187156644 CYSIUGHXYVQWFD-QGZVFWFLSA-N 399.495 1.529 0 50 GDAA CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)C[C@@H]2C(=O)O)cc1 262959360 JDYLZWFGSKJWIY-XJKSGUPXSA-N 398.481 1.465 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)c3cccc(-c4cncnc4)c3)CC2)C1=O 299800517 XECZKEQMKOEEBQ-UHFFFAOYSA-N 379.420 1.642 0 50 GDAA O=C1CCc2cc(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)c(F)cc2N1 330308889 MONICFXZPUWMRF-PCROSSSRSA-N 382.435 1.949 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CC(=O)Nc3c(F)cccc32)c1 375388865 DYPISZVVPXHMCG-UHFFFAOYSA-N 377.397 1.675 0 50 GDAA O=C(CN1CCCS(=O)(=O)CC1)N[C@H](c1ccccc1)c1nccs1 375904481 QVQKMOIKSZUDMO-MRXNPFEDSA-N 379.507 1.469 0 50 GDAA Cc1ccccc1C(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426420408 RXLXBDJZUWHOPT-IBGZPJMESA-N 385.508 1.969 0 50 GDAA C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(N)n[nH]1 426723838 HAVOUNBGHMLNNT-SECBINFHSA-N 383.378 1.895 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1=O 763201166 YQJWOEUREPEQHQ-LBPRGKRZSA-N 384.440 1.302 0 50 GDAA COCCn1nnc2c1C[C@H](c1nc(-c3ccc4nc(O)[nH]c4c3)no1)CC2 952895990 ZLKWJONXWZKSQX-LLVKDONJSA-N 381.396 1.829 0 50 GDAA CCOc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1-n1cccc1 1565526088 XMBPUZCTOJOIGA-ZFWWWQNUSA-N 379.438 1.155 0 50 GDAA O=C(c1n[nH]c2c1COCC2)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704298716 CMAUYFKTQZYTAM-KUHUBIRLSA-N 378.432 1.706 0 50 GDAA COCCN1CC[C@@H](C(=O)N2CCCN(CCOc3ccc(F)cc3)CC2)C1 1775976473 AJVPEBQIGOBFAM-GOSISDBHSA-N 393.503 1.707 0 50 GDAA CSCC(=O)N[C@@]1(C)CC2(CCN(c3ncccc3F)CC2)OC[C@@H]1O 1775984494 WBCRTJZHSNEKLD-YOEHRIQHSA-N 383.489 1.579 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1nc2ccccc2c(=O)n1C 1857527316 HBPDJVCQHSGBFB-NEPJUHHUSA-N 381.436 1.619 0 50 GDAA C[C@@]1(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)CCc2cnccn2)C3)CCCCO1 1857695213 ZQLJWDFUBLMJHM-HXQKEGBBSA-N 386.496 1.722 0 50 GDAA CC(C)CC(=O)N1CCC([C@@H](O)CN2CCC(c3nc(=N)[nH][nH]3)CC2)CC1 1857733896 DTQQEOHWNYASDH-INIZCTEOSA-N 378.521 1.042 0 50 GDAA Cc1ccccc1C(=O)N1CCC(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)CC1 1875247886 SMQCIERRJMIFTP-MSOLQXFVSA-N 399.491 1.163 0 50 GDAA C[C@H](C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F 1875260599 ZMINLACFVLITQS-QWRGUYRKSA-N 392.399 1.228 0 50 GDAA Cc1cccc(C(=O)N2CC[C@H]([C@H]3CCCCN3C(=O)CCn3cnnn3)C2)c1 1875310336 MTAKNMASDSIXFZ-RBUKOAKNSA-N 396.495 1.915 0 50 GDAA CC(C)N1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC1 1875350606 UGHSMVKUHDKMGP-UHFFFAOYSA-N 396.451 1.645 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccoc2)N1Cc1ccccc1 1875396895 WNXKGGROCRPVJB-QAPCUYQASA-N 380.466 1.210 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3ccnc(C4CCC4)[nH]3)C2)c1C 1875397663 JJINLDGOZJLZLI-MRXNPFEDSA-N 395.511 1.965 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnn1C1CCOCC1 1875403652 XJRNVYNTDKCZCG-XGWLTEMNSA-N 393.875 1.654 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2ncc[nH]2)CC[C@H]1NC(=O)c1ncc[nH]1 2100480627 LBWSTVROUKQWQD-RRFJBIMHSA-N 388.472 1.185 0 50 GDAA CCOC(=O)C1=C(CSCC(=O)O[C@@H](C)c2cccnc2)NC(=O)N[C@H]1C 2325728928 CCAJZMZEIBPCKD-RYUDHWBXSA-N 393.465 1.938 0 50 GDAA COc1ccc(Cl)c(F)c1C(=O)N1CC2(C1)OC(=O)NC21CCOCC1 2325783388 WASUDELVNCPWNQ-UHFFFAOYSA-N 384.791 1.971 0 50 GDAA O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CC[C@@H](N2CC(O)C2)C1 2325802708 WYZBJTHFUQPNOY-AEFFLSMTSA-N 379.460 1.484 0 50 GDAA COc1cc(NC(=O)CCCOCCCN)ccc1N1CCC(=O)NC1=O 2325904006 AZVSLVPOJHCFCG-UHFFFAOYSA-N 378.429 1.226 0 50 GDAA O=[N+]([O-])C(=C(N1CCOCC1)N1CCOCC1)/C(Cl)=C(\Cl)[N+](=O)[O-] 1860607 SIZGHGKKZYNVSN-LUAWRHEFSA-N 383.188 1.020 0 50 GDAA CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1 4097975 ZMTYENXGROJCEA-LNKPQSDASA-N 380.444 1.615 0 50 GDAA biogenic,in-vitro O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Br)cc1 8990365 MUCSXMDSMFWSDM-CQSZACIVSA-N 395.253 1.920 0 50 GDAA O=C(COc1ccccc1)O[C@@H]1OCCO[C@@H]1OC(=O)COc1ccccc1 12559400 QFEDOIHKPVKTLK-BGYRXZFFSA-N 388.372 1.930 0 50 GDAA Cc1nc(N2CCC(N3CCOCC3)CC2)nc2cc(S(C)(=O)=O)ccc12 14878657 MOVLZAXRKIYUPW-UHFFFAOYSA-N 390.509 1.643 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 19835717 GFEKXGNSNLVZHM-UHFFFAOYSA-N 389.496 1.528 0 50 GDAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1 23153638 ZYRFFVOZHUONMS-ORAYPTAESA-N 377.489 1.137 0 50 GDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N1CCN(C)CC1)CC2 23353415 NMTCRXNXPXGMPP-SFHVURJKSA-N 381.524 1.590 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NC1C2CC3CC(C2)CC1C3 55042421 MGVHHYYFWGXXLH-ASGQDLFJSA-N 382.508 1.713 0 50 GDAA O=C1C[C@H](C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)c2ccccc2N1 65428095 YSBGPBREAVCAKQ-HNNXBMFYSA-N 379.420 1.244 0 50 GDAA O=C(O)c1cn(C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn1 65463073 BJLLXJBEZUMDMJ-HQPKTYMTSA-N 376.438 1.689 0 50 GDAA O=C1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CCN1 71755513 JNDKMMBRUBSXPZ-FQEVSTJZSA-N 398.551 1.712 0 50 GDAA CCNc1ncc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)cn1 72156291 GSJRXPBGCWMKKD-UHFFFAOYSA-N 376.420 1.857 0 50 GDAA O=C(CCn1cnnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72410068 OUMMHHHNVACWAU-FUHWJXTLSA-N 382.468 1.145 0 50 GDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](COc2cccc(F)c2)C1 72432468 ALZKNPMWMAXPRJ-CQSZACIVSA-N 375.400 1.383 0 50 GDAA COc1ccccc1N1CCN(C(=O)C[C@H]2CN(C(C)C)CCO2)CC1=O 82166208 SKYHXFREUGDBRR-INIZCTEOSA-N 375.469 1.370 0 50 GDAA Cn1cc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)ccc1=O 91893477 GELPISFIGIJNLS-QGZVFWFLSA-N 387.480 1.409 0 50 GDAA COc1ccc(F)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1F 91896599 XGMBLQMHVKHQFN-ZBFHGGJFSA-N 398.450 1.909 0 50 GDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1N1CCCC1)C2 95370810 PVFYNJHOOQFNRA-ZWKOTPCHSA-N 384.524 1.911 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1cccc(OCC(N)=O)c1)CCN2C 95389458 ZPNIXBYYSGCHII-NRFANRHFSA-N 388.512 1.069 0 50 GDAA CC(C)=CCN1CC2(CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)CC1=O 95506253 CCVZVARDTWZLCA-MRXNPFEDSA-N 380.510 1.742 0 50 GDAA Fc1ccc(-n2nc(Cn3cncn3)nc2C[C@H]2CNCCO2)cc1Cl 96164124 BIAUVIJTQYBACI-LBPRGKRZSA-N 377.811 1.231 0 50 GDAA C[C@H](c1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1)N1CCOCC1 97301283 ITMLEOUFLVVDGD-MRXNPFEDSA-N 382.512 1.871 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CN(C4CC4)CCO3)cc2)co1 123613253 VDIOHKGBVUMWJF-MRXNPFEDSA-N 377.466 1.792 0 50 GDAA Cn1cc(-c2ncc(C(=O)NC3CCN(C[C@H]4CCOC4)CC3)s2)cn1 136960209 UHEGHZYLSFPGLJ-CYBMUJFWSA-N 375.498 1.774 0 50 GDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)CC1 186753347 GDFOVZMBEXEYDV-UHFFFAOYSA-N 380.388 1.664 0 50 GDAA COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NC(N)=O 225726053 VEKSZGNGAHRZHI-AWEZNQCLSA-N 392.456 1.484 0 50 GDAA O=C(O)CC[C@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 262932741 BLOHCRRSROOETC-QGZVFWFLSA-N 399.447 1.162 0 50 GDAA CN1CCN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1c1nccn1C 284891565 NSFZTFAEFYHWGR-HNNXBMFYSA-N 386.431 1.366 0 50 GDAA CC(=O)NCc1ccc(-c2cccc(C(=O)N[C@H](C)Cn3cncn3)c2)nc1 299770786 RDJJSQNKJZZENM-CQSZACIVSA-N 378.436 1.795 0 50 GDAA Cc1ccc2c(c1)CN(C(=O)NCCN1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)CCO2 376377267 NVCDSMDXPPCVIB-LNMJFAINSA-N 395.459 1.706 0 50 GDAA COCCN1C[C@H](CNC(=O)N2CC(Oc3c(C)cccc3C)C2)CC1=O 426589703 CDYSWHFESJHQLR-INIZCTEOSA-N 375.469 1.571 0 50 GDAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cnn(CCC(N)=O)c2)cc1 534634238 HUILYKCAPKMJFX-MOPGFXCFSA-N 381.480 1.734 0 50 GDAA CN1CCN(CC2(CNC(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)CC2)CC1 534637750 RIDKFAIHNNHCRN-UHFFFAOYSA-N 376.549 1.876 0 50 GDAA NC(=O)c1cccnc1N1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1 744394282 GGMDNYIYYFAVMS-UHFFFAOYSA-N 382.399 1.692 0 50 GDAA CC[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2)n1cccn1 822548513 UPXFFUBLTWTGRX-INIZCTEOSA-N 377.489 1.646 0 50 GDAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)nn2)CC1 827523355 WYOITBHNZPITEO-MAEOIBBWSA-N 379.468 1.879 0 50 GDAA CS(=O)(=O)[C@@H]1CN(C(=O)CCc2ccc(C(=O)O)cc2)C[C@H]1C(F)(F)F 864097513 UYXIYDKINLSAKM-CHWSQXEVSA-N 393.383 1.751 0 50 GDAA Cc1nnsc1CN1CC[C@]2(CC(=O)NN2C(=O)c2cccc(F)c2)C1 888103732 WJTQUURICIAZTG-KRWDZBQOSA-N 375.429 1.507 0 50 GDAA O=S(=O)(Cc1noc([C@H]2CCc3nnn(C4CCC4)c3C2)n1)NC1CC1 952894255 MPEDNMWFAFJXKO-JTQLQIEISA-N 378.458 1.240 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)c2cnc3ccccn3c2=O)n1 952968222 KPZUUFQXTDWUHK-CQSZACIVSA-N 383.408 1.634 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC(CNC(=O)c3ccc(N(C)C)nc3)CC2)o1 952980486 XKYFFMDFLCCWNC-UHFFFAOYSA-N 398.463 1.691 0 50 GDAA O=C(Nc1cnc2ccccn12)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1339077392 ITCPYQIOWHOKDC-HOCLYGCPSA-N 382.395 1.616 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529166854 AMKOTZWYWSZPFZ-UXHICEINSA-N 382.464 1.893 0 50 GDAA COc1ccccc1CN1CCN(Cc2ccccn2)[C@H]2CS(=O)(=O)C[C@H]21 1565506780 BRHNAHQZTUCBON-MOPGFXCFSA-N 387.505 1.574 0 50 GDAA COc1ccc2cc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)ccc2c1 1615878415 VPWYNEVJJHWJRP-MJGOQNOKSA-N 378.494 1.533 0 50 GDAA O=C1C[C@H](Nc2ccc(C(=O)N3CCOCC3)cn2)CN1Cc1ccccc1 1704301144 MLTIBDMUBJDRKF-SFHVURJKSA-N 380.448 1.767 0 50 GDAA CN1CCC[C@]2(CO)CCN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]12 1704338843 HJTHJLZWPHEDOB-IEBWSBKVSA-N 380.510 1.156 0 50 GDAA O=C(COc1ccccc1)N1C[C@H]2CN(C(=O)CC3=CCCC3)C[C@@]2(CO)C1 1772708828 FOGGANDLISRPBY-GCJKJVERSA-N 384.476 1.845 0 50 GDAA Cc1nnc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)o1 1772710186 VYBQZYWDVOCKII-ZWKOTPCHSA-N 378.473 1.169 0 50 GDAA CN1CCOC[C@H]1C(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857707057 XUXRFCAIWDAYGW-ZDUSSCGKSA-N 380.466 1.167 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)NC[C@H]1COc2ccccc2O1 1857709392 VKFMUWKAVIIHAR-ZDUSSCGKSA-N 375.450 1.858 0 50 GDAA CN1CCC(N2C[C@@H]3[C@H](CNC(=O)Cc4ccccc4)[C@H]4CC[C@]3(C2)O4)CC1 1857718413 IISBXABNNTVRER-ZZLPTCMGSA-N 383.536 1.919 0 50 GDAA CC(C)N(C)S(=O)(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857733129 WQQFVOBUBYHMGT-ROUUACIJSA-N 399.561 1.233 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)CC3)cnc12 1875274629 OUHNQWGYXPSFRL-MRXNPFEDSA-N 390.509 1.602 0 50 GDAA COc1ccc([C@@H]2CN(C[C@@H](O)CN3CCC(C)CC3)C[C@H]2C(=O)O)cc1 1875283423 RSJUQNSHRSTYJK-YSIASYRMSA-N 376.497 1.888 0 50 GDAA CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cnn(-c2ccc(F)cc2)c1N 1875292530 LFCCLKAKVDVZKE-CQSZACIVSA-N 377.445 1.587 0 50 GDAA Cc1cc(N[C@H]2CC[C@H](CNC(=O)c3cnn(CCN(C)C)c3)CC2)ncn1 1875334014 UVNDEIXQCSSEGJ-SAABIXHNSA-N 385.516 1.944 0 50 GDAA NC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccn(-c3ccc(F)cc3)n1)C2 1875394606 OZFLEAMTXBZEBW-UXEPBGEESA-N 395.394 1.655 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2)CC[C@H]1NC(=O)c1cnn[nH]1 2100483183 XDNGLRUHQABTQK-LZLYRXPVSA-N 385.468 1.815 0 50 GDAA C[C@H](O)[C@H](C(=O)O)N(C)S(=O)(=O)c1cnn(Cc2ccc(Cl)cc2)c1 2325851857 LLWCKENZKSNRPH-IINYFYTJSA-N 387.845 1.039 0 50 GDAA O=C(c1cc(-c2ccccn2)[nH]n1)N1CCc2nc(-c3cccnc3)nn2CC1 2356170866 JYJMNXJZPMPIEI-UHFFFAOYSA-N 386.419 1.824 0 50 GDAA CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 1128454 VKWMXBYPITWLDS-UHFFFAOYSA-N 384.461 1.424 0 50 GDAA O=S(=O)(NN1CCOCC1)c1ccc(OCc2cnc(Cl)s2)cc1 4038335 YZTLTPZEAOBHAB-UHFFFAOYSA-N 389.886 1.901 0 50 GDAA COC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4488409 AUXYUPSCUUJFFF-LSDHHAIUSA-N 384.498 1.555 0 50 GDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)nc2ccccn2c1=O 4772892 RGULZYWINVBGFW-CYBMUJFWSA-N 392.799 1.165 0 50 GDAA Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10337870 PDUMYBLEJKAEEE-UHFFFAOYSA-N 385.555 1.722 0 50 GDAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14746993 JRKNIYSASWHEMY-ROUUACIJSA-N 387.480 1.177 0 50 GDAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1nonc1C)CC2 14753200 MVCTYRAFOBADOT-UHFFFAOYSA-N 395.419 1.998 0 50 GDAA CC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COC(C)C)CC2)cc1 19938337 ROIUXTZPUPEDFK-PMACEKPBSA-N 394.512 1.032 0 50 GDAA O=C(O)C1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 61719455 SUHKTCOGPHBIBV-UHFFFAOYSA-N 375.812 1.887 0 50 GDAA COC(=O)c1coc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 71498658 LWGVOGZEIMLSKD-AWEZNQCLSA-N 390.484 1.416 0 50 GDAA CN1C(=O)[C@@](CC(=O)NCc2nc[nH]n2)(Cc2ccccc2)c2ccccc21 71750836 OJPAVCVSDQSNJZ-OAQYLSRUSA-N 375.432 1.968 0 50 GDAA Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 72446715 TYRMJNQCDSAVDV-IAGOWNOFSA-N 397.541 1.705 0 50 GDAA CCc1nc(C)ccc1OCC(=O)N1CCOC[C@@](O)(CN2CCCC2)C1 77338937 RZYSPYBJOSJIMA-HXUWFJFHSA-N 377.485 1.017 0 50 GDAA O=C([C@H]1Cc2ccccc2CN1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 91526591 NCVNEKNWZFVLLU-LJQANCHMSA-N 375.432 1.453 0 50 GDAA CCC(CC)NC(=O)c1cccc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 95378701 PLXSONLVAIZJEV-CQSZACIVSA-N 386.495 1.194 0 50 GDAA CCCc1cnc(C)nc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95502503 GJHSQTQVEROCGC-UHFFFAOYSA-N 398.511 1.987 0 50 GDAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)O)cc2)n1 95508311 UJUHVZYVBOFQOA-OAHLLOKOSA-N 379.438 1.107 0 50 GDAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 130879938 LJDYEXHFOQKUOV-GFCCVEGCSA-N 394.472 1.802 0 50 GDAA COc1cccc(Cl)c1CC(=O)N1CCC(C(=O)N2CCOCC2)CC1 152846058 KJBLCMBYUQAFFX-UHFFFAOYSA-N 380.872 1.989 0 50 GDAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Nc1cnc(N(C)C)nc1 189218439 VPKDEROBHKNDDB-HXUWFJFHSA-N 384.484 1.643 0 50 GDAA CCc1nc(C2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)n[nH]1 191501220 LWOFCGJMMNAKQA-UHFFFAOYSA-N 391.497 1.442 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 206237960 PBBWDGQVKDEEOY-OAHLLOKOSA-N 397.387 1.873 0 50 GDAA COc1ccc(-n2ccnc2CN2CCN(c3cc(C)nc(N)n3)CC2)cc1 215180266 KDXFZAHSMXYRLS-UHFFFAOYSA-N 379.468 1.884 0 50 GDAA CC(C)C[C@@](C)(CN)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 225476793 OFFWGGIYBQBWPL-AWEZNQCLSA-N 382.935 1.785 0 50 GDAA CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 245189529 NXGXFAKJUWEFEC-FACDWMFESA-N 399.443 1.908 0 50 GDAA biogenic CS(=O)(=O)N1CCN(C(=O)c2cc3cc(C(F)(F)F)cnc3[nH]2)CC1 263639644 BTZPENWWHRFZLL-UHFFFAOYSA-N 376.360 1.299 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2O)C1 286381338 QGHJRYPNPLMMJH-GFCCVEGCSA-N 396.444 1.213 0 50 GDAA O=C(COc1ccc(N2CCCC2)nn1)NCC[C@H]1COc2ccccc2O1 299780853 CKARXIVJKYKEMM-HNNXBMFYSA-N 384.436 1.802 0 50 GDAA COc1ccc(NS(=O)(=O)c2cc(N)cc(C(=O)NCCN(C)C)c2)cc1 299801333 VKXZDFJUZMYZNQ-UHFFFAOYSA-N 392.481 1.370 0 50 GDAA CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 377058510 WRYXAWSVLSXVSG-IAGOWNOFSA-N 387.546 1.313 0 50 GDAA C[C@]1(CNS(=O)(=O)c2ccc(C(=O)O)cc2Br)CCC(=O)N1 414351557 RWVQALOMUICMDY-CYBMUJFWSA-N 391.243 1.094 0 50 GDAA O=C(NCC[C@H]1CCCCN1Cc1ccccc1)N1CCS(=O)(=O)CC1 426429720 DQFKJVMEGRHRBC-GOSISDBHSA-N 379.526 1.871 0 50 GDAA O=C(NCC1(c2ccccc2)CCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O 426485478 BSXUEIVBKHCYQW-MRXNPFEDSA-N 382.464 1.619 0 50 GDAA CCN(C(=O)NCCCc1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 584900384 NQXOOVLQLDFAFN-AWEZNQCLSA-N 378.498 1.725 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CN2CCc3ccccc3C2)cs1 670453919 BBYGQWWVKMHAFS-ZDUSSCGKSA-N 393.534 1.833 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cs1 952986349 DODPBNHFXUPFLC-AWEZNQCLSA-N 395.506 1.873 0 50 GDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 1329985490 OVGDLJHXBVKPQR-ZDUSSCGKSA-N 380.242 1.315 0 50 GDAA CCOc1ncccc1C(=O)N1CCCN(C(=O)c2cnc(N)nc2C)CC1 1529145250 FKUVBKVAEZZDNR-UHFFFAOYSA-N 384.440 1.149 0 50 GDAA Cc1oncc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1614987138 CKGHMDCOYNFSBP-YPMHNXCESA-N 382.467 1.251 0 50 GDAA CN(CCc1ncon1)C(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772805249 KHRCKCIJCHUKEF-LBPRGKRZSA-N 377.470 1.169 0 50 GDAA O=C1CO[C@@]2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)CN1 1772808151 HCDHACCPEKJQIX-HNNXBMFYSA-N 376.306 1.654 0 50 GDAA C[C@@H](C(=O)N1CCC2(CC1)CN(C)CCO2)N(c1ccccc1)S(C)(=O)=O 1772811080 OGMIISWPQIDOCR-INIZCTEOSA-N 395.525 1.164 0 50 GDAA Cn1cc(C(=O)N2NC(=O)C[C@]23CCCN(Cc2cccc(Cl)c2)C3)cn1 1775960453 MMOVLWIGJKYSAP-IBGZPJMESA-N 387.871 1.985 0 50 GDAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1cc(-n3cccn3)ccc1C)C2 1857680403 IMCUHWOLGMLKLK-GOSISDBHSA-N 390.465 1.786 0 50 GDAA CCCOCCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccccc1 1857684607 UXOYLTTXGQPBIC-ROUUACIJSA-N 387.480 1.435 0 50 GDAA CN(Cc1cc(-c2ccccc2)no1)S(=O)(=O)CC[C@H]1CCS(=O)(=O)C1 1857696310 VMKUUPOVZXWBKL-CQSZACIVSA-N 398.506 1.928 0 50 GDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N(C)Cc2nc(O)c3sccc3n2)n1 1857705628 OIKIDMGXEDTSJQ-AWEZNQCLSA-N 389.485 1.611 0 50 GDAA CCc1cnc(N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)nc1 1857723219 YUVFWNUBFXOXMW-BVIKNXMNSA-N 378.498 1.105 0 50 GDAA COc1ccc(F)cc1C(=O)N1C[C@H](CNC(=O)C[C@H]2CCNC2=O)C[C@@H]1C 1875334872 ITYNZYQFFWNSCB-MELADBBJSA-N 391.443 1.327 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)CC1 1875365470 AKULWKTWGNPFHD-UHFFFAOYSA-N 378.860 1.924 0 50 GDAA CC(C)n1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3cccn4ncnc34)CC1)O2 1875394651 QMRPIXCHGYKTLH-OAHLLOKOSA-N 396.451 1.998 0 50 GDAA O=C1N[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)CO1 2100483313 ZEVZCWPKPARSFA-AWEZNQCLSA-N 395.419 1.159 0 50 GDAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cccc(-c4cnco4)c3)C2)c1 2325786160 JGZPMDXFNMFPOY-JCURWCKSSA-N 396.403 1.806 0 50 GDAA O=C(C[C@H]1CCC(=O)NC1=O)NCc1ccc(I)cc1 2325787041 YIWMQVVRQNVTSC-SNVBAGLBSA-N 386.189 1.350 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)ccc21 2325889650 FKTFVTIOPNJKHS-UHFFFAOYSA-N 391.493 1.306 0 50 GDAA Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 2356138439 BTBUSGWVSBFLDS-KRWDZBQOSA-N 380.456 1.865 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 893044 YGVSQIIVBGPTMA-UHFFFAOYSA-N 378.425 1.981 0 50 GDAA CCOC(=O)COn1c(=O)c(-c2ccc(OCC)cc2)[n+]([O-])c2ccccc21 1110576 GEVHMKYMDBSLTF-UHFFFAOYSA-N 384.388 1.692 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C1CCOCC1 12052193 XVNUPSHFPLPWCD-KRWDZBQOSA-N 375.469 1.023 0 50 GDAA CCOC(=O)c1nn(CCOC)c2c1CN(Cc1c(C)nn(C)c1Cl)CC2 14752899 WMBVOJLDCYTSSW-UHFFFAOYSA-N 395.891 1.960 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)/C=C/c2cnn(C)c2)CC1 15065159 APFOJCJZGGREEN-RRFGBZISSA-N 390.528 1.799 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1OC 19300891 ASTZNCABBAHHBC-HXUWFJFHSA-N 390.484 1.187 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)C1 20028718 RRCTZHDLLSOKMI-INIZCTEOSA-N 399.944 1.656 0 50 GDAA CS(=O)(=O)NC1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 46899506 ICOYHCTXJZABKC-UHFFFAOYSA-N 377.470 1.096 0 50 GDAA COc1cccc(N2CCN(Cc3nc(N)nc(N4CCCCC4)n3)CC2)c1 54253536 CBSJHXPMKIKBJH-UHFFFAOYSA-N 383.500 1.775 0 50 GDAA COc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N2CCOCC2)cc1 59765736 VWQUPBQUKHRELO-UHFFFAOYSA-N 383.404 1.745 0 50 GDAA C[C@H](Cn1cncn1)C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67880645 SVBJAIFQPIBZSA-CQSZACIVSA-N 381.440 1.194 0 50 GDAA Cc1nnc(CN2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)o1 71708025 MCOZACJXQSSYHU-SFHVURJKSA-N 398.511 1.766 0 50 GDAA CCN(Cc1nccn1C)Cc1c(C(=O)N2CCOCC2)nc2ccccn12 71748715 ZDSLEINBGIZKTI-UHFFFAOYSA-N 382.468 1.562 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)c1ccnc(N)c1)C2 71750977 MWTBGLAQOOQGBK-UHFFFAOYSA-N 375.436 1.780 0 50 GDAA O=C(C1CC1)N1CCC(N2CCC[C@@H](C(=O)N3CCn4cccc4C3)C2)CC1 71751211 FNAWJFAFONFXRA-GOSISDBHSA-N 384.524 1.943 0 50 GDAA Cn1ncc2c(N3CCC(N4CCC[C@H](O)C4)CC3)nc(-c3ccncc3)nc21 72157569 UUEUOSVUFWZNFI-KRWDZBQOSA-N 393.495 1.851 0 50 GDAA Cc1ccc(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1F 72418074 AGUZHJHVLZNMTD-DLBZAZTESA-N 392.500 1.649 0 50 GDAA Cc1nc2c(c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n1)CCNCC2 72426094 FNFTULKQDZHOEJ-UHFFFAOYSA-N 381.480 1.524 0 50 GDAA COc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)cc1C(=O)O 72432689 GBSFOXXASBNHPG-FUHWJXTLSA-N 390.480 1.979 0 50 GDAA c1cc2c(cc1[C@@H]1CN(CCCn3cnnn3)[C@@H]3C4CCN(CC4)[C@H]13)OCO2 72454416 NSWLKBRRMOFDIZ-PWIZWCRZSA-N 382.468 1.354 0 50 GDAA O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cccn2)cc1 82108794 WTIUWNKJMSDTSC-OAHLLOKOSA-N 377.466 1.879 0 50 GDAA Cc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1C 91460519 HQTYQVOADQGKIJ-QFIPXVFZSA-N 377.444 1.919 0 50 GDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)CCc1cn3ccccc3n1)C2 95380182 CUUXNYVQECXWPR-UHFFFAOYSA-N 381.436 1.913 0 50 GDAA CC(C)=CCN1CCN(CC(=O)N(C)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95501201 AOZJKSWYJGRYEP-MOPGFXCFSA-N 391.537 1.399 0 50 GDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 95509827 HABAJOVTJSFANC-JKSUJKDBSA-N 378.494 1.492 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1 95512861 FHNZDMDDPMZOIE-UHFFFAOYSA-N 377.470 1.534 0 50 GDAA CC(C)(C(=O)O)c1cnc(N2CCC[C@](C)(CO)C2)nc1N1CCOCC1 96148666 WCVUVIWXUJADIL-IBGZPJMESA-N 378.473 1.274 0 50 GDAA COCc1noc(C[C@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)CCO2)n1 96151820 LPWRZZVWQFHRBQ-LBPRGKRZSA-N 376.369 1.420 0 50 GDAA CN(CCC[C@@H]1CCCO1)S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97657189 AEUZPEPDUAZRSP-QGZVFWFLSA-N 395.525 1.312 0 50 GDAA CN(C(=O)c1cc(N2CCOCC2)ccn1)[C@@H]1CCN(c2ccccc2)C1=O 130831816 TZADSFVXBWONFQ-LJQANCHMSA-N 380.448 1.796 0 50 GDAA CC1(C)CN(CCNC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)CCO1 187082957 FNNOMOISDDRFKS-UHFFFAOYSA-N 376.505 1.230 0 50 GDAA CCn1c(C)cc(C)c(C(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)c1=O 216489382 NJNMTIHRIJPNAC-MRXNPFEDSA-N 376.501 1.158 0 50 GDAA Cc1nc(CNC(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)nc2c1CCCC2 222673657 PGJMTNZUTORZND-FQEVSTJZSA-N 388.468 1.574 0 50 GDAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)c1 244719071 LWJPIHXXWBRUFU-KRWDZBQOSA-N 383.496 1.397 0 50 GDAA CO[C@H]1O[C@]23CC[C@@]4(O)CC(=O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C(=O)CO 253595882 KBOHKNKCARNXLE-NYYNYIPCSA-N 392.492 1.996 0 50 GDAA O=C(CCn1nc2ccccn2c1=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262026279 PBLLANBSTMHMBP-MRXNPFEDSA-N 385.855 1.713 0 50 GDAA Cc1ccc(C(=O)N2CCC(Nc3nc4c(c(=O)nc(O)n4C)n3C)CC2)cc1 290469492 AKHKYSZGYNKFRI-UHFFFAOYSA-N 396.451 1.398 0 50 GDAA CC(C)c1nc(CN2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)no1 328603150 FDLGNUFZTNWNJD-OAHLLOKOSA-N 388.472 1.423 0 50 GDAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C1=O 328612315 OJNIJMHWNBEJQI-AWEZNQCLSA-N 384.408 1.313 0 50 GDAA CN1C(=O)CO[C@H](C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)[C@@H]1c1ccccc1 329649865 FMDFBWMMDVUGFQ-XPGWFJOJSA-N 398.463 1.851 0 50 GDAA CC1(Cn2cc(C(=O)N3CCC[C@H](Cc4nnc5ccccn45)C3)nn2)COC1 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RHEPRTILQQQFLW-IBGZPJMESA-N 377.529 1.869 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2c(C)nc3ncnn3c2C)on1 95358736 APLTVMRRDIOEPD-PBHICJAKSA-N 384.440 1.344 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3cnc(-c4ccco4)nc3)C[C@@H]2C1 95379577 QOBPIORDQODNRB-OXQOHEQNSA-N 386.452 1.168 0 50 GDAA CC[C@H](C)NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95528168 MFICYHUCULNPGX-AWEZNQCLSA-N 383.514 1.865 0 50 GDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc1C(=O)O 95520762 QNYQFJBNPNCMGS-LBPRGKRZSA-N 388.449 1.252 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(CCc2cnn(C)c2)CC3)cn1 91707431 WQUZXGMWOAWVHY-UHFFFAOYSA-N 382.512 1.966 0 50 GDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1CC(C)(C)OC1(C)C 180539721 XYJRXOBOQFJWDC-OAHLLOKOSA-N 387.484 1.840 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)CCc1cccc2ccccc12 91694145 FOUGALOEZMDAOZ-WMZOPIPTSA-N 375.494 1.250 0 50 GDAA O=C(N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1)c1ccnc(-n2cnnc2)c1 95378216 NFWKMTFHVMVBNT-SJORKVTESA-N 380.452 1.429 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](c3ccncn3)C2)c1 96138461 CAYSDZWPKBUYGN-ZDUSSCGKSA-N 375.454 1.796 0 50 GDAA CCC1=NO[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)C1 95508924 WMJOSNGKNRCQDN-INIZCTEOSA-N 385.468 1.577 0 50 GDAA COc1ccc(N2C[C@H](Nc3nc(C)ncc3S(C)(=O)=O)CC2=O)cc1 95384796 VMMBGTZORYMATK-GFCCVEGCSA-N 376.438 1.415 0 50 GDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 245328217 UEMPABXSKILNNH-XDPMWJEWSA-N 385.464 1.203 0 50 GDAA Cn1ccc(NC(=O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 252494374 NUACSTKQRIOHRJ-UHFFFAOYSA-N 375.380 1.051 0 50 GDAA CCn1cnnc1CN(C)C(=O)c1ccc(-c2cnn(C)c2C(=O)OC)cc1 534636212 XUFONFJVEJCSAW-UHFFFAOYSA-N 382.424 1.757 0 50 GDAA Cc1cncc(C(=O)N2CCC3(CC2)CN([C@@H]2CCNC(=O)CC2)CCO3)c1 828305676 VTYYFKGEKDYTCQ-SFHVURJKSA-N 386.496 1.366 0 50 GDAA COCCN1CCN(C(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1 584884263 AUQRUVLBVSOYQN-CQSZACIVSA-N 376.486 1.183 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2cnn(-c3ccccc3OC)c2)C1 670455467 HMYCLRPWNOJFKC-OAHLLOKOSA-N 394.497 1.574 0 50 GDAA O=C(O)C[C@H](NC(=O)CN1CSCC1=O)c1ccc(OC(F)(F)F)cc1 268951308 QRHVEAVHEXVBRR-NSHDSACASA-N 392.355 1.750 0 50 GDAA CCCn1cccc1C(=O)N1CC2(CN(C)C[C@H]2c2ccnc(N(C)C)n2)C1 1875396194 YJNAXCDHMXLSJO-INIZCTEOSA-N 382.512 1.926 0 50 GDAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 1875383030 CXLCYSBEVDCFGO-JLDZCNIISA-N 381.476 1.516 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CCN1C 1875350222 FHSYFKCFQYHQTF-OAHLLOKOSA-N 396.451 1.500 0 50 GDAA NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cc2cc3ccccc3o2)C1 1875312425 BQRGRCOWAUVLHY-JKSUJKDBSA-N 391.493 1.882 0 50 GDAA Cc1nc(C(=O)NC2CC(Cn3ccnc3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404053 RXTDYLATKLTPDA-DAWZGUTISA-N 397.527 1.639 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)NC/C=C/c2ccc(Br)cc2)C[C@H]1O 1875400486 BGERMWYACXLUOO-MZSZDEQASA-N 396.285 1.601 0 50 GDAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)O)c1 274715353 BSUZBPBFTDLACC-KRWDZBQOSA-N 386.429 1.783 0 50 GDAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(C)=O)cc1 170607889 HOKIWAYFHRMBAL-OAHLLOKOSA-N 393.440 1.718 0 50 GDAA CC(C)c1[nH]ncc1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 189140688 JZDXKAVQELGEIB-UHFFFAOYSA-N 381.480 1.880 0 50 GDAA CCN(CCc1nc2ccccc2[nH]1)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 1506397940 GMVAWIFRAKXRMP-ZDUSSCGKSA-N 380.470 1.469 0 50 GDAA CCC[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@H]1NS(C)(=O)=O 219947077 GPHIBKASBXZWEZ-HOCLYGCPSA-N 378.498 1.603 0 50 GDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCC(CCO)CC1 1772810719 OYNHCTJMTPDPFF-OAHLLOKOSA-N 379.526 1.706 0 50 GDAA CN1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC12CCOCC2 1775977814 MMEOZHWVAQTDLC-UHFFFAOYSA-N 381.498 1.019 0 50 GDAA CN(Cc1ccncn1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 11873442 MCUNEGBUOPNZKT-LJQANCHMSA-N 381.480 1.258 0 50 GDAA CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N3CCOCC3)c2)C1=O 12003560 ZVCVQLHOXGHLGG-UHFFFAOYSA-N 386.857 1.515 0 50 GDAA NC(=O)C1CCN(C(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12296945 JPEXFXWSAHFJAW-UHFFFAOYSA-N 397.479 1.350 0 50 GDAA biogenic Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)s1 12441006 NHXAMGKAPMGWPG-OAHLLOKOSA-N 377.510 1.924 0 50 GDAA CCN1CCN(C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)CC1 14975730 OFOJVKBPOYPQQI-UHFFFAOYSA-N 389.496 1.863 0 50 GDAA CCN1CCN([C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 19832327 XSAQMNUDDGBPFB-MRXNPFEDSA-N 375.469 1.011 0 50 GDAA Cc1ccccc1C(=O)NCC[C@H]1COCCN1C(=O)c1ccc(=O)n(C)c1 1857668664 PTFIIPXWZGLLFG-KRWDZBQOSA-N 383.448 1.355 0 50 GDAA CC[C@H](C)NC(=O)N1CCC2(CC1)CC(=O)N(Cc1noc(C)n1)CCO2 1857686664 BFLVNJJNQSHMAZ-ZDUSSCGKSA-N 379.461 1.470 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1 1857702285 HHAWTPGZLFQOBI-RCCFBDPRSA-N 389.496 1.701 0 50 GDAA COC1(C(=O)N[C@H]2CCOC2)CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 1857733400 JFDIMKQYVKSTPD-KRWDZBQOSA-N 399.447 1.868 0 50 GDAA COCCCn1c(C(=O)N2CCN(C)CC2)cc2c(=O)n3cccc(C)c3nc21 12421600 BSADQQFFGVNCGL-UHFFFAOYSA-N 397.479 1.382 0 50 GDAA CC(C)N1CCN(CCC(=O)N[C@H](CCC(=O)O)Cc2ccccc2)CC1 909537974 ZIRULMHALRHMHC-LJQANCHMSA-N 375.513 1.995 0 50 GDAA CCn1cc(-c2nn(C)cc2C(=O)NC[C@H]2CCS(=O)(=O)[C@H](C)C2)cn1 2325786609 HINYRVNQJQPCCA-OLZOCXBDSA-N 379.486 1.247 0 50 GDAA Cc1oc(S(=O)(=O)N2CCC(c3cnn(C)c3)CC2)cc1S(C)(=O)=O 2325820403 SYCHCQAFUFLHLH-UHFFFAOYSA-N 387.483 1.293 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1O 2356170048 RXUKSAREDVLOBR-XLIONFOSSA-N 376.453 1.345 0 50 GDAA CCOCCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 4250539 JXIKADPTVXQNGD-UHFFFAOYSA-N 381.436 1.792 0 50 GDAA COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(I)c1O 4905669 ROUMZZOUHLDDPJ-OIBJUYFYSA-N 381.191 1.794 0 50 GDAA Cc1ncsc1CCNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 414339374 ZEXFMBKUJCHEEK-UHFFFAOYSA-N 384.435 1.442 0 50 GDAA Cn1c(=O)c2c(nc(S)n2Cc2cc3c(cc2Cl)OCO3)n(C)c1=O 100708193 MUBWELNOIYCPAR-UHFFFAOYSA-N 380.813 1.153 0 50 GDAA biogenic CN1CCN(c2cc(CNC(=O)N3CC[C@@H](Oc4cccnc4)C3)ccn2)CC1 134646117 WQVCLFWTZCIYRE-LJQANCHMSA-N 396.495 1.591 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(CC)CC2)cc1C 20028151 GFQAJJHFKSYGNX-UHFFFAOYSA-N 383.514 1.178 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1csc2nc(-c3ccccc3F)cn12 67434167 XJTDGLNIQHZIIZ-TZMCWYRMSA-N 395.437 1.090 0 50 GDAA O=C1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CN1CC(F)(F)F 330148548 USIATOVYGOZNCH-CQSZACIVSA-N 383.370 1.729 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCc3ccccn3)C2=O)c1OC 67769961 PDUMLCUDONWJSY-NRFANRHFSA-N 385.464 1.742 0 50 GDAA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 229676888 VWVYKISURIMRMW-KZNAEPCWSA-N 393.553 1.886 0 50 GDAA Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1C 252523101 BWQWXZHZGLASQT-LBCSOOOPSA-N 378.494 1.200 0 50 GDAA O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCN(c2ncccc2F)C1 150984821 PBWBMLWAACYHKA-ZIAGYGMSSA-N 388.422 1.912 0 50 GDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](C(=O)O)C(C)C)n1 71334573 PDZFYODJBYSOKQ-QGZVFWFLSA-N 377.372 1.283 0 50 GDAA COC(=O)Cc1nnc(NS(=O)(=O)c2cc(C)cc(Br)c2)[nH]1 253427758 CGEIHPWFIKQWFL-UHFFFAOYSA-N 389.231 1.392 0 50 GDAA Cn1cc(C[C@H]2CCN(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)cn1 363135090 PGSDBVGFLUTVPX-OAHLLOKOSA-N 376.482 1.598 0 50 GDAA CN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 72145132 JCKBGUJNGBINKO-HXUWFJFHSA-N 397.475 1.620 0 50 GDAA O=C1NCCN(C(=O)c2ccc(N3CCNC3=O)cc2)[C@@H]1c1ccccc1F 372352438 YMTRYRUAXDJRML-QGZVFWFLSA-N 382.395 1.669 0 50 GDAA CNC(=O)[C@@H](NC(=O)CN1CC[C@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 372361798 VFVSMJJQPYXYJQ-SIKLNZKXSA-N 392.459 1.186 0 50 GDAA COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528106 MDBAFSYBSJIJGB-UHFFFAOYSA-N 398.467 1.676 0 50 GDAA CCn1cccc(NC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)c1=O 333943202 QTXQFUMRYWVEGX-UHFFFAOYSA-N 375.517 1.891 0 50 GDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)CCc3cnccn3)CC2)C1 71749226 XVARYNCWPAQGLA-INIZCTEOSA-N 385.512 1.391 0 50 GDAA CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[C@H](N)C2)c1F 158239432 MBZRUFDWAAYDGO-VIFPVBQESA-N 379.251 1.555 0 50 GDAA C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nccc(-c3cnccn3)n2)CC1 450315741 PZFJEERERMVVOT-HNNXBMFYSA-N 381.484 1.503 0 50 GDAA Cn1nc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2c1=O 230276479 FBEQQARIGPYVFK-CABCVRRESA-N 390.443 1.284 0 50 GDAA biogenic Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c(O)c1 91620030 UOMYARWHUDCCKT-MJGOQNOKSA-N 375.513 1.551 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(C(=O)c2ccc[nH]2)CC1 91518864 NOMMGDXMXKSWNA-UHFFFAOYSA-N 379.420 1.168 0 50 GDAA CCNc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 95502036 ALTIXZXONSDRID-WMLDXEAASA-N 380.452 1.567 0 50 GDAA CCc1noc([C@@H]2CCCN2C(=O)Nc2cc(S(N)(=O)=O)ccc2C)n1 96131489 AWFJLGWQRMUNNV-ZDUSSCGKSA-N 379.442 1.957 0 50 GDAA Cc1c(C(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)n(C)c2ccc(F)cc12 91877275 WYSQUJZVSKIZBR-HUUCEWRRSA-N 377.460 1.230 0 50 GDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)Nc2cccc(-n3cncn3)c2)C1 95496708 IZCCOQGTPDKTTK-CYBMUJFWSA-N 382.428 1.300 0 50 GDAA CSCC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]12 248026188 LXNBVGNNHRSPEL-YEOLMYPVSA-N 387.505 1.593 0 50 GDAA CNC(=O)[C@H]1CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 183539052 BOSJXDXLNPDLQF-CYBMUJFWSA-N 378.816 1.296 0 50 GDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCn1c(O)nc(=O)c2ccccc21 299750328 NCDOYWYQKUJUPP-QGZVFWFLSA-N 393.399 1.530 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NCCn1cccn1 252552210 UROJGFWTSHUSBV-CQSZACIVSA-N 375.816 1.368 0 50 GDAA COCCn1nnc2c1C[C@@H](c1nc(-c3ccc4nc(O)[nH]c4c3)no1)CC2 952895991 ZLKWJONXWZKSQX-NSHDSACASA-N 381.396 1.829 0 50 GDAA CC(C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2ccccn2)CC1 888103473 JGCXZWAVYYRIKT-RTBURBONSA-N 385.512 1.697 0 50 GDAA CCN(CCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccccc1C 410215973 POZRZDNLHQITBF-IRXDYDNUSA-N 396.557 1.838 0 50 GDAA NC(=O)Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 191475840 HRAUKKIHRNUEAA-NSHDSACASA-N 397.266 1.469 0 50 GDAA C[C@H]1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC(=O)N1C 1704312881 DFGREVMYYFXMIX-AWEZNQCLSA-N 384.436 1.481 0 50 GDAA COC(=O)CCN1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 14744283 RVEUMSQYIGBTFM-FQEVSTJZSA-N 397.475 1.874 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cncc(=O)[nH]3)C1)CC2 1857672261 NROSOWMJYBNVNB-FQEVSTJZSA-N 383.452 1.683 0 50 GDAA Cc1ccsc1CN1C[C@@H]2COC[C@]2(C(=O)NCCc2csc(=N)[nH]2)C1 1857682343 JHLAEBTZFUCXPY-FZKQIMNGSA-N 392.550 1.733 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2ccccc2)CC[C@H]1O)c1ccncc1F 1875249933 KMDYRJUZDKDCJA-KFKAGJAMSA-N 385.439 1.839 0 50 GDAA O=C(CCn1ccccc1=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875251460 MGVKCHUHYWUBQK-LPHOPBHVSA-N 376.840 1.853 0 50 GDAA C[C@@H]1CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCS1(=O)=O 122469226 GEUNUGZMDDJDNB-LLVKDONJSA-N 383.857 1.968 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1cccc(F)c1)C2 247982608 XWFMOVPJIWMBDC-WBVHZDCISA-N 383.489 1.488 0 50 GDAA Cn1cc(Cl)c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 248099461 DNGBGSZCRNFLJJ-PWSUYJOCSA-N 379.873 1.793 0 50 GDAA CC(C)[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)O 261676460 LBXOCUALNNNWBO-GFCCVEGCSA-N 394.243 1.608 0 50 GDAA O=C(Cn1cncn1)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 912481301 MTKZEZJJISAHIA-UHFFFAOYSA-N 382.346 1.260 0 50 GDAA O=C(c1ccnc2[nH]ncc12)N1CCN(S(=O)(=O)c2cccs2)CC1 2325776287 MUMHNUJRTAVHJX-UHFFFAOYSA-N 377.451 1.166 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1N1CCOCC1 2325786196 PQKUSKKVKOSZBK-ILZDJORESA-N 384.480 1.598 0 50 GDAA CCn1cc(C(=O)NC[C@H]2CCS(=O)(=O)[C@H](C)C2)c(-c2cnn(C)c2)n1 2325786613 HLKBEPRUOFREMX-OLZOCXBDSA-N 379.486 1.247 0 50 GDAA CC(=O)N1CC[C@](C)(C(=O)NCC2(NC(=O)c3cc(Cl)cn3C)CCC2)C1 2325793379 RYNYFOTUACLWQN-SFHVURJKSA-N 394.903 1.706 0 50 GDAA CN(CC(=O)N(C)C1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1)CC(C)(C)C 2325794273 WKVSDSOTNSORHE-WXVPWVKJSA-N 379.545 1.885 0 50 GDAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC 893034 CASVGHIATCYROY-UHFFFAOYSA-N 390.461 1.851 0 50 GDAA Nc1nc(N)c(-c2c(-c3cc4ccccc4o3)[nH]c3nc(N)[nH]c(=O)c23)c(=O)[nH]1 12360308 HVDLNFZSTOCDNW-UHFFFAOYSA-N 390.363 1.161 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 3015872 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399.900 1.804 0 50 GDAA Oc1cccc(CN2CCC[C@H](NCc3cnc(N4CCOCC4)nc3)C2)c1 952965641 QPLHDPLDMMEGEX-IBGZPJMESA-N 383.496 1.773 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 952967286 HFOXFVMUVKLUFR-LJQANCHMSA-N 394.435 1.683 0 50 GDAA CN1C[C@@H]2CCN(C(=O)[C@@]3(O)CCc4cc(Br)ccc4C3)[C@@H]2C1 888100411 KAPYUCANPGPMOC-YXJHDRRASA-N 379.298 1.831 0 50 GDAA CCC[C@@H]1C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CN1CCOCC1=O)C2 1775992794 VHXXBVRQYSPXSK-UYTYNIKBSA-N 391.512 1.167 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)C3(c4ccccc4)CC3)CC1)OC2 1775962201 YTGNWFQSSZJFOS-UHFFFAOYSA-N 394.475 1.866 0 50 GDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 1565512510 VLAOWUQYDGBXST-GJZGRUSLSA-N 378.454 1.030 0 50 GDAA Cc1nccn1CCCN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565506241 NZIREAWNAZOEAM-UXHICEINSA-N 388.537 1.565 0 50 GDAA Cc1oc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1C(=O)O 268924855 DWBUIKMWGDDMAW-PBHICJAKSA-N 388.424 1.588 0 50 GDAA Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1320400091 ZOFSZTADBXRQRB-MRXNPFEDSA-N 390.465 1.673 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ncc[nH]c3=O)CC1)OCC2 1704345248 UTFPMLYNAINDFZ-UHFFFAOYSA-N 385.420 1.491 0 50 GDAA Cc1c(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cnn1C 1704359562 SHMOMMXABNFRHS-CRAIPNDOSA-N 386.477 1.813 0 50 GDAA CCCS(=O)(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 12227861 QRDOXJOYXQORAB-UHFFFAOYSA-N 375.498 1.633 0 50 GDAA COc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 14534525 DBDOOEGSPODNCT-VDGAXYAQSA-N 395.459 1.201 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCc3[nH]c4ccccc4c3C2)C1 14965549 AAPWFTRMMDGGGF-SFTDATJTSA-N 397.500 1.960 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CC[C@@H](N(C)C)C2)n1Cc1ccccc1 19606728 QPDYFWZNNQNHLR-QGZVFWFLSA-N 376.526 1.861 0 50 GDAA Cc1cnc(CNC(=O)[C@@]23CCCN(Cc4cnn(C)c4)[C@H]2CN(C)CC3)cn1 1857671820 RNHZFYSFHUZMHZ-PZJWPPBQSA-N 397.527 1.121 0 50 GDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC3(CC2)CC(=O)NCCO3)no1 1857693093 HVBGUEJSLGFPRS-UHFFFAOYSA-N 393.875 1.908 0 50 GDAA CN1CC[C@]2(C(=O)NCC3=CCCCC3)CCCN(C(=O)c3cc[nH]n3)[C@H]2C1 1857693765 LIJBJSRCKLFCAU-GHTZIAJQSA-N 385.512 1.953 0 50 GDAA O=C(Cn1cnnn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857699471 QAXBBHLYYDOSCJ-IBGZPJMESA-N 398.511 1.772 0 50 GDAA CN(C)C(=O)[C@@H]1C[C@@H]2CN(Cc3nccn3C)CC(=O)N2[C@@H]1c1ccccc1 1857704098 DCANFZGBKJWYBL-MBOZVWFJSA-N 381.480 1.282 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)CCCCc3ccccc3)C[C@H]2CO1 1857728481 CUVMHHBKBHOYEA-UFYCRDLUSA-N 387.524 1.836 0 50 GDAA C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 133480942 USHNZYKNXBMNCZ-RDJZCZTQSA-N 391.491 1.256 0 50 GDAA CCn1cnc2c(c1=O)CCN([C@@H]1CCN(c3cc(OC)cc(OC)c3)C1=O)C2 375722618 LDSWWNNXSFCRCN-LJQANCHMSA-N 398.463 1.444 0 50 GDAA CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 36215792 XUCDODSZSPRJGQ-UHFFFAOYSA-N 395.312 1.356 0 50 GDAA CCN(CC)c1ccc(Nc2ncc(C(=O)N3CCN(C=O)CC3)cn2)cc1 244153978 UWNXQWAXFKTYEM-UHFFFAOYSA-N 382.468 1.981 0 50 GDAA CN(C)CCN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325699747 CLSJZRNYONSRGA-UHFFFAOYSA-N 394.475 1.735 0 50 GDAA O=C(C[C@@H]1CN(Cc2csnn2)C2(CCC2)CO1)N1C[C@H](O)CC2(CC2)C1 2325785120 DCUKDEZVENIMOW-HZPDHXFCSA-N 392.525 1.425 0 50 GDAA CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3cncc4ncn(C)c34)[C@H]2C1 2325793781 HPDXWWGVRBXKRW-ULXOXKCHSA-N 381.480 1.837 0 50 GDAA Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4cnn[nH]4)cc3)C2)no1 2325869262 FOWLJDZAWXRLDJ-AWEZNQCLSA-N 394.435 1.589 0 50 GDAA Cc1cc(C(=O)N2CC3(C[C@H](NC(=O)[C@H]4CCCN4C)c4nccn43)C2)oc1C 2332237537 ACLFLDPRCCCGIS-JKSUJKDBSA-N 397.479 1.599 0 50 GDAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccccc1Br 869417 OJJUFWLAMALEGE-LLVKDONJSA-N 391.287 1.510 0 50 GDAA Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCOCC3)CC2)cc1 2938363 MLHZECPTGHCWNK-UHFFFAOYSA-N 380.510 1.939 0 50 GDAA O=C1OCCN1CC(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356151788 ZEQFKJDSTAXVEQ-NRFANRHFSA-N 385.464 1.665 0 50 GDAA Cc1cccc(=O)n1CCC(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 2356156278 ZUOORJULSQZCNF-QFIPXVFZSA-N 395.507 1.909 0 50 GDAA COCCC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1cc[nH]c1 2356164725 DSNGPZOUXOJWRB-BAYUQKDNSA-N 397.475 1.384 0 50 GDAA COCCn1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 4251059 NOBGGQDKTBPBGG-UHFFFAOYSA-N 381.436 1.347 0 50 GDAA CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1[C@@H](C)c1ccccc1 4535705 XVACPGFHKFDSDD-HNNXBMFYSA-N 398.511 1.797 0 50 GDAA Cc1ccccc1NC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 23431121 RPKMVMCJHWVBLC-UHFFFAOYSA-N 383.452 1.060 0 50 GDAA Cc1ccc(C(N)=O)c(-c2cnn(CC(=O)Nc3nn(C)c4ccccc34)c2)n1 55255794 FQIUEFWTWHLAME-UHFFFAOYSA-N 389.419 1.878 0 50 GDAA Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1 20775816 CWBGFSXYAKVCMZ-LJQANCHMSA-N 397.523 1.791 0 50 GDAA COc1cc([C@@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OCC(N)=O 65375484 ZWBWENVZELKHNK-ZDUSSCGKSA-N 380.404 1.359 0 50 GDAA CN1CCN(C(=O)CSCc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 77503879 AVTXQTMTGGROJV-CABCVRRESA-N 388.942 1.513 0 50 GDAA Cn1c(=O)c2c(nc3n(CCO)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 4168958 JLQXFOJBUUNSOW-UHFFFAOYSA-N 397.479 1.147 0 50 GDAA CC[C@H](NS(=O)(=O)c1cccc(C(=O)NCCN)c1)c1ccc(F)cc1 216414083 AEJIZUVFIQVHEL-KRWDZBQOSA-N 379.457 1.944 0 50 GDAA Cn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ccc3nnc(C(F)(F)F)n3n2)cn1 328620953 HLXFEQLGJLDLBT-RNCFNFMXSA-N 380.334 2.149 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cc(O)nc(C3CC3)c1)C2 329119368 PCGRORNRRLRJPK-UHFFFAOYSA-N 387.461 1.771 0 50 GDAA O=C(COc1ccc(F)cc1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71774544 FHZLBJUDUVKLGK-UHFFFAOYSA-N 380.379 1.935 0 50 GDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 253369257 AJUNZEQXCSKEBE-IYVPYFHTSA-N 395.415 1.847 0 50 GDAA CN1Cc2cc(NS(=O)(=O)c3ccc(OCC(=O)O)cc3)ccc2NC1=O 479583164 WQZSIGKDAYLIJQ-UHFFFAOYSA-N 391.405 1.928 0 50 GDAA O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)CCO)CC2)CC1 71440217 NSGNTQHIJLVUBB-UHFFFAOYSA-N 387.524 1.431 0 50 GDAA CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 363571922 WUDHPMOBPOBJNP-WUOIFLIFSA-N 398.459 1.911 0 50 GDAA Cc1csc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)n1 216444127 VJEOCVRSRNHOCT-ZDUSSCGKSA-N 380.495 1.022 0 50 GDAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CCO1 333772390 YEZBVYCFJBUNCW-UXLLHSPISA-N 387.488 1.342 0 50 GDAA Cc1noc([C@@H]2CN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CCN2C)n1 285525834 QYKXEIKMUAMZPH-HNNXBMFYSA-N 382.428 1.694 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3c(Cl)cnn3C)C[C@H]2CCC(=O)O)CC1 95391345 LUFGNSUXIXKSAK-HIFRSBDPSA-N 397.907 1.016 0 50 GDAA CN1CC[C@](C)(CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96131750 LTURACCRUSRLBT-LJQANCHMSA-N 377.489 1.429 0 50 GDAA CN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@@H]1CCNC1 179092629 NPCKSQLPRSSOOI-SECBINFHSA-N 379.251 1.426 0 50 GDAA CNC(=O)c1cc(NC(=O)NCc2noc([C@@H]3CCCO3)n2)ccc1OC 426707148 FWBQNADDYGJZMV-ZDUSSCGKSA-N 375.385 1.611 0 50 GDAA COc1cccc(OC2CN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)C2)c1 95502669 LIHHSNYYGOISFX-INIZCTEOSA-N 381.432 1.729 0 50 GDAA CCc1nc2c(N3CCC[C@H](c4nnc(Cn5ccnc5)n4C)C3)ncnc2o1 95361164 PLUVWWAAHHXUTM-ZDUSSCGKSA-N 393.455 1.938 0 50 GDAA C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1 97742871 MHVZVSSMWVBWSV-HNNXBMFYSA-N 376.482 1.876 0 50 GDAA Cn1c(=O)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc2ccccc21 95352199 FNTAAAUCBAYYQN-JKSUJKDBSA-N 394.475 1.797 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2N2CCCC2)C1 95523282 XWWGVOYKBKIGKG-MRXNPFEDSA-N 381.480 1.988 0 50 GDAA Cc1c(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)cnn1-c1ccccn1 1940193380 CFOFOSSZAXUTMP-OXJNMPFZSA-N 384.436 1.654 0 50 GDAA C[C@@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1nnc(N)s1 670452734 PFIAYGNKEDJKEG-CYBMUJFWSA-N 376.486 1.588 0 50 GDAA CN(C)S(=O)(=O)Cc1noc([C@@H]2CCc3nnn(C4CCCC4)c3C2)n1 952895986 ZJGSYFRBKRHVRL-LLVKDONJSA-N 380.474 1.440 0 50 GDAA Cc1cc(N)n(CC(=O)NCC[C@H](C)NC(=O)[C@]2(C)C[C@@H]2C(F)(F)F)n1 1875332598 AHZFZYKEAFYZKV-CCUNJIBTSA-N 375.395 1.373 0 50 GDAA CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)O[C@@H]1CCCS(=O)(=O)C1 1343308415 DXSPAMPEDJYBNL-HZPDHXFCSA-N 382.482 1.631 0 50 GDAA COc1ccc(F)cc1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1565512449 CFYNUTDWDHBZQM-CVEARBPZSA-N 382.457 1.054 0 50 GDAA COC[C@H]1[C@H](NC(=O)CCc2nc(-c3ccccc3F)no2)[C@H]2CCO[C@H]21 1565515944 LIXDTVVAPARUIZ-JGTCGTHISA-N 375.400 1.974 0 50 GDAA Cc1cccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 1506409353 ZEYWVVGVWTWCFC-QGZVFWFLSA-N 381.498 1.469 0 50 GDAA O=C(Cc1cccnc1)NC[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 1506399231 LECZLDMAPLDPAX-MRXNPFEDSA-N 397.504 1.722 0 50 GDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CCCN(CC(N)=O)C1 1529142952 ZEEQBXCEWYZMER-AWEZNQCLSA-N 385.468 1.540 0 50 GDAA COC(=O)N[C@H](C)C(=O)N1CCCN(C(=O)c2ccnc3ccccc23)CC1 1704306049 USWBEJIXZQBOST-CQSZACIVSA-N 384.436 1.654 0 50 GDAA CCOc1ccc2nc(CN3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)ccc2c1 1616082214 SRDUNXNEGCJCCX-BEFAXECRSA-N 393.509 1.318 0 50 GDAA Cc1cc(C)nc(CNC(=O)c2cn(C[C@@H]3COc4ccccc4O3)nn2)n1 11700087 BFELDPXRINZJKA-CQSZACIVSA-N 380.408 1.455 0 50 GDAA CCN(CC)C[C@H](O)COc1cc(CNCCn2cccn2)ccc1OC 11842937 MZSZZGPUKKTZSL-SFHVURJKSA-N 376.501 1.763 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4F)c3)CCN2C1=O 14542406 RPMKPWKKUUPVAM-IEBWSBKVSA-N 399.470 1.569 0 50 GDAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCO)CN(Cc3ccncc3)C2)cn1 14732001 KJJJINZUZHGWQH-RBUKOAKNSA-N 384.480 1.411 0 50 GDAA C[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 4471618 MIWVVQMVAIPNSG-DGGAMASNSA-N 382.372 1.776 0 50 GDAA biogenic Cc1nc(CN2CC(=O)N3[C@H](c4ccccc4)[C@H](C(N)=O)C[C@@H]3C2)n(C)c1C 1857690739 QVBZMIFGIAZHMA-MBOZVWFJSA-N 381.480 1.296 0 50 GDAA COc1ccc(-c2cc(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)n[nH]2)cc1 1857726697 AEGZWCCVSKWQMG-XLIONFOSSA-N 382.420 1.649 0 50 GDAA O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 209128125 YZXWZKZXIIOOSL-ROUUACIJSA-N 389.883 1.920 0 50 GDAA O=C1N[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@@H]2N1C1CCNCC1 333648665 JLWGLECYQNYTQP-HOTGVXAUSA-N 398.916 1.249 0 50 GDAA Cn1c(=O)n(CCC(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)c2ccccc21 1875395904 PDSIXRGDXVHOCZ-UZTOHYMASA-N 390.509 1.932 0 50 GDAA OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 33989734 XVYLNHVEAOOEGI-FAIWKWDXSA-N 397.556 1.149 0 50 GDAA in-vivo Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)CC1 2325732857 HWVRURDRSTUBFS-UHFFFAOYSA-N 390.444 1.708 0 50 GDAA O=C1CC2(CCNCC2)[C@H](CNC(=O)c2c(F)cncc2Br)O1 2325786499 QUCGKQUWVUGSOF-NSHDSACASA-N 386.221 1.398 0 50 GDAA C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1 1069321 WGNFMOXGVJXWCT-GJZGRUSLSA-N 381.480 1.964 0 50 GDAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnc(N3CCOCC3)nc2)C1=O 2356149939 YOJGBJIKUGQKOF-FQEVSTJZSA-N 387.484 1.320 0 50 GDAA COCCCNC(=O)c1sc2ncnc(NCCN3CCOCC3)c2c1C 20118771 FZTNMIRVNDJWSD-UHFFFAOYSA-N 393.513 1.510 0 50 GDAA CCOC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 55562782 YLWSITBNIHEBLV-UHFFFAOYSA-N 385.420 1.853 0 50 GDAA Cn1nc([C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)n(-c2ccccc2)c1=O 67847808 UFCNWRDGRPOZHX-CQSZACIVSA-N 379.420 1.279 0 50 GDAA CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(Cc3cccc4c3OCO4)C2)n1 328655985 YWXYAHKSGLTKAQ-INIZCTEOSA-N 385.468 1.683 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccn2)CCO1 328622290 BBFRBJLSTWLXRM-QGZVFWFLSA-N 385.420 1.731 0 50 GDAA CCN1C(=O)CC[C@H](C(=O)Nc2n[nH]c3cc(F)ccc23)[C@@H]1c1cnn(C)c1 432150617 CMKKHHSBCYODCW-YOEHRIQHSA-N 384.415 2.374 0 50 GDAA CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O 332832272 SYLLQMFVMLYTTA-GLQYFDAESA-N 379.457 1.605 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCC(=O)N1CC1CC1 71765547 XRWLSZWYTHAIQO-QGZVFWFLSA-N 393.509 1.443 0 50 GDAA O=C(C[C@H]1CCc2ccccc2C1)N1CCC(N2CCS(=O)(=O)CC2)CC1 363912827 UCZCWXBJTDLKGI-KRWDZBQOSA-N 390.549 1.903 0 50 GDAA CCO[C@H](C)c1noc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 154907636 UDXBOFSTOSKYAB-CYBMUJFWSA-N 376.461 1.543 0 50 GDAA O=C(c1ccnc(OCC(F)F)c1)N1CCN(C(=O)c2ccccn2)CC1 130170395 RCVPTYJGQMMWKO-UHFFFAOYSA-N 376.363 1.719 0 50 GDAA CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3cn(CC(=O)O)nn3)c12 262695717 DNVCHJKDOFULTM-UHFFFAOYSA-N 384.396 1.830 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)c1 77376030 FPXAIZHAALAYJQ-VGYLUTEMSA-N 392.459 1.659 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc2C[C@@H]1C 176744573 RFHDMADZPAPXRB-XHDPSFHLSA-N 375.454 1.389 0 50 GDAA Cc1ccccc1N1CCC(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)CC1 223617074 XHJLKJQEALCTQA-QXCFHYIPSA-N 379.526 1.259 0 50 GDAA Cc1ccccc1-c1[nH]nc2c1CN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 19743218 XJOGEVBTYHJZKA-UHFFFAOYSA-N 375.396 1.282 0 50 GDAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN2C(=O)OC[C@@H]2C1 426360401 PJEOUUPJMICRBE-VIFPVBQESA-N 379.722 1.184 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC(Oc2cccnc2)CC1 95354869 IJZZNDNDAQGNMB-UHFFFAOYSA-N 382.468 1.064 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCc2ccsc2)c1)N1CCCNCC1 97347365 PYEXYJRAZCMGAQ-UHFFFAOYSA-N 379.507 1.662 0 50 GDAA Cc1nc(CCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n[nH]1 95510640 ZECSZXULOIRBDA-CYBMUJFWSA-N 397.526 1.324 0 50 GDAA CN(C)CCCn1ccnc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 95361772 DSMWFYBMMHSJLZ-UHFFFAOYSA-N 381.484 1.897 0 50 GDAA O=C(O)c1ccc([C@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)cc1 95391100 UWIUEGXIFQZIHU-INIZCTEOSA-N 396.465 1.606 0 50 GDAA CCc1ccccc1CN1CC[C@@]2(O)CCN(S(=O)(=O)N(C)C)C[C@H]2C1 91575405 WODUZYCJUSMBFQ-RTBURBONSA-N 381.542 1.314 0 50 GDAA O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)C1=NN2CCCN=C2N1 1328695505 CVPWMFSSRYLULL-UHFFFAOYSA-N 380.456 1.466 0 50 GDAA O=C(CCc1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940196467 NMRVHDVWPBJRCP-YLJYHZDGSA-N 375.421 1.812 0 50 GDAA CCCCn1c(Oc2cccc(C(=O)OC)c2)nc2c1c(=O)n(C)c(=O)n2C 37868560 PQTGJFDMVYDEPR-UHFFFAOYSA-N 386.408 1.813 0 50 GDAA CCN(CCO)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O 299771806 VDRHMVDANRWPRM-JOCHJYFZSA-N 395.459 1.509 0 50 GDAA Cn1c(CCCNC(=O)N2CCN(c3cnccn3)CC2)nc2ccccc21 584890953 GDZSVXMVRUFQIT-UHFFFAOYSA-N 379.468 1.828 0 50 GDAA Cc1noc([C@]2(C(F)(F)F)CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 1875392007 XQRWVSOOMYEZME-LBPRGKRZSA-N 379.364 1.613 0 50 GDAA O=C(CN1C(=O)CC[C@@H](n2cc3c(O)cccc3n2)C1=O)NCc1ccccc1 1875358710 GXIZCDQFOHQENN-QGZVFWFLSA-N 392.415 1.748 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cnc3cccnn23)N1Cc1ccccc1 1875396552 LWVBIXISPAXYOG-IERDGZPVSA-N 395.463 1.111 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccc(N2CCCC2)nn1 1875403701 YWPOKICCMOHTPR-DAXOMENPSA-N 390.875 1.496 0 50 GDAA Nc1cc(C(=O)N2CCC[C@H](CNC(=O)Cc3ccc(F)cc3F)C2)[nH]n1 952985104 BPWANVFPBRKBQL-LLVKDONJSA-N 377.395 1.481 0 50 GDAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 952967230 HAFAQSNDALOVIR-INIZCTEOSA-N 398.463 1.897 0 50 GDAA COc1cc(OC)c(C(=O)CCC(=O)N2CCN(C)C(=O)[C@H]2C)cc1OC 952983819 QYFQTAGCOMEUDE-GFCCVEGCSA-N 378.425 1.364 0 50 GDAA O=C(Cc1ccc2c(c1)CCCC2)N1CCn2c(nn(CC(F)F)c2=O)C1 888091122 VCLSPHKKZFTOEO-UHFFFAOYSA-N 376.407 1.774 0 50 GDAA CN(C(=O)NCC1(c2cccc(F)c2)CCCC1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565530645 STIWAKIKORVOGQ-HOTGVXAUSA-N 384.473 1.437 0 50 GDAA O=C(N1CCCC1)N1CC[C@@]2(O)CCN(Cc3cccc4nonc34)C[C@H]2C1 1565508304 IBZMDBSEMJITOR-JXFKEZNVSA-N 385.468 1.697 0 50 GDAA CN(C)c1cc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)c2ccccc2n1 277596795 RYLCWVJAJNNGJV-CYBMUJFWSA-N 392.463 1.589 0 50 GDAA CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)c(F)c1 278535620 MCUXGJJFVKSLRD-UHFFFAOYSA-N 378.332 1.201 0 50 GDAA COCCNCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F 193363578 KOSIHEYKOHENPK-UHFFFAOYSA-N 389.674 1.756 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCCc2nc(C)cc(C(F)(F)F)n2)C1 1506401882 GSSMOBIXNKBCMI-GFCCVEGCSA-N 396.435 1.539 0 50 GDAA Cc1ccccc1N1CCC(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)CC1 1615733317 CPSLZAHDDDRLHF-APWZRJJASA-N 381.542 1.148 0 50 GDAA O=C(CN1CCCN(C(=O)CCc2ccncc2)CC1)NCc1cccs1 1772710487 WSCDKZLPLPTNAT-UHFFFAOYSA-N 386.521 1.926 0 50 GDAA COCc1noc(CN2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)n1 1772813699 PHFLTUBKWSGHGT-UHFFFAOYSA-N 396.451 1.954 0 50 GDAA Cc1cnc(C(=O)N2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cn1 1772705729 WCXIWMNDQVSKKL-UHFFFAOYSA-N 384.484 1.443 0 50 GDAA Cc1ccc(OCC(=O)N2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1 12038605 RKKUALIEQMPXQW-UHFFFAOYSA-N 399.495 1.365 0 50 GDAA COc1cc(CNCC2CCN(C)CC2)ccc1OC[C@@H](O)CN1CCCC1 12578424 NFBAGSSCGPWKPU-FQEVSTJZSA-N 391.556 1.962 0 50 GDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1)C(C)C 12597640 UWWNWPLFZXDDFE-LJQANCHMSA-N 375.513 1.693 0 50 GDAA Cc1ccccc1CC(=O)N1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 14982175 GNOQBQSTXTYWGW-UHFFFAOYSA-N 398.511 1.112 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)NCCNc1ccc(-n2cccn2)nn1 19924326 CFZLZAPJBUTETK-UHFFFAOYSA-N 388.453 1.370 0 50 GDAA CN(C)CC(=O)N[C@@H]1CC[C@H](NC(=O)c2cnc(Nc3ccccc3)nc2)C1 1857679230 ZESIPGYYYRMZEO-SJORKVTESA-N 382.468 1.549 0 50 GDAA O=C(c1cscn1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O 1857693219 NGZGFKUZHSLSFN-PBHICJAKSA-N 377.445 1.566 0 50 GDAA CN(C)C(=O)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCCCCC3)C2)C1 1857704825 HIUJGYHZOIRBFA-WIYYLYMNSA-N 379.545 1.720 0 50 GDAA Cc1nccc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857716629 DVJUEVQQAABVKU-UHFFFAOYSA-N 382.468 1.602 0 50 GDAA COc1ccnc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857723559 KXHTXBCAEGIRQA-UHFFFAOYSA-N 398.467 1.302 0 50 GDAA Cc1cccc(N2C[C@@H]3[C@H](CNS(=O)(=O)CC4CC4)[C@H]4CC[C@]3(C2)O4)n1 1875248879 VFGWHMXJLIJTPY-DODZYUBVSA-N 377.510 1.703 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C)c(N3CCNC3=O)c1)C2 248083347 DNCFWJJSDVRBOF-WMZOPIPTSA-N 386.496 1.707 0 50 GDAA O=C(NCCC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1ccc2n[nH]cc2c1 2325701014 UNVMPFZAMICLGN-AWEZNQCLSA-N 381.440 1.213 0 50 GDAA C[C@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@H]1CN=c1ccc2nnnn2[nH]1 2325794523 FONFISLGQCLSKP-CDOZLARXSA-N 383.500 1.664 0 50 GDAA CCn1cc(C(=O)N2CC[C@@H](F)C2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325795943 GOOXESYKJYGPCH-CYBMUJFWSA-N 390.434 1.754 0 50 GDAA Oc1nc(O)c2c(n1)CN(Cc1nnnn1-c1ccccc1Br)C2 2325829663 OZGUATYSCAONCU-UHFFFAOYSA-N 390.201 1.142 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 1131866 ROTMOIMCSDNSRF-UHFFFAOYSA-N 397.478 1.842 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@]2(CN(C)CC[C@@H]2O)C1 2356144373 UUCKSJFSSIJODG-RXVVDRJESA-N 381.480 1.766 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CNCCOC3)CC1)OCC2 2356144961 UHWZBKOOPSQUNP-MRXNPFEDSA-N 390.480 1.330 0 50 GDAA CC[C@H](NC(=O)c1ccc(-c2nc(=O)n(C)[nH]2)cc1)c1cn2cccnc2n1 2356145458 NPXLBBUTCFFUSH-AWEZNQCLSA-N 377.408 1.699 0 50 GDAA NC(=O)COCC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2356159305 VDDISRYOPOETOV-HXUWFJFHSA-N 397.475 1.453 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)C1=O 2356163971 YXGQSWUBSOCHOY-IBGZPJMESA-N 394.493 1.334 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)[C@@H]3CCn4ncnc4C3)CC1)OCC2 2356167482 QCHIDHXXCNJFGD-MRXNPFEDSA-N 382.464 1.940 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 6352181 VNOZDICGDYPIKV-UHFFFAOYSA-N 375.450 1.983 0 50 GDAA Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCO 6665080 SJXBMDUTJMMJIU-UHFFFAOYSA-N 385.399 1.028 0 50 GDAA COc1cc(OC)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 225494788 GVBQIVZORDICRA-UHFFFAOYSA-N 398.872 1.658 0 50 GDAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H]1COc3ccccc3O1)C2=O 247995299 AYMDGAPGWADNTD-CKNLXJGOSA-N 387.436 1.443 0 50 GDAA O=C(O)Cc1cc(C2CCN(C(=O)Cc3ccc4c(c3)NC(=O)CO4)CC2)n[nH]1 67820787 OSVZJBQJPCESCY-UHFFFAOYSA-N 398.419 1.316 0 50 GDAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 328594172 WJDWWOMLXJQVQT-GFCCVEGCSA-N 397.384 1.262 0 50 GDAA Cn1ccnc(N2CCC[C@H](NC3CCN(Cc4cccnc4)CC3)C2)c1=O 328655640 YPDYEBUWXQIISK-IBGZPJMESA-N 382.512 1.398 0 50 GDAA O=C(CCn1cnnn1)N1CCCn2nc(-c3nc4ccccc4[nH]3)cc2C1 67841549 JVUBNQCOYWKECA-UHFFFAOYSA-N 377.412 1.236 0 50 GDAA CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(N)=O 2777995 WDSMJPXEDXSTBP-UHFFFAOYSA-N 387.307 1.694 0 50 GDAA NC(=O)c1cccnc1N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71764270 NVDSRVOLRSFYBZ-MRXNPFEDSA-N 385.512 1.484 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 71422321 IUUYIFTZNBNDRU-IBGZPJMESA-N 390.572 1.654 0 50 GDAA CC(C)CN1C[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)CCN2C1=O 330316799 QCVAIVJLGWYDSA-NSHDSACASA-N 375.458 1.146 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3ccncc3)[C@H]3CS(=O)(=O)C[C@H]32)o1 77376670 BGVCHCZCHQZNJM-SJORKVTESA-N 375.450 1.107 0 50 GDAA O=S(=O)(N[C@@H]1CCCN(Cc2ccccn2)C1)N1CCc2ccccc2C1 72157140 GLURJDTXUUJBHN-HXUWFJFHSA-N 386.521 1.939 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]2C(=O)OC)cc1 253420761 DGAOSFLQMUJVQA-HOTGVXAUSA-N 382.482 1.533 0 50 GDAA CCc1ccc(C(=O)N2CCC(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)CC2)o1 152682125 DGKLZKKQGWDXLO-FUHWJXTLSA-N 375.469 1.236 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)CCn3cccc3)CC2)C1 71498430 ULMNOFPYTUYZTR-GOSISDBHSA-N 390.528 1.344 0 50 GDAA Cc1cccc(-c2ncc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)cn2)c1 14978379 UUFIGVZRCZIHCS-NHCUHLMSSA-N 382.508 1.844 0 50 GDAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)CN1C(=O)COc2ccccc21 262322085 CXBMRZZYHMWGEB-UHFFFAOYSA-N 384.388 1.534 0 50 GDAA CC(C)CN(C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)OC1=O 72457883 JILHZFJZPCTCQY-INIZCTEOSA-N 394.516 1.056 0 50 GDAA O=C(CN1CCCS(=O)(=O)CC1)N[C@@H](c1ccccc1)c1nccs1 375904230 QVQKMOIKSZUDMO-INIZCTEOSA-N 379.507 1.469 0 50 GDAA C[C@H](C(N)=O)N(C)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 77320106 UTXBFPXJQDRONV-CYBMUJFWSA-N 393.447 1.159 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)CCn2ccccc2=O)CC1 77436651 JVTDIIXCKIEQKZ-UHFFFAOYSA-N 386.500 1.318 0 50 GDAA Cn1cnc2c(C(=O)N3CCOC[C@H]3c3ncnn3-c3ccccc3)ccnc21 288044769 DPEZFZQFUQMFTM-INIZCTEOSA-N 389.419 1.763 0 50 GDAA CN(C)c1nc(C2CC(N)C2)cc(N2CCN(C3CCSCC3)CC2)n1 223225045 OVVTUCMUUWVMAW-UHFFFAOYSA-N 376.574 1.765 0 50 GDAA Cc1ccc(-n2nc(C(=O)N3Cc4ccccc4[C@H](O)C3)c(O)cc2=O)cc1 82126266 RJKUIBKJBZKLLJ-GOSISDBHSA-N 377.400 1.936 0 50 GDAA CCNC(=O)c1ccc(-c2cccc(C(=O)NCCS(C)(=O)=O)c2)nc1 426424395 SHBCDXALAIDVRF-UHFFFAOYSA-N 375.450 1.273 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)ccc1N1CCOCC1 82039561 SCQBWELSZJCAGO-QGZVFWFLSA-N 382.464 1.935 0 50 GDAA N=C1NC(=O)C2(CCN(C(=O)NCCCN3CCCc4ccccc43)CC2)N1 426387010 COEVMTWXRYAYMR-UHFFFAOYSA-N 384.484 1.028 0 50 GDAA CN(C)C(=O)c1cncc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)n1 426649665 MOQPMUTWDDXJFW-KRWDZBQOSA-N 379.464 1.766 0 50 GDAA CC[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1cn2cccnc2n1 92066535 JHRRZPXZPGQMLG-AWEZNQCLSA-N 378.392 1.667 0 50 GDAA CN(C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CSc1ccccn1)CC2 91625053 FHWBKZSENNNJSB-CVEARBPZSA-N 379.526 1.494 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)N2CCN(Cc3nccn3C)CC2)c1 96166402 XIIWPBVNUASADP-UHFFFAOYSA-N 381.444 1.054 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)s1 23232332 LDCHUQUPNCNGDS-UHFFFAOYSA-N 383.543 1.943 0 50 GDAA Cc1nnc(-c2cccc(NC(=O)N3CCN(S(C)(=O)=O)CC3)c2)s1 96150629 FGKUPSTYZCUFTH-UHFFFAOYSA-N 381.483 1.623 0 50 GDAA Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)ccc1=O 91526760 ILXIETQKCXDYDZ-RBUKOAKNSA-N 380.492 1.950 0 50 GDAA COc1cc(N2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)nc(N)n1 95391932 YDAVBNGGWTUHPK-UHFFFAOYSA-N 397.483 1.575 0 50 GDAA OC[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(-c3cc[nH]n3)s2)C1 91635793 KEEAABGLUQOPKS-HZPDHXFCSA-N 376.526 1.901 0 50 GDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 97815594 FIKJSTYUGUSYGM-UHFFFAOYSA-N 390.509 1.292 0 50 GDAA Cn1cncc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95501005 XEVNUHZUKQZXSW-CWFSZBLJSA-N 380.448 1.851 0 50 GDAA Cc1cc(C(=O)N[C@H]2C[C@H](c3cc(O)ncn3)C2)cc(S(N)(=O)=O)c1C 253534909 UGPPZXNGBIBNDR-AULYBMBSSA-N 376.438 1.122 0 50 GDAA CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n[nH]1 641893042 KCUFEIBJFHGTNO-UHFFFAOYSA-N 392.481 1.518 0 50 GDAA COc1cc(C(=O)N2CCC(CNC(=O)c3nn(C)cc3Cl)CC2)ccn1 824851806 IRGDBDJTGBIMMP-UHFFFAOYSA-N 391.859 1.759 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 828865457 PYUZSDNQAAQCGR-MGPQQGTHSA-N 393.465 1.135 0 50 GDAA NC(=O)c1csc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 826626731 PJMXPWNHHKZSAC-CQSZACIVSA-N 397.497 1.929 0 50 GDAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C 828569203 LWUYWEMQRDPFMH-RDBSUJKOSA-N 386.489 1.793 0 50 GDAA C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@@H](O)c1ccc(F)cc1 269625119 YABCHRDIGRBBFF-RNQAXOLUSA-N 391.443 1.865 0 50 GDAA O=C(NC[C@H]1CCNCCC1(F)F)c1cc(C(=O)O)n(-c2ccccc2)n1 1875298713 LEOBIPZSDXJROW-GFCCVEGCSA-N 378.379 1.935 0 50 GDAA O=C1CC[C@H](N2Cc3cc(-n4cc(-c5cnsc5)nn4)ccc3C2=O)C(=O)N1 1875355180 CJNKPOGPUYPBAV-HNNXBMFYSA-N 394.416 1.152 0 50 GDAA C=CC(=O)NCCC(=O)N1CC[C@]2(C1)C(=O)Nc1cc(Br)ccc12 1875380855 CBCQKRCZTQITEJ-QGZVFWFLSA-N 392.253 1.564 0 50 GDAA C[C@@H](C(=O)NS(=O)(=O)N1C[C@H]2CCC[C@H]2C1)n1ccc(C(F)(F)F)n1 1875312471 DMGMZVOSPVKTLL-GARJFASQSA-N 380.392 1.556 0 50 GDAA Cn1nc2c(c1S(=O)(=O)N1CC[C@@](CN)(C3CCOCC3)C1)CCCC2 1875392812 VLHICPGEPALKCX-SFHVURJKSA-N 382.530 1.065 0 50 GDAA CN1CCN(C(=O)c2cc(NC(=O)N3CCC(c4ccon4)CC3)ccn2)CC1 888101693 AYDOLCFSTHFMBW-UHFFFAOYSA-N 398.467 1.869 0 50 GDAA Nc1nc(CCC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(CO)cc2)cs1 1565509930 QKNBJORLXDOCDR-HOTGVXAUSA-N 377.466 1.503 0 50 GDAA Cc1nc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(-c2ccccc2)o1 273594349 NITJZSNHEXESGM-CYBMUJFWSA-N 378.454 1.295 0 50 GDAA O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCN(c2ncc(F)cn2)CC1 273702983 PADGZBLRLXUYSW-SFHVURJKSA-N 397.454 1.498 0 50 GDAA Cc1ccn(C[C@](C)(O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(=O)c1 279597457 QUDYDGFNBSHJFO-KNQAVFIVSA-N 383.492 1.689 0 50 GDAA C[C@@H](c1nnnn1C1CC1)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 191992042 CJJKXPCAPVKIBQ-HNNXBMFYSA-N 375.521 1.478 0 50 GDAA COC[C@H]1[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCO[C@H]21 1074516523 DHXJLXHOHRVMCT-ZOBORPQBSA-N 381.372 1.913 0 50 GDAA Cc1cc(C[C@H]2CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C[C@@H]2O)on1 1616079859 ORBONGPWGPWJGM-PXNSSMCTSA-N 384.480 1.410 0 50 GDAA CCC(CC)C(=O)N1C[C@H]2CN(S(=O)(=O)CC3CCCC3)C[C@@]2(CO)C1 1772812991 UPAWPJUECASKJG-PKOBYXMFSA-N 386.558 1.695 0 50 GDAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccc(N4CCN(C)CC4)cc3)C2)CC1 11938312 SNKNEMHRHCAIQX-HXUWFJFHSA-N 399.583 1.727 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1)c1ccc(F)cc1 12481473 NZLIMRFHDIYWDE-OAHLLOKOSA-N 375.444 1.807 0 50 GDAA COc1ccccc1-n1cc(CN2CCN3C(=O)[C@H](C(C)C)NC(=O)[C@H]3C2)cn1 14743286 WVQURHOYVMMWPD-MJGOQNOKSA-N 397.479 1.048 0 50 GDAA CCOc1ccccc1N1C(=O)C[C@H](Sc2nc(O)c(CC)c(=O)[nH]2)C1=O 18099730 HECHODIBAGIWRG-ZDUSSCGKSA-N 389.433 1.861 0 50 GDAA CC(C)Cc1nnc2n1C[C@@]1(CCN(C(=O)c3ccc4nn[nH]c4c3)C1)OC2 1857688483 MMJFUVIOTGVWQR-IBGZPJMESA-N 381.440 1.563 0 50 GDAA Cc1cnc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)COC[C@@H]2CCCCO2)[nH]1 1857689619 UDNHOYLPHPBXNH-PFRQMTDMSA-N 376.501 1.630 0 50 GDAA O=C1CCN(c2ccccc2C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)C(=O)N1 1857695809 YTNRNBFBTIJQGV-UHFFFAOYSA-N 393.447 1.974 0 50 GDAA O=C(CCn1cccn1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857721715 CDGSDQALSBUFNT-UNMCSNQZSA-N 398.507 1.699 0 50 GDAA O=C(O)CCN1C[C@@H]2[C@H](CNC(=O)C3(c4ccccc4)CC3)[C@H]3CC[C@]2(C1)O3 1857731501 SSISFYOKOGGCOA-KCXPTXFHSA-N 384.476 1.789 0 50 GDAA Cc1cc(C)n(-c2cncc(N3CCN(CC(=O)NC4CCCCC4)CC3)n2)n1 301184817 JFJQIKYHICZPNM-UHFFFAOYSA-N 397.527 1.850 0 50 GDAA CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 117155007 ONYFXMVJOJRZEB-MRXNPFEDSA-N 376.501 1.886 0 50 GDAA COc1cc(C)c(CN2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1C 11813038 RMZRCOBPCWUAHP-QGZVFWFLSA-N 387.484 1.463 0 50 GDAA Cc1ncsc1CCC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 247951186 LUAJIHSFBGASCJ-KGLIPLIRSA-N 386.543 1.113 0 50 GDAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2cn3c(n2)CCCC3)c1 264438022 PWLAODHWCLVSID-UHFFFAOYSA-N 397.522 1.718 0 50 GDAA CCCS(=O)(=O)N1CCC(NC(=O)N2Cc3ccc(OC)cc3C2)CC1 847282750 ZDMQIKUTILHQRA-UHFFFAOYSA-N 381.498 1.925 0 50 GDAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 1110257 FYEUDZIHMNXWAA-NRFANRHFSA-N 397.383 1.786 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCc1ccc(F)cc1 12467835 VDJBPGAZRVMGPB-HXUWFJFHSA-N 381.451 1.800 0 50 GDAA COC(=O)c1cc(C)sc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 17081751 BQWTZTXDJUOAAG-UHFFFAOYSA-N 399.519 1.977 0 50 GDAA O=C(c1nc2ccccn2c1CNCCN1CCCC[C@@H]1CO)N1CCCC1 20600425 ACIMOWBZFZRINY-QGZVFWFLSA-N 385.512 1.507 0 50 GDAA C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@H]21 44028811 KEDYTOTWMPBSLG-XBKGKQEASA-N 388.464 1.905 0 50 GDAA biogenic O=C(NCCc1nc(-c2ccccn2)no1)c1ccccc1N1CCOCC1 65457244 KWALUKDHSLBPOB-UHFFFAOYSA-N 379.420 1.941 0 50 GDAA O=C(C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1)c1ccco1 67677620 IMHXVFJXAQFGLN-UHFFFAOYSA-N 380.404 1.802 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3cnc(N)nc3)C2=O)c1 67688574 AMPUOAQBNUJFRT-HXUWFJFHSA-N 385.468 1.053 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccon1 72121860 BSILZLUWAUMGHN-YXMMZVCTSA-N 384.436 1.203 0 50 GDAA CS(=O)(=O)c1ccc(CN2CCN[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 72132021 MALBCQIGLBZVAZ-GOSISDBHSA-N 391.468 1.642 0 50 GDAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(-n2cnnc2)c1 72132901 QBJJDCQJFAPGSM-GOSISDBHSA-N 375.432 1.841 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCO[C@]2(CNCCOC2)C1 72166289 LKAXOKGSAQSGOL-HXUWFJFHSA-N 388.443 1.459 0 50 GDAA COc1ccc(CCC(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72412185 DUQRGHUWUMTAKI-MOPGFXCFSA-N 392.521 1.348 0 50 GDAA O=C(CCc1cc2n(n1)CCNC2)N1CCN(Cc2ccc(Cl)nc2)CC1 72429259 DFYOSRKAQHVYAG-UHFFFAOYSA-N 388.903 1.312 0 50 GDAA CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)C1CCSCC1 77387065 QWDZLLZQLXAWDI-OOSNJVJTSA-N 399.516 1.718 0 50 GDAA Cn1c(CCC(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77505740 GVXFMAWGBPLXSO-UHFFFAOYSA-N 390.509 1.913 0 50 GDAA CCc1nccn1CCC(=O)N1CC(=O)N(c2ccc3cn[nH]c3c2)C[C@@H]1C 82096513 HUAVIQDJTQLKNZ-AWEZNQCLSA-N 380.452 1.976 0 50 GDAA NC(=O)CN1C(=O)[C@]2(CCN(C(=O)CCc3ccncc3)C2)c2ccccc21 82109737 DXDRFKXXWMLWPZ-NRFANRHFSA-N 378.432 1.016 0 50 GDAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCN(C[C@@H](O)CN(C)C)CC1 91364969 KNIVODCUCQUYGB-SFHVURJKSA-N 386.540 1.702 0 50 GDAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@H]1CCC(=O)O 91519115 DRKLUFNCOAUSTD-OCCSQVGLSA-N 396.469 1.475 0 50 GDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(n(C)c1=O)CCCC2 91664675 LIZAJHUZEBDFJR-UHFFFAOYSA-N 378.432 1.773 0 50 GDAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92081143 KLUPDHZEAPSOSB-QGZVFWFLSA-N 396.495 1.741 0 50 GDAA CC(C)CN(C)C(=O)c1cccc(S(=O)(=O)NCCc2ncnn2C)c1 95386192 DBAFHZSKVJGNTG-UHFFFAOYSA-N 379.486 1.064 0 50 GDAA COc1cc(CN2CCC(F)CC2)ccc1OC[C@H](O)CN1CCC(O)CC1 95506965 XUAWZUIOXICIAL-LJQANCHMSA-N 396.503 1.826 0 50 GDAA CCOc1ncccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 95508513 MHGKEVAYRDKSPA-OAQYLSRUSA-N 388.512 1.887 0 50 GDAA N[C@@H]1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 132310083 XAZCMWKAQMCMQN-OAHLLOKOSA-N 399.308 1.265 0 50 GDAA O=C1NCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 156130323 DMGPUCQFGSHOEW-FQEVSTJZSA-N 398.507 1.021 0 50 GDAA O=C(CCn1c(=O)oc2ccccc21)NCc1ccnc(O[C@@H]2CCOC2)c1 163039281 JJDYYGOIIDNLRL-OAHLLOKOSA-N 383.404 1.864 0 50 GDAA CCCNC(=O)CN1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 172763344 VMOZGSCYSLONRC-UHFFFAOYSA-N 387.509 1.926 0 50 GDAA CCc1cc(N2CCC(NC(=O)N3CCN(c4cccnn4)CC3)CC2)ncn1 175471805 UHVQZFBLTMFTRD-UHFFFAOYSA-N 396.499 1.330 0 50 GDAA O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(-c2ccncc2)on1 177525157 BLHACCOSZGPKKW-UHFFFAOYSA-N 376.438 1.423 0 50 GDAA COc1cc(OC)cc([C@H](NC(=O)Cn2ccc(C)cc2=O)c2nccn2C)c1 194380137 LGYMYINLOOHKQN-FQEVSTJZSA-N 396.447 1.813 0 50 GDAA CCOC(=O)CNC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 201955751 SXJWEZQRUZYIRG-IBGZPJMESA-N 394.431 1.689 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H]1CC(=O)N(C2CCCC2)C1 223674033 FJHHHGGDBCQGKP-HNNXBMFYSA-N 378.494 1.758 0 50 GDAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CCc2nc(-c3ccccc3)no2)C1 244787564 PZLOQBSALVQEMT-HDJSIYSDSA-N 382.424 1.352 0 50 GDAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 247312910 KCUDJRMANMTPJE-DJIMGWMZSA-N 375.444 1.838 0 50 GDAA Cc1ccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c(C)c1 252480268 BZERQYRIYJKKQO-OAHLLOKOSA-N 386.452 1.145 0 50 GDAA CC1(C)CO[C@@H](c2ccccc2Cl)CN1CCS(=O)(=O)CC(=O)O 262311322 NXICPXCKQLYOPW-CQSZACIVSA-N 375.874 1.991 0 50 GDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 262708477 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CC(C)Cc1nc([C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n(CCO)n1 2356155484 FNOYRNXCWTWXNQ-MOPGFXCFSA-N 385.468 1.668 0 50 GDAA CN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)C1=O 2356170891 ZIJMDNCKQVIQFS-MRXNPFEDSA-N 386.857 1.814 0 50 GDAA COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 6583426 GSZPDSJCOYDRPB-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA CC(C)NS(=O)(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 225439918 MTJHVNYRXDBICR-UHFFFAOYSA-N 385.877 1.088 0 50 GDAA CCC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)[C@H]2CS(=O)(=O)C[C@H]21 72477141 AJXAYCNGODEKTB-KGLIPLIRSA-N 393.490 1.156 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CC3(Cn4cnnn4)CCCCC3)ccc21 409414891 XXRLBQYJATUZRU-UHFFFAOYSA-N 383.456 1.843 0 50 GDAA CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cnc(C)cn2)cc1 22059095 IWLIZOPQUBXCKO-UHFFFAOYSA-N 392.437 1.192 0 50 GDAA in-vitro CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 43214888 QNMSKVVHXBUWAC-QGZVFWFLSA-N 380.400 1.573 0 50 GDAA CN1CCC(CNC(=O)c2ccc(-n3cncn3)nc2)(N2CCCCC2)CC1 172850339 UMQJZKSQVWZFQS-UHFFFAOYSA-N 383.500 1.342 0 50 GDAA O=C(C[C@@H]1COCCN1C(=O)c1cccs1)NCCSc1cn[nH]n1 72430260 MLDZZMHDRXOXLM-LLVKDONJSA-N 381.483 1.006 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCN(C)CC2)[C@H]3C1=O 77503394 WTMKHBUTNXYQRZ-NTLWEQJWSA-N 375.513 1.369 0 50 GDAA Cc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cc1N1CCNC1=O 77299887 VALNXAYAWKTMPJ-UHFFFAOYSA-N 384.480 1.999 0 50 GDAA O=C([C@H]1CCCO1)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77380276 ZJINFBZVKQOIRF-GOSISDBHSA-N 387.461 1.946 0 50 GDAA Cc1nn(C)c(C)c1CN1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328606080 QITFVXKKWLWTBN-SFHVURJKSA-N 399.543 1.183 0 50 GDAA CN(Cc1nccn1Cc1ccccc1)C(=O)Cn1nc2n(c1=O)CCCCC2 363270728 CHDSCGKRRCSPCU-UHFFFAOYSA-N 394.479 1.675 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C(F)(F)F)nn3)C2)n(C)n1 332172139 LUWXPFZIZRPRPY-NSHDSACASA-N 383.378 2.328 0 50 GDAA CCn1ccnc(N2CCC(NC(=O)N[C@@H]3COc4ccccc4C3)CC2)c1=O 333069230 UQGGNZYLMGENDY-KRWDZBQOSA-N 397.479 1.535 0 50 GDAA Cn1cnc2cc(C(=O)N3CCc4ncnc(N5CCOCC5)c4C3)ccc21 372195190 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CN1CCN([C@H]2CCN(C(=O)CCc3cccnc3)C[C@H]2CCC(=O)O)CC1 95389541 YXIOENQSTOPDLK-MOPGFXCFSA-N 388.512 1.344 0 50 GDAA CN1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ncc(F)cc2F)CC3)C1 95519862 SBONMMRCSFBLHQ-OAHLLOKOSA-N 392.450 1.909 0 50 GDAA COC1CCN(S(=O)(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)CC1 95362224 DIHYLKYDQPWSCB-MRXNPFEDSA-N 382.482 1.920 0 50 GDAA Cc1nc(CCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2c1CCC2 95509120 CDNGROVTZSSOBG-UHFFFAOYSA-N 375.454 1.285 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCN(Cc4c[nH]cn4)CC3)[C@H](CO)C2)o1 97660655 VYXADIHTRVSVIQ-HNNXBMFYSA-N 388.468 1.748 0 50 GDAA O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc(F)cc1 95518314 GSBBNYLKDLGDTE-INIZCTEOSA-N 384.411 1.115 0 50 GDAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(Cl)cc(OC)c2)C1 91915036 ZMHMRYYZDHNRLM-CABCVRRESA-N 384.904 1.997 0 50 GDAA CC(C)NC(=O)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95358942 FJLYGDJRAXOLRS-KFKAGJAMSA-N 385.464 1.329 0 50 GDAA CC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H](C(N)=O)N1C 248104785 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O=C(NCc1ccccn1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 11859363 KCGGHKMZTZXBRQ-UHFFFAOYSA-N 379.825 1.732 0 50 GDAA COc1ccc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1OC 13008798 WJTPPVMWHFBMST-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(Cl)cc3)C[C@@H]12 14750037 BQCOQLFYKDXRMD-WDSOQIARSA-N 399.878 1.846 0 50 GDAA O=C1CN(C(=O)CC[C@]2(Cc3cccc4ccccc34)CCC(=O)N2)CCN1 14882773 FDQJBSOIUFNLHG-QFIPXVFZSA-N 379.460 1.770 0 50 GDAA O=C1C[C@H](C(=O)Nc2ccccc2)NC(N2CCN(Cc3ccccc3)CC2)=N1 19859450 SWTXAJSGUJNKFS-LJQANCHMSA-N 391.475 1.687 0 50 GDAA Cn1ncc2c1CCN(C(=O)c1ccc(Cn3cc(Cl)cn3)cc1)[C@@H]2C(N)=O 1857530050 IDSCZJJCNJTILB-KRWDZBQOSA-N 398.854 1.543 0 50 GDAA O=C1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)N1Cc1nnc2n1CCC2 1857693763 LHCQFANOSLQMBP-GJZGRUSLSA-N 381.436 1.328 0 50 GDAA CCc1nc2ccccc2n1CCC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857714795 MEBLXWVWIUPSDI-UTKZUKDTSA-N 382.464 1.939 0 50 GDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CC[C@@H](c3ccc(F)cn3)C1)NS2(=O)=O 2325804955 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COc1cc(C(=O)O[C@@H](C)c2cnnn2C)cc(NS(C)(=O)=O)c1OC 1875343095 PUOFAIOKILIQMO-VIFPVBQESA-N 384.414 1.122 0 50 GDAA CC1(NC(=O)c2ccc(C(N)=O)cn2)CCN(c2ccc3nccnc3n2)CC1 1875309726 KXGAIOVGMVRSBZ-UHFFFAOYSA-N 391.435 1.308 0 50 GDAA NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H]1C[N@@]1CC1CC1 1875384632 HRZQPZKVGITGJB-VBKZILBWSA-N 379.482 1.043 0 50 GDAA O=C([C@@H]1CCCO1)N1CCC(NCc2nncn2CCc2ccccc2)CC1 952965783 CQQWGEJYJLVYSJ-IBGZPJMESA-N 383.496 1.780 0 50 GDAA O=C(c1cc[nH]n1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(CC2CCC2)CC1 888103455 IHYGXLCHKGCQEY-ZWKOTPCHSA-N 386.500 1.283 0 50 GDAA CN1CC[C@H](CNC(=O)[C@@]2(O)CCc3cc(Br)ccc3C2)CC1=O 888100388 GOHVZZRZPJWOHI-KPZWWZAWSA-N 395.297 1.654 0 50 GDAA CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)CCSC)C1 1775994890 ONYFTJXOKAITIP-KBPBESRZSA-N 376.544 1.014 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 275521017 DXQLMKQRIYUCCF-SOLBZPMBSA-N 385.468 1.639 0 50 GDAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)cc1NS(C)(=O)=O 278236159 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COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 16448528 JDMLPASYQBRXOU-UHFFFAOYSA-N 391.859 1.584 0 50 GDAA biogenic CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CC(=O)N[C@@H](C)C3)cc12 1857693757 LBXCLTQFBPJEFP-LBPRGKRZSA-N 391.493 1.119 0 50 GDAA N[C@@H]1C[C@H](c2nc(-c3ccccn3)nn2-c2ccc3c(c2)OCCO3)C[C@H]1O 1857735903 DBSGGYKZQSEADZ-JGGQBBKZSA-N 379.420 1.666 0 50 GDAA COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccnc3ccccc23)[C@H]2C(=O)N(C)C(=O)[C@H]21 210434349 WDFOXTHDTOWGSU-IAGYGMIVSA-N 381.432 1.678 0 50 GDAA NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 237806853 GKQQLYNPBLYKBK-KOLCDFICSA-N 391.287 1.626 0 50 GDAA Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(CN3CCCNCC3)c2)n1 23153309 CCXZGMXDCWBDMG-UHFFFAOYSA-N 376.464 1.998 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O 265332504 UFZJLJDDMZRPIO-IAGOWNOFSA-N 387.480 1.815 0 50 GDAA CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 900666371 UJRBPTRCFWBUQV-OGHNNQOOSA-N 382.302 1.599 0 50 GDAA Cn1ncc(Br)c1C(=O)NCCCn1cc(Br)cn1 2778233 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CN(C)S(=O)(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 67602079 WLTKZJCZEKAYJK-INIZCTEOSA-N 395.525 1.923 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(c1cncc(C(=O)N3CCCCC3)n1)C2 65403365 RNLQYVUFXQOHES-UHFFFAOYSA-N 384.440 1.496 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1C 229713755 QEDXWKUOSWYLPG-ROUUACIJSA-N 379.526 1.667 0 50 GDAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@H]2CC(=O)N(C4CC4)C2)CC3)c1 12303058 RGLVEMXJFGAYNO-AWEZNQCLSA-N 380.448 1.981 0 50 GDAA Cc1ccc2nc(NC(=O)CN3CCN(C(=O)[C@H]4CCCO4)CC3)sc2c1 124183757 CKIAANOPJZHDNH-OAHLLOKOSA-N 388.493 1.866 0 50 GDAA Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@H](c3n[nH]cc3CN3CCCC3)C1)CC2 329728753 PBIWQGZYJWSMDV-HOTGVXAUSA-N 397.527 1.645 0 50 GDAA CCOc1cc(NC2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)ncn1 435352029 YVKQRSDBWYIGPC-INIZCTEOSA-N 399.499 2.337 0 50 GDAA C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)N1CCN(C)CC1 363117968 OYHIGKAYCRJZDI-ICSRJNTNSA-N 386.540 1.220 0 50 GDAA C[C@@H](Cn1cccn1)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 283602757 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CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC13CCC3)CC2 91808459 DXTZCLUOAZVKSX-CYBMUJFWSA-N 378.498 1.235 0 50 GDAA CC(C)c1nc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)cs1 91876709 PIQCGYJGQVGWFO-CABCVRRESA-N 378.542 1.773 0 50 GDAA Cc1cccc2nc(C(=O)N3CCC[C@]4(CCC(=O)N(CCO)C4)C3)c(F)n12 95520442 ADWOFEFJFVREBJ-HXUWFJFHSA-N 388.443 1.619 0 50 GDAA CN(C)S(=O)(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)c1ccccc1 96130251 BBIIZZARIORGCB-SFHVURJKSA-N 376.478 1.726 0 50 GDAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1nnc(N)s1 97179325 KQSRBPYOMNWOFD-MRVPVSSYSA-N 376.442 1.904 0 50 GDAA Cc1cc(N2CCN(Cc3nnc(-c4cccnc4)o3)CC2)n2ncnc2n1 244866356 VUQQZKHLXQEIFJ-UHFFFAOYSA-N 377.412 1.200 0 50 GDAA CCc1cc(C(=O)N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)cc(O)n1 253535357 MOCOGULNBNQOPY-JNSHFYNHSA-N 381.440 1.399 0 50 GDAA COc1cc(CN2CC(c3ccccn3)C2)ccc1OCC(=O)N1CCOCC1 824609119 JMPVGEGHJZKOKX-UHFFFAOYSA-N 397.475 1.927 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)NCc1ccccc1-n1ccnc1 828026931 JGAZPYXPNLIEHU-UHFFFAOYSA-N 375.392 1.543 0 50 GDAA CN(C)CC(=O)Nc1cccc(CNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1 1875270324 DQRAKRUOCJKNBK-SFHVURJKSA-N 384.484 1.607 0 50 GDAA Cc1csc(C(C)(C)NC(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)n1 1875393032 DJSWYXNIXAHVQW-ZDUSSCGKSA-N 397.526 1.095 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 1875371359 YBQMNJUNEAPIGH-OAHLLOKOSA-N 391.493 1.367 0 50 GDAA CC(C)(CNC(=O)COCCCc1cn(-c2c(F)cccc2F)nn1)C(=O)O 1875353953 LUSPSMRVHYKPIC-UHFFFAOYSA-N 396.394 1.722 0 50 GDAA Cc1nc(C(N)=O)nc(N2CC[C@@H](NCc3cccc4c3NCCC4)C2)c1C 1875397418 ZBXTXYQRVFTDHX-QGZVFWFLSA-N 380.496 1.919 0 50 GDAA COCC(=O)Nc1cc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)ccc1OC 952984147 OLTMYNYEVLYRSC-ZDUSSCGKSA-N 392.456 1.612 0 50 GDAA O=C(CCC(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1)Nc1nncs1 952970775 WMTFDJSEWSGXMT-ZDUSSCGKSA-N 379.486 1.508 0 50 GDAA Cc1cccc(C(=O)NC[C@@H]2CN(c3ccnc4c3cnn4C)CCCO2)n1 888103564 NDFPKLHYYMRQPH-OAHLLOKOSA-N 380.452 1.697 0 50 GDAA CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@](C)(C(F)F)C2)C1=O 888101620 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O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14532364 SBLCPMZEMTWWHF-GDLCADMTSA-N 396.369 1.801 0 50 GDAA CCNc1cc(C(=O)N(C)Cc2nonc2C)cc(S(=O)(=O)NC(C)C)c1 14749722 WYVTVDJSXLUGIP-UHFFFAOYSA-N 395.485 1.769 0 50 GDAA CNC(=O)CCCn1cc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)cn1 1857682330 VMIFQMSPCGHVIC-UHFFFAOYSA-N 378.440 1.922 0 50 GDAA Cc1nc2c(c(=NCc3ccccc3)[nH]1)CCC21CCN([C@H](C)C(N)=O)CC1 1857685558 XSRIJIUCIXKKCL-OAHLLOKOSA-N 379.508 1.973 0 50 GDAA Cc1cc(-c2nnc3n2C[C@]2(CCN(C(=O)Cc4[nH]cnc4C)C2)OC3)on1 1857689263 LOCKNVVEIIICAN-GOSISDBHSA-N 383.412 1.017 0 50 GDAA CCN1CCC2(CC1)OCCc1cc(C(=O)N[C@@H]3CCCNC3=O)sc12 1857694264 IIHSUDDDYMPJNL-CQSZACIVSA-N 377.510 1.640 0 50 GDAA Cn1nccc1-n1nc(CC(N)=O)nc1CCCc1nc2ccccc2s1 1857724648 LMLBYGXNVXOBNS-UHFFFAOYSA-N 381.465 1.814 0 50 GDAA CS(=O)(=O)c1ccc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1 1857739288 NRFOXOKJLWTXFE-XRXFAXGQSA-N 387.501 1.659 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cnn(C)c2)CC[C@@H]1NC(=O)c1cc[nH]c1 1875242109 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383.481 1.926 0 50 GDAA CNC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@@H]2O)c1 1857531329 JJHPNGWJLZARCM-RLCCDNCMSA-N 376.844 1.466 0 50 GDAA CN1C(=O)NCC12CN(c1nnnn1Cc1ccc(-c3ccccc3)cc1)C2 1857694216 FRGLZFURFUIFIA-UHFFFAOYSA-N 375.436 1.602 0 50 GDAA Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 416480274 PXKBNHUTJFDYKT-LBPRGKRZSA-N 380.919 1.693 0 50 GDAA Cc1nnc([C@H]2CN(S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCO2)o1 328611956 NGUUVPYQPROBOC-CQSZACIVSA-N 383.474 1.610 0 50 GDAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)OCC)C2=O)cc1 85901848 CSAAYKIJLWBUTO-UONOGXRCSA-N 394.449 1.119 0 50 GDAA COc1cc(-c2cc(=NC(=O)CCn3ccccc3=O)[nH][nH]2)cc(OC)c1OC 2100483523 BEMXFSNLWFIDBO-UHFFFAOYSA-N 398.419 1.715 0 50 GDAA O=C(C[C@H]1CN(Cc2cnc3cnccn23)C2(CCC2)CO1)N1C[C@@H]2OCC[C@@H]21 2325785170 HBJITVYEAFMIBU-BZSNNMDCSA-N 397.479 1.243 0 50 GDAA CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCN(C)C(=O)c1ncc(F)cc1F 2325794354 ZEGNASPUJPVSED-MRXNPFEDSA-N 398.454 1.831 0 50 GDAA 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DPGNCWYQVWUMBC-CQSZACIVSA-N 376.388 1.362 0 50 GDAA CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)C1CCSCC1 77387054 QWDZLLZQLXAWDI-NYUBLWNDSA-N 399.516 1.718 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCO1 262910134 CPHFGDMYECBAOK-ZDUSSCGKSA-N 380.198 1.560 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 72437156 FHCYRMHKSIWGPO-CYBMUJFWSA-N 393.431 1.840 0 50 GDAA COc1ccc(CN2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 72419956 UOMVDGXFIIMGPX-ZWKOTPCHSA-N 394.537 1.860 0 50 GDAA C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(S(=O)(=O)N(C)C)cc1 376644166 RHZHAIVHLZKXKC-CQSZACIVSA-N 380.514 1.488 0 50 GDAA Cn1cnc(CCN2Cc3c(C(=O)NCc4ccccn4)cccc3C2=O)c1 72421062 FYDSYRWPDDOCLT-UHFFFAOYSA-N 375.432 1.944 0 50 GDAA COCCn1cnnc1CN(C)C(=O)Nc1cc(F)c2c(c1)NC(=O)CO2 426746056 FVMJRNLUJODEJA-UHFFFAOYSA-N 378.364 1.058 0 50 GDAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cnc2c(O)cccn2c1=O 426534497 RSOVLXGATGSYQT-MRXNPFEDSA-N 378.432 1.529 0 50 GDAA COCCn1c(CN2CCSCC2)cnc1S(=O)(=O)CC(C)(C)C 19791429 WLIFQYCNCBCACO-UHFFFAOYSA-N 375.560 1.898 0 50 GDAA NC(=O)NOCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20218726 KSIARTKPZLQAGO-UHFFFAOYSA-N 381.742 1.002 0 50 GDAA Cc1cc(N2CCC(N[C@@H](Cc3ccccc3)C(N)=O)CC2)nc(N(C)C)n1 95519538 BGVRTEFIUKIJQQ-SFHVURJKSA-N 382.512 1.506 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N(C)C[C@@H](O)CO)csc3C2)nc1 426440289 NZXXNNKFIUAJNR-MRXNPFEDSA-N 389.521 1.689 0 50 GDAA CCCn1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c(C)n1 91908520 WXVPABYOBBRPRS-FQEVSTJZSA-N 378.517 1.537 0 50 GDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 239203280 SBKWUPVMXCVGAR-XJNFMUPTSA-N 390.461 1.042 0 50 GDAA CCCN(C)C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 95512939 CGTJEIQMFWQARE-UHFFFAOYSA-N 383.514 1.818 0 50 GDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 299506743 RZERKSIYFSYBHW-OAQYLSRUSA-N 398.463 1.890 0 50 GDAA Cn1cc(C(=O)N2CCO[C@@H]3CC[C@H](C(=O)NC(C)(C)C)C[C@H]32)ccc1=O 1940197526 XHFIDNJBWDOSOE-NUEKZKHPSA-N 375.469 1.310 0 50 GDAA CSC[C@H](C)N1CCOC2(CCN(C(=O)CCCn3cncn3)CC2)C1 824887342 OHUQTGISYVVWGH-INIZCTEOSA-N 381.546 1.503 0 50 GDAA Cc1ccc2nc(C(=O)NCCn3nc(O)c4ccccc4c3=O)c(F)n2c1 670461270 BQPRXMPKQILTJN-UHFFFAOYSA-N 381.367 1.627 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)C1 952974230 BGGXGBSJYJPPHC-SFHVURJKSA-N 399.532 1.937 0 50 GDAA O=C(O)c1ccc(-n2cc(COCCCNC(=O)c3ccns3)nn2)cc1 1875355245 DYDULFVCPYTHIG-UHFFFAOYSA-N 387.421 1.759 0 50 GDAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2NCc2cccc4nonc24)C3)cc1 952860713 SUCBAOCMMAHKOS-LPBNZCGVSA-N 375.476 1.880 0 50 GDAA Cc1cc2c(N3CCCO[C@H](CNC(=O)c4ccc(F)cn4)C3)nccn2n1 888103343 DMXGULMDEOHPCJ-OAHLLOKOSA-N 384.415 1.597 0 50 GDAA Cc1nn(C)c(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c1Cl 1565514574 BMFWONRKGXYFAH-KBPBESRZSA-N 381.864 1.352 0 50 GDAA O=C([C@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CCOCC2(CCOCC2)C1 273342718 QYEHMEVZQLYGHC-AWEZNQCLSA-N 394.418 1.973 0 50 GDAA CCOC(=O)C(NC(C)=O)(C(=O)OCC)c1c(F)c(F)c(F)c(F)c1F 5592112 MSRHZVRHFSIVJG-UHFFFAOYSA-N 383.269 1.840 0 50 GDAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 12232315 DDIUKBJKEUZMSX-UHFFFAOYSA-N 375.406 1.520 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ncc[nH]2)CC1 12304821 WPYNNZTWZSZRDD-UHFFFAOYSA-N 388.468 1.838 0 50 GDAA Cc1nn2c(=O)/c(=C\c3ccc(OCc4ccccc4)cc3)sc2nc1=O 5504753 YHJSDZKUXWRYQO-GZTJUZNOSA-N 377.425 1.946 0 50 GDAA O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1cnc2c(n1)CCCC2 1857531045 OSSVQGWQUPUCFQ-KCTSRDHCSA-N 375.860 1.775 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H]1CCn3ncnc3C1)CC2 1857671789 QDINFZWNRULURP-INIZCTEOSA-N 376.464 1.868 0 50 GDAA O=C(c1ccc2c[nH]nc2n1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857676528 PCBYYTSYZAGTIS-HXUWFJFHSA-N 377.404 1.847 0 50 GDAA Cc1cc2[nH]c(CN3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)cc(=O)n2n1 1857683538 IRZMENPRXSIKNC-OAQYLSRUSA-N 393.447 1.580 0 50 GDAA Cc1c(-n2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)cnn1C 1857691730 BCXBRKGEXNQADU-UHFFFAOYSA-N 381.436 1.819 0 50 GDAA CC(C)(N)C(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3C(C)(C)C3(C)C)C2)C1 1857691884 ZWYGCIVJIJWYTM-SZNDQCEHSA-N 379.545 1.608 0 50 GDAA CC(=O)NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NC3CC3)cc12 1857693028 FLHDZSSLUXQLJW-UHFFFAOYSA-N 391.493 1.167 0 50 GDAA O=C(c1ccns1)N1C[C@@H]2COC[C@]2(C(=O)NC2Cc3ccccc3C2)C1 1857694195 DPLGRNQVOXNJBK-FOIQADDNSA-N 383.473 1.515 0 50 GDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)COc3ccccc3C(N)=O)CC2)O1 1857696086 MIXLPNJZRSJQOF-CRAIPNDOSA-N 390.480 1.721 0 50 GDAA COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccn3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857703227 YISRVZRWSVLIRL-YFVAEKQCSA-N 394.475 1.610 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c2nc(C2CC2)[nH]c3=NCCCc2nn[nH]n2)C1 1875244227 FNHPKVBAJAETIH-HXUWFJFHSA-N 396.499 1.160 0 50 GDAA Cc1c(-n2nnnc2SC[C@@H](O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 253426630 ZRSINXMENLQJHQ-CQSZACIVSA-N 388.497 1.959 0 50 GDAA COc1ccc(-c2noc(CCCC(=O)N3CCO[C@H](C(=O)O)C3)n2)cc1 262902347 BPOCUCJMTGMQLA-AWEZNQCLSA-N 375.381 1.380 0 50 GDAA C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 265496718 WYEJBQSKMZWGQG-MRXNPFEDSA-N 394.479 1.052 0 50 GDAA O=C1N[C@@H](Cc2csc(Br)c2)C(=O)N2CC3(CCC3)OC[C@H]12 2325808957 DLQMDKUZKJWRBC-WDEREUQCSA-N 385.283 1.702 0 50 GDAA O=C1CC[C@H](N2Cc3cc(C(=O)NC4CCSCC4)ccc3C2=O)C(=O)N1 2325886923 NZXOSSCOHXVLNA-HNNXBMFYSA-N 387.461 1.073 0 50 GDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 1145008 ALMOLXMGZMEEPK-UHFFFAOYSA-N 391.449 1.913 0 50 GDAA COC(=O)c1ccc(C(=O)N2CCc3nc(-c4cccnc4)nn3CC2)nc1 2356150200 QPPUPRSVVJIAOP-UHFFFAOYSA-N 378.392 1.220 0 50 GDAA CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 8654147 GMRMQNNZOKGHSS-UHFFFAOYSA-N 383.452 1.647 0 50 GDAA O=C(c1ccc(N2CCC[C@@H](O)C2)nc1)N1CCCN(c2ncccn2)CC1 106724937 GCHLUHGBMIZMCO-QGZVFWFLSA-N 382.468 1.185 0 50 GDAA COc1cc([C@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OCC(N)=O 65375486 ZWBWENVZELKHNK-CYBMUJFWSA-N 380.404 1.359 0 50 GDAA CC(=O)Nc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2cccnc2)cc1 67820271 TVRMVAONNSEDDW-SFHVURJKSA-N 379.420 1.984 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(Cc3cc(F)cc4cccnc34)C2=O)nn1 328613435 RZPCXGLOIXTBBB-MRXNPFEDSA-N 398.398 1.479 0 50 GDAA CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C 72121035 HMEKACKTVKAKKR-QGZVFWFLSA-N 389.475 1.692 0 50 GDAA O=C([C@H]1CCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1)N1CCCC1 329583413 LRKGNOCDWJSAGB-VQTJNVASSA-N 391.556 1.986 0 50 GDAA Cn1c(CN2CCCC[C@@H]2COC(=O)N2CCCCCC2)cc(=O)n(C)c1=O 367598301 DNSYBBHQJOFSJU-MRXNPFEDSA-N 392.500 1.451 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 131011773 SPJHKNWWLXLHTB-QRVBRYPASA-N 381.411 1.679 0 50 GDAA NC1(CNC(=O)N2CCC(N3CCCNC3=O)CC2)C2CC3CC(C2)CC1C3 333560385 QMVJFBFJFQPDAD-UHFFFAOYSA-N 389.544 1.729 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC(=O)N1Cc1ccc(F)cc1 71756792 YLXCITWDCTVJMB-QGZVFWFLSA-N 386.427 1.808 0 50 GDAA O=C(NCc1noc(-c2cccc(F)c2)n1)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 377853343 ZDAKDVRMZCDNCN-LSDHHAIUSA-N 388.399 1.662 0 50 GDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)C1(c3ccccc3)CC1)C2 219926227 ZWCICTGZZBTKAO-LJQANCHMSA-N 377.448 1.772 0 50 GDAA CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 284718778 CGUXQSATDPZJCP-RRFJBIMHSA-N 397.269 1.410 0 50 GDAA Cn1c(=O)oc2cc(S(=O)(=O)N(CCO)[C@H]3CCc4ccccc43)ccc21 178753591 NLUYDDSWBMMPFE-INIZCTEOSA-N 388.445 1.802 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@H]3COC[C@@H]3O)csc2C1 426361142 IYRZKSQSSJPJMX-IRXDYDNUSA-N 391.493 1.743 0 50 GDAA Cc1cc(N2CCN(C(=O)c3ccc(-c4nccn4C)cc3)CC2)nc(N)n1 426649786 WMYGBJVLGMZSFH-UHFFFAOYSA-N 377.452 1.730 0 50 GDAA COc1cccc(OC)c1C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 91656234 TYKXWHCWHBWZKD-UHFFFAOYSA-N 376.453 1.541 0 50 GDAA O=S(=O)(CCNC1CCN(c2nc3ccccc3o2)CC1)N1CCCC1 95366473 HBMNARWBVPRZLS-UHFFFAOYSA-N 378.498 1.812 0 50 GDAA CCn1cnnc1CCNC1CCN(c2cc(C)nc(N3CCCC3)n2)CC1 95507170 CUKLYIJKYGEADO-UHFFFAOYSA-N 384.532 1.798 0 50 GDAA CSCC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2[nH]nc3cccc(F)c23)C1 252490250 KNAGEVHQBJGTGY-WDEREUQCSA-N 380.445 1.285 0 50 GDAA CS(=O)(=O)N1CCc2cc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)ccc21 299348278 IWQBCNKJPOXCLY-JLZZUVOBSA-N 392.477 1.867 0 50 GDAA NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc1 826848850 QXXJLESYLSPTKJ-CQSZACIVSA-N 379.507 1.790 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(c(C(F)(F)F)nn(C)c3=O)C2)C1 1875380700 WUDXABNKYKLSLM-LLVKDONJSA-N 398.385 1.108 0 50 GDAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCc2nc(C)cs2)cc1 1875302427 QAFBKNDMESFAOP-UHFFFAOYSA-N 395.506 1.634 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@H]2CCc3c(cccc3OC)C2)ncn1 1875399879 LINHPUMDIUZIQP-GVDBMIGSSA-N 383.496 1.614 0 50 GDAA Nc1nccnc1C(=O)N1CC[C@H](NCc2cccc(Br)c2)C1 1875326421 ATEBUQQPZLCXEN-ZDUSSCGKSA-N 376.258 1.826 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCOCC3(C)C)C2)c1C 1875301221 FZWRKORDVIEWAT-HZPDHXFCSA-N 375.517 1.779 0 50 GDAA Cc1cc(Br)cnc1C(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875401166 RYUYNUUTINEHAP-IACUBPJLSA-N 379.258 1.919 0 50 GDAA O=C(COc1ccc(F)cc1F)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565506352 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1.601 0 50 GDAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 36034662 DVMKQMBXMIPYQY-UHFFFAOYSA-N 386.477 1.719 0 50 GDAA C[C@H](C(=O)N1CCN(C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 65363930 FZQWYMFRYSFVKG-GFCCVEGCSA-N 393.431 1.634 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(-n3ccnc3C)cc2)CC1 67612291 KMOPOAJXOBCWGY-UHFFFAOYSA-N 390.509 1.859 0 50 GDAA COCC(=O)N1CCCN(Cc2c(Cl)nc3c(C)cccn3c2=O)CC1 67641727 GRKLEMCSSKZGEP-UHFFFAOYSA-N 378.860 1.337 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)CNC(N)=O)CC1 67872207 QPKLGGXOCNTXBR-UHFFFAOYSA-N 382.468 1.001 0 50 GDAA Cc1cc2nc(C(=O)N3CCC[C@H](Cn4cc(C(=O)O)nn4)C3)cc(C)n2n1 67967704 PYGFXLGRAZFMTP-ZDUSSCGKSA-N 383.412 1.188 0 50 GDAA COc1nc2c(cc1CNC(=O)c1cn(C)nc1C)C(=O)N(C1CCCC1)C2 71712196 KVPRETBYCIANMS-UHFFFAOYSA-N 383.452 1.961 0 50 GDAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@@H]1C(=O)NCCN1CC(C)C 72120651 FMOSAJHJMVSGBM-GOSISDBHSA-N 377.533 1.886 0 50 GDAA O=C(NCC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)c1ccccc1 72437080 SBOLJBJHAKJHII-UHFFFAOYSA-N 394.479 1.155 0 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GDAA CCc1nccn1CCCNC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 96135833 NKENLICGDMLKHB-UHFFFAOYSA-N 385.877 1.958 0 50 GDAA CCc1c(C)cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(=O)n1C 97744874 UMUFQWUVQQLXOT-INIZCTEOSA-N 382.464 1.572 0 50 GDAA CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)NC2CCN(C(C)C)CC2)CC1 114456045 YJZQZCSSGAAUCZ-KRWDZBQOSA-N 380.577 1.848 0 50 GDAA Cn1cnnc1[C@H]1CCCN1C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 125835999 SLHNOABSIROQAZ-OAHLLOKOSA-N 392.419 1.116 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 170086701 NCOMPCNPROKYOK-BLLLJJGKSA-N 390.406 1.371 0 50 GDAA C[C@@H](CS(C)(=O)=O)NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 172251854 OASVFXRXZIWNRS-LBPRGKRZSA-N 389.468 1.662 0 50 GDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C(=O)O 254385701 RRTPKTHDIVIAMI-BVHQCUEGSA-N 382.453 1.385 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)nc3)cn2)C[C@H](C)O1 298878046 XNGFGSWPBVUXFR-STQMWFEESA-N 390.465 1.746 0 50 GDAA CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCN(CC(F)(F)F)C3=O)c2c1 302904761 SDUBVOHARLXJTO-LBPRGKRZSA-N 388.371 1.608 0 50 GDAA CCS(=O)(=O)N1CCc2c(ncn(CCOc3ccccc3Cl)c2=O)C1 328637317 OOPWRYPAECEOLQ-UHFFFAOYSA-N 397.884 1.684 0 50 GDAA Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC=C(c3cn(C(C)C)nn3)CC1)CC2 333782824 VSRCIHUEOWIIHL-INIZCTEOSA-N 384.488 1.963 0 50 GDAA O=C(N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1cccnc1 334157932 UISRBAVFDVJEKJ-MRXNPFEDSA-N 382.445 1.979 0 50 GDAA O=C(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)N1CCOCC(F)(F)C1 365793350 IILFCOJFKYGXCX-HNNXBMFYSA-N 391.422 1.861 0 50 GDAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOC[C@H](C)C3)c2)no1 378262518 WPQPYRWNVQXOBV-GFCCVEGCSA-N 379.438 1.892 0 50 GDAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)C(C)C)C2=O)cc1 409413013 IVWUDQMAUFQVFO-IRXDYDNUSA-N 391.468 1.071 0 50 GDAA NC(=O)Cn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)n1 446329778 HEFJQTDXXFCISJ-UHFFFAOYSA-N 394.391 1.904 0 50 GDAA CS(=O)(=O)N1CCC(NC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)CC1 457584106 WUSHBCMXKNBPLU-MRXNPFEDSA-N 385.461 1.333 0 50 GDAA N=c1cc[nH]c(-c2ccc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)cc2)n1 534656589 JSDQLYXJWNXGEX-INIZCTEOSA-N 375.436 1.745 0 50 GDAA Cc1c(-c2cccc(C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)c2)cnn1C 534671769 IVXYEGKHKZFNHP-INIZCTEOSA-N 377.466 1.017 0 50 GDAA CCN(C(=O)NCc1csc(-c2cnccn2)n1)[C@@H]1CCS(=O)(=O)C1 534673149 KFXLMOJKLGOYBK-GFCCVEGCSA-N 381.483 1.319 0 50 GDAA O=C(NC1CCS(=O)(=O)CC1)N1CCN(Cc2cccc(Cl)c2)CC1 670444420 AEYBWJOMZRGINV-UHFFFAOYSA-N 385.917 1.744 0 50 GDAA O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)(F)C1CCOCC1 791845291 ZELIWGSYNFKEIB-UHFFFAOYSA-N 388.314 1.967 0 50 GDAA Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)C(C)(C)N3CCNCC3)C2)n1 952893219 GTIGDASTIQAHTO-OAHLLOKOSA-N 375.395 1.094 0 50 GDAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)CC[C@H](C)N2CCOCC2)c1 952962502 FKLYHCAUGNJWAT-INIZCTEOSA-N 376.501 1.935 0 50 GDAA O=C(Cn1ccc(O)nc1=O)N1CCCN(c2nc3ccccc3s2)CC1 1506404580 YYYNPIDRKKEDDI-UHFFFAOYSA-N 385.449 1.298 0 50 GDAA CCc1c(C)nn(CC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1C 1529099380 WLACYWWHSCGGII-OAHLLOKOSA-N 393.513 1.874 0 50 GDAA CCn1cc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)c(C)n1 1529100022 MOZUCNPZUSTLKK-SJORKVTESA-N 376.844 1.737 0 50 GDAA COc1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(OC)cc1C 1704297590 BUVXHAXZLMBNKJ-CVEARBPZSA-N 392.477 1.943 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCC([C@H](O)CO)CC1 1772702635 SYJFPDFQPQBVDR-GOSISDBHSA-N 380.448 1.685 0 50 GDAA Cc1cnn(CC(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)c1 1775962853 OSPHDEYHTJFOTL-HZPDHXFCSA-N 384.484 1.084 0 50 GDAA CS(=O)(=O)N1C[C@H]2[C@@H](NC(=O)Cn3ccc4ccccc43)CCC[C@H]2C1 1857667957 VJYLTEFINIGOTQ-BBWFWOEESA-N 375.494 1.818 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(C2CCNCC2)CC1 1857671787 PYSHEVAMHVMQIQ-OAQYLSRUSA-N 398.551 1.615 0 50 GDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NCc1nc(C(F)(F)F)n[nH]1 1857699781 YEOKZKMFWJPBEK-VIFPVBQESA-N 394.361 1.418 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2 1857702029 WQRCZFIGLLDOPO-HXUWFJFHSA-N 382.468 1.580 0 50 GDAA CCCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3occc3C)[C@H]3CC[C@]2(C1)O3 1857715983 QRKRVLHOLIJMLT-QCBUCWTNSA-N 376.453 1.750 0 50 GDAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)[C@@H]1CCCN1C1CCNCC1 1857727029 ITDRMQDKDXEDEX-JKLQHZFJSA-N 398.551 1.533 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857727401 QTRDJISEURBZCY-FQEVSTJZSA-N 399.499 1.671 0 50 GDAA O=C(c1ccc(O)nc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857735280 AYVMKQGUNQNHBQ-HKUYNNGSSA-N 384.436 1.097 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCC(N)=O)C[C@H]1NC(=O)c1ccc(C)cc1 1875244430 JWUXHJLWZDSMBN-GVDBMIGSSA-N 375.469 1.290 0 50 GDAA O=C(c1cn2ccccc2n1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1875247434 LVBJTAPKOJOCMF-OALUTQOASA-N 390.443 1.976 0 50 GDAA NC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccccc1OC(F)F)C2=O 1875266486 VACMDLUKOLGRSY-BBATYDOGSA-N 381.379 1.910 0 50 GDAA Cn1nc(C(=O)NN2CCN(Cc3ccccc3)CC2)cc1-c1cccnc1 1875274737 WVHVNAONMUUSDC-UHFFFAOYSA-N 376.464 1.945 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)C1 1875371262 VGSZNLOTDQOXPT-KRWDZBQOSA-N 385.512 1.945 0 50 GDAA C[C@H]1CN(c2ccc(NC(=O)c3cncc(S(C)(=O)=O)n3)cn2)C[C@H](C)O1 1875389280 IOJFVWLDWVHNAU-RYUDHWBXSA-N 391.453 1.141 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ccc(-n3cccn3)nc2)ncn1 1875398154 DQHIDHXDPIILJZ-IAGOWNOFSA-N 394.483 1.171 0 50 GDAA O=S(=O)(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cccc2c1CCCC2 1875399247 TVMZFWAPAQRTJG-BMGDILEWSA-N 375.494 1.880 0 50 GDAA Cc1nc[nH]c1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100556865 TWWMKTOCIQFSLL-UHFFFAOYSA-N 384.484 1.530 0 50 GDAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)[C@@H]3CCCc4c3ncn4C)C2)ccn1 2325780257 SYTOCGONAHCQLH-ZWKOTPCHSA-N 397.479 1.551 0 50 GDAA CC[C@H](NC(=O)C1(c2ccc(Br)cc2)CCNCC1)C(=O)NC 2325795994 KUQXMZNLVRMVCW-AWEZNQCLSA-N 382.302 1.711 0 50 GDAA CC[C@@](C)(O)C(=O)N[C@H]1CN(C(=O)c2sc([C@H](C)OC)nc2C)C[C@H]1C 2325827825 RBULPMUMBKGLEE-FENQKFPNSA-N 383.514 1.897 0 50 GDAA COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC4(CC3)OCCO4)C2)c1 4034844 PKDJQZRGTCVIKP-KRWDZBQOSA-N 376.409 1.562 0 50 GDAA CC(=O)Oc1ccccc1C(=O)OCCNC1=NS(=O)(=O)c2ccccc21 4482273 VKOGMSRDPFGHMP-UHFFFAOYSA-N 388.401 1.507 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccnc1 10274573 XCPSSZPAOLKOBL-UHFFFAOYSA-N 377.422 1.363 0 50 GDAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(OC)c(OC)c3)CC2)O1 11872771 JSZKKOZLGMIULF-KRWDZBQOSA-N 392.496 1.980 0 50 GDAA Cc1nc2sccc2c(=O)n1CC(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 19743023 WUALAHIPILWPLN-ZDUSSCGKSA-N 399.476 1.621 0 50 GDAA Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 20212138 JQALBKDPLHSUKY-UHFFFAOYSA-N 398.467 1.696 0 50 GDAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cs1 55344093 SDILAIIYALAFFF-OAHLLOKOSA-N 394.447 1.737 0 50 GDAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 59749580 NQQJVNCWQXNBBS-UHFFFAOYSA-N 382.486 1.446 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2F)cc(-n2cccn2)n1 65362232 UCUGUXGHFWPMIS-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA Cc1noc(C)c1NC(=O)N1CCC([C@]2(c3ccccn3)NC(=O)NC2=O)CC1 67805033 IGYIZDJBARCHCN-LJQANCHMSA-N 398.423 1.665 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)CCn1cc(Cl)cn1)NCc1ccncc1 72420028 LBJOKUUSXNKOES-INIZCTEOSA-N 391.859 1.256 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1 72437477 GLBCGMOVXJKWMY-AWEZNQCLSA-N 394.497 1.270 0 50 GDAA CC(C)=CCN1CCN(C(=O)c2ccc3c(c2)CCO3)[C@H]2CS(=O)(=O)C[C@H]21 72447174 KTASAXJMGUESQR-MSOLQXFVSA-N 390.505 1.511 0 50 GDAA O=C(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1cnc(N2CCOCC2)nc1 72480410 CVXYLCUKTYCTSL-UXHICEINSA-N 393.491 1.331 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1 77136067 GXOHAWSEKLGKDR-UHFFFAOYSA-N 381.480 1.977 0 50 GDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cccc(-n2cccn2)c1 77357631 KJBQRJUVIZRNAG-UHFFFAOYSA-N 383.452 1.519 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)c2cc(F)ccc2N1 82134757 MWFUNZURHXJAPL-QGZVFWFLSA-N 375.444 1.822 0 50 GDAA O=C1CC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CN1CCCc1ccccc1 91440632 YKGUQPHAXZQNHR-UHFFFAOYSA-N 394.475 1.857 0 50 GDAA CC(=O)c1cc(CC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cs1 95378207 PCHDVTVKNLSJET-LTCOOKNTSA-N 394.537 1.669 0 50 GDAA O=C(CN1CCOC1=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95523081 OMJBIRXASXPKIF-ZDUSSCGKSA-N 375.454 1.546 0 50 GDAA CC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)CC2)O1 97631971 MZONYWQXEAQCFX-HNNXBMFYSA-N 375.469 1.788 0 50 GDAA CN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@H]1CCNC1 179092636 NPCKSQLPRSSOOI-VIFPVBQESA-N 379.251 1.426 0 50 GDAA C[C@H]1CN(c2ccnc(C(=O)NCC3(N(C)C)CCOCC3)c2)C[C@H](C)O1 189013684 FNIUBEQIXJLFHZ-HOTGVXAUSA-N 376.501 1.536 0 50 GDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)n(C)n1 215503348 XXDJTVMDRBPUMB-UHFFFAOYSA-N 380.456 1.190 0 50 GDAA COC(=O)c1cn(C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc2c(=O)[nH]nc1-2 263586410 UDUYSAJPHDRVEV-CYBMUJFWSA-N 399.359 1.392 0 50 GDAA biogenic Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 270956463 YHXLUJGAXMKPSL-DLBZAZTESA-N 383.452 1.264 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCO2)cn1 275315145 OFFUEOIWVFYRMD-SFHVURJKSA-N 393.465 1.827 0 50 GDAA CC(C)c1cccc(O[C@H](C)C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275683707 MMNNRDYTTSBGQB-QAPCUYQASA-N 378.469 1.821 0 50 GDAA COCCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(C)c1 299765341 FUTMPOCIGNDLLZ-AWEZNQCLSA-N 388.468 1.504 0 50 GDAA O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCCN(Cc2cnc3ccccn23)C1 328605420 NLORGZMLPRZFLS-APWZRJJASA-N 394.479 1.299 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)N[C@H]3CCCN(c4cnccn4)C3)cc21 534647250 SPTUBANLFBDLAR-AWEZNQCLSA-N 382.424 1.622 0 50 GDAA CN(CCCSc1ccccc1)C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 584886890 CPNUEXUETPXBIN-ZBFHGGJFSA-N 390.509 1.252 0 50 GDAA O=C1CN(c2ccc(NC(=O)N[C@H]3C[C@H](O)C34CCC4)cc2Cl)CCN1 820011307 NUYRHTLYKGDMKF-GJZGRUSLSA-N 378.860 1.701 0 50 GDAA Cc1ccc(N2CCC(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)nc1 870315643 MIYLEWHZDYAGAB-UHFFFAOYSA-N 377.452 1.899 0 50 GDAA COc1cc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc(-n2cnnn2)c1 952872818 DBTOTKWWVNCDBP-UHFFFAOYSA-N 376.376 1.775 0 50 GDAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 952967313 HKYMJMYCYPEDFZ-UHFFFAOYSA-N 397.522 1.794 0 50 GDAA NC(=O)c1cnc(C(=O)NC2(C(N)=O)C3CC4CC(C3)CC2C4)c(Cl)c1 1325478765 CGTKJZHYAAWNNP-UHFFFAOYSA-N 376.844 1.244 0 50 GDAA CCn1nc(C)c(NC(=O)CN2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1C 1704302098 BZNDDEZVSWAPJV-BEFAXECRSA-N 378.473 1.396 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)no1 1772708013 BFOLLPFTXHKQII-UHFFFAOYSA-N 384.392 1.302 0 50 GDAA O=C(c1cnccn1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857726278 KAWCGGIORVOSNH-PMACEKPBSA-N 382.464 1.516 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NC1CCS(=O)(=O)CC1 1857730351 NNNUNVVKXKLTRF-CYBMUJFWSA-N 392.481 1.523 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857731657 VRBCVNUPPONJMC-DLBZAZTESA-N 396.509 1.329 0 50 GDAA Brc1ccc2c(=NC3CCN(C[C@@H]4CCCO4)CC3)nc[nH]n12 1875256553 LHUOKOPWLYQKRS-ZDUSSCGKSA-N 380.290 1.969 0 50 GDAA CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cc(Cl)cs2)c1 1875316709 CFOSDFFUPZHFBC-UHFFFAOYSA-N 380.900 1.788 0 50 GDAA NC(=O)Cn1cc(NS(=O)(=O)c2ccc(F)c(Br)c2F)cn1 1875339363 GXVAVHBVZWUWKU-UHFFFAOYSA-N 395.185 1.210 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCN(c4cnccn4)CC3)cn12 1940198339 HAZFWVIESOVDRU-UHFFFAOYSA-N 388.435 1.487 0 50 GDAA C[C@](CO)(NCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 2325733083 PWJLFAPFEZSYED-JTHBVZDNSA-N 397.519 1.501 0 50 GDAA C[C@](NC(=O)c1ccn2c1CCCC2)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 2325756336 GIYLWTMLSWCNCA-LJQANCHMSA-N 390.461 1.958 0 50 GDAA CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@H]1CN(Cc2cc[nH]c2)C2(CCC2)CO1 2325785265 MPNPNSQRWLQBBB-PKOBYXMFSA-N 388.512 1.511 0 50 GDAA CCN1CC[C@H](N2CCC(CCNC(=O)C[C@H](OC)C(F)(F)F)CC2)C1=O 2325793417 SUWIVCQPRFCGNI-GJZGRUSLSA-N 393.450 1.793 0 50 GDAA CNC(=O)CNC(=O)c1cccc(NC(=O)NC2(c3ncc(C)[nH]3)CCC2)c1 2325849953 GUMPNQFXAGNEAY-UHFFFAOYSA-N 384.440 1.395 0 50 GDAA CC(C)NCC1CC2(C1)C[C@H](NC(=O)CCc1cccnc1)CCS2(=O)=O 2332237787 LIJZVUQDYHWYOM-QPIRBTGLSA-N 393.553 1.854 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1Cl 2981995 BQICFVNTXXNMIF-UHFFFAOYSA-N 381.841 1.844 0 50 GDAA COC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)Nc1ccccc12 4765214 TUBSHPSRELKVNE-FQEVSTJZSA-N 386.404 1.866 0 50 GDAA C[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)N1CCC(Cc2ccccc2)CC1 110627246 HLWXQCCWPWOAAL-KRWDZBQOSA-N 387.524 1.728 0 50 GDAA CCOC(=O)[C@@H]1CCCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)C1 101529864 JKTXJKDVEZLINF-QGZVFWFLSA-N 399.491 1.606 0 50 GDAA aggregator CCN1CCN(C2(C(=O)NCC[C@@H]3CCCN3C)Cc3ccccc3C2)CC1 20449608 ZPNLWXPBRONZSK-NRFANRHFSA-N 384.568 1.762 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)CCN1 67541598 ASURCZUBURRORM-INIZCTEOSA-N 381.480 1.958 0 50 GDAA CCn1cnnc1CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215689649 PWSDLOOWKQJLNC-UHFFFAOYSA-N 377.470 1.055 0 50 GDAA O=C(O)[C@@H](c1ccc(F)c(CO)c1)N1CCC(C(=O)N2CCOCC2)CC1 219647169 CGIHLHAWKQAAEY-QGZVFWFLSA-N 380.416 1.015 0 50 GDAA CN(C)c1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cn1 219538424 ODSMNAGSLJRBQL-FQEVSTJZSA-N 381.484 1.565 0 50 GDAA CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71415777 BMTMZKSBSGYKBX-GOSISDBHSA-N 396.491 1.969 0 50 GDAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 72124139 ZBCWYIJDHPOCMG-KRWDZBQOSA-N 385.443 1.336 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 363728091 WBUPXFPKEJGDKD-QGZVFWFLSA-N 396.447 1.522 0 50 GDAA Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c(C)c1C 72140435 MLPVLZZBFKJLFT-QGZVFWFLSA-N 379.460 1.798 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)CCC(=O)N1CC1CC1 71759796 NDTAUCRFSIHGAW-KRWDZBQOSA-N 382.468 1.771 0 50 GDAA CCCc1cncnc1N1CCC(N2CCC[C@H](C(=O)NCCOC)C2)CC1 71780044 XIUHNDPTWPQMCD-SFHVURJKSA-N 389.544 1.873 0 50 GDAA CCOC(=O)c1cccnc1N1CCN(C2CCN(C)CC2)[C@H](CCO)C1 72432740 PPWRNFCTJULRSD-QGZVFWFLSA-N 376.501 1.226 0 50 GDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(c3cnccn3)CC2)C1 71756823 OKUGOFKKJPWDHU-QGZVFWFLSA-N 380.496 1.869 0 50 GDAA C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C 241132922 JNEFGVXAOCDZKM-WDEREUQCSA-N 381.395 1.769 0 50 GDAA CN1CCC(N(Cc2ccncc2)C(=O)NCCN2CCC[C@H](CO)C2)CC1 426510184 SXRDRQYLNQFVFF-IBGZPJMESA-N 389.544 1.392 0 50 GDAA O=C(c1cncc(F)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 177524111 GKKBLLJSROFSLC-UHFFFAOYSA-N 385.367 1.646 0 50 GDAA CCN1C[C@H](NC(=O)c2cccc(-c3ccc(CC(=O)NC)cc3)c2)CC1=O 426465247 QRVPTCWBJXYZQE-LJQANCHMSA-N 379.460 1.993 0 50 GDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 91391234 WPMASJUVAJEERI-KRWDZBQOSA-N 379.438 1.876 0 50 GDAA CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCNC1 179107308 OMQBXYDXLWVTQL-GFCCVEGCSA-N 379.258 1.369 0 50 GDAA Cc1nccn1[C@H](C)C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 95513042 KJWIWIVJLFQSBJ-CQSZACIVSA-N 396.495 1.788 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)Cn1nc(C)cc1C)CC2 91818078 HITBAOBCNMPIPP-UHFFFAOYSA-N 376.501 1.768 0 50 GDAA O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95368830 YVBQMNVBJDOWOX-GOSISDBHSA-N 375.432 1.932 0 50 GDAA CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CC1 248099534 ZVQIFFJMQKOYTJ-HHARLNAUSA-N 383.533 1.898 0 50 GDAA biogenic Cn1c(=O)c(O)nc2cc(CCC(=O)N[C@@H](C(=O)O)c3ccccc3)ccc21 252536965 JZGOKJFCDMPREV-QGZVFWFLSA-N 381.388 1.514 0 50 GDAA Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)n2ncnc2n1 363093698 ITVHHLIVGIWALB-INIZCTEOSA-N 378.436 1.333 0 50 GDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Nc1cccc(S(N)(=O)=O)c1)C2 299797929 TZHJZDWDWBGJCQ-UHFFFAOYSA-N 375.454 1.969 0 50 GDAA Cc1c(NC(=O)NC[C@@H]2CN(C)CCN2C)cccc1C(=O)NCC(C)C 299761164 SPEORKFZXZIGHU-MRXNPFEDSA-N 375.517 1.748 0 50 GDAA Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N2CCc3ccc(C(=O)O)cc32)c1 1875353436 SGJRHDHDXPISBX-UHFFFAOYSA-N 377.374 1.848 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cn(C(C)C)cn3)C2)c1C 1875397496 BYGOURSFEWADLO-MRXNPFEDSA-N 385.516 1.941 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](c2ccccc2)c2ncc[nH]2)ncn1 1875400429 ZNDAFJXAHRXUMG-HLIPFELVSA-N 393.495 1.585 0 50 GDAA CCn1cnnc1CN(C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875403780 BTCOLKQWMXDYHU-OAHLLOKOSA-N 386.504 1.117 0 50 GDAA CN=c1ccc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)c[nH]1 1875402812 MBKKJEFPGFYGKQ-ATZDWAIDSA-N 391.475 1.978 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)n1 952964187 BRXCFVRXTPTVCZ-OAHLLOKOSA-N 397.439 1.816 0 50 GDAA Cn1ccnc1CCN1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 952983452 FGRXFOGZQQOYAS-IBGZPJMESA-N 384.480 1.631 0 50 GDAA O=C(CN1CCOc2ccccc2C1)N1CCCN(C(=O)C(F)(F)F)CC1 952980712 YBNJWQXGQRWKLR-UHFFFAOYSA-N 385.386 1.504 0 50 GDAA COCCN1C[C@H](C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)CCC1=O 952973857 SCENPTOBTOSYOT-CYBMUJFWSA-N 376.482 1.982 0 50 GDAA O=C(N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1)N1CCn2ncnc2C1 888102629 UICLUAZMNORMSI-ZDUSSCGKSA-N 399.405 1.960 0 50 GDAA COCCC1(NC(=O)c2cc(OC)no2)CCN(C(=O)COC(C)(C)C)CC1 1775989388 NALFMPJFXZHGSM-UHFFFAOYSA-N 397.472 1.626 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1onc2c1CCCC2 1565509904 BBFLVSUDSKVVFF-KGLIPLIRSA-N 381.436 1.720 0 50 GDAA COc1ccc2[nH]c([C@H](C)NC(=O)c3ccnc4c(C(N)=O)cnn34)nc2c1 170600531 XIZIKPWYTRQZAG-VIFPVBQESA-N 379.380 1.204 0 50 GDAA O=C(c1ccccn1)[C@@H]1CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1 1506397439 RQSOGCNETMIOKZ-OAHLLOKOSA-N 381.436 1.443 0 50 GDAA CC(C)c1cc(C(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)nc(N)n1 1506402137 UOPLKTYEDBXRQN-NSHDSACASA-N 381.483 1.349 0 50 GDAA CCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1(C)C 1529158573 GPZJKKCFEINDLK-SJORKVTESA-N 379.888 1.839 0 50 GDAA COc1cc(Cl)cc(C(=O)N2CCCN(C(=O)[C@@H]3CCN(C)C3)CC2)c1 1704299085 NSARCGGVVMKQFY-CQSZACIVSA-N 379.888 1.975 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@H](C2(O)CC2)C1 1775984002 GAXFTJKBZHTGLQ-AWEZNQCLSA-N 377.466 1.807 0 50 GDAA COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 11665221 WQQCYURXCFRCOD-KRWDZBQOSA-N 381.432 1.923 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)n2)cc1 11754045 UOMOKUVPBQOKBO-HXUWFJFHSA-N 396.491 1.796 0 50 GDAA CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCN3CCOCC3)no2)cc1 19743991 SYXXXVPEXTVHBT-UHFFFAOYSA-N 387.436 1.860 0 50 GDAA Cc1ccc(-c2nnc3n2C[C@@]2(CCN(C(=O)c4ccc(O)nc4)C2)OC3)o1 1857685694 PRUMUTRZJMDIAY-IBGZPJMESA-N 381.392 1.762 0 50 GDAA O=C(CN1CCOC1=O)N[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3cn2)C1 1857692874 YKSIGYXRJUUUAO-CVEARBPZSA-N 382.420 1.454 0 50 GDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)O1 1857701145 NEYSRUNDPLXOAQ-NVXWUHKLSA-N 385.464 1.865 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)CCO3)n1 1857703105 IXOMUINTRPZSAW-UHFFFAOYSA-N 377.489 1.040 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cnn(C)c1 1857714763 KUHIXFGNJUFRSS-OALUTQOASA-N 386.452 1.335 0 50 GDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4cnccn4)C[C@]34CC[C@H]2O4)cnc1C 1857723686 QRENXEBRSSSJAW-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCCCc3c(C)n[nH]c3C)CC2=O)s1 1857726702 CTOSELRFENKLLX-ZDUSSCGKSA-N 390.513 1.932 0 50 GDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 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386.427 1.795 0 50 GDAA COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 837313 APFOJOLBCOGWDD-UHFFFAOYSA-N 382.482 1.779 0 50 GDAA COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 902460 VRIMAIDSDLRLJV-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA O=C(NCCCn1ccnc1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356154386 UCESABJWJLHBST-CEQIKUNHSA-N 379.464 1.721 0 50 GDAA CCN(CC)CCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2975303 IHWGDKRJZNOFHG-UHFFFAOYSA-N 392.481 1.636 0 50 GDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 100283293 DIGAMSZKMAZMRG-HIFRSBDPSA-N 377.441 1.275 0 50 GDAA CC(C)CCn1c(CN(C)C[C@@H]2COCCO2)cnc1S(=O)(=O)C(C)C 20995631 VIWDHQWDLCFSRV-QGZVFWFLSA-N 387.546 1.959 0 50 GDAA CCN(Cc1cccnc1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67771708 OSFRABWRRIEPKG-UHFFFAOYSA-N 381.479 1.698 0 50 GDAA CCCO[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67754876 IYQHQQTWLCFALY-LLVKDONJSA-N 388.511 1.672 0 50 GDAA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc(C(N)=O)c1C 2742376 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Cc1noc(C)c1C(=O)N1C[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@]2(CO)C1 1772812988 SNNRLAWKQBCTNA-PGRDOPGGSA-N 397.475 1.793 0 50 GDAA O=C(CCc1cn[nH]c1)N1C[C@H]2COC[C@@H](C1)CN2Cc1ccc(F)cc1F 1772704961 VAEFPHQKGVAOSC-QAPCUYQASA-N 390.434 1.980 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3CCCN(C(=O)c4cscn4)CC3)cc2)n1 1772709624 LBYZIVBYEGNXQS-UHFFFAOYSA-N 397.464 1.322 0 50 GDAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)Cn4nnnc4N)C3)C2)cc1 12386996 NPCGMLQBDFAHOO-NRFANRHFSA-N 397.527 1.893 0 50 GDAA Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)c(C)c1C 12517981 GWRDRYHDHZHBGQ-UHFFFAOYSA-N 378.436 1.777 0 50 GDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccccc1)CC2 14745878 PCYZTSXPKVLXDK-UHFFFAOYSA-N 386.496 1.817 0 50 GDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCOC(C)C)c1 15074899 MMHZRTHNSRJSQT-IBGZPJMESA-N 396.528 1.406 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1C(=O)N1CCCC1 16649145 MCZZKWCVOYVRGZ-IRXDYDNUSA-N 396.509 1.855 0 50 GDAA O=C(O)CC[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)O 1650498 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COc1ccc(C(C)C)cc1CN1CCN(C(C)=O)[C@H]2CS(=O)(=O)C[C@H]21 247974500 ZOEIGITZGCPUNT-MSOLQXFVSA-N 380.510 1.648 0 50 GDAA Cc1ccc(C2(O)CCN(C(=O)CCC[C@@H]3NC[C@@H]4CNC[C@H]3C4)CC2)nc1 2100480680 PBMFAGWZDMTMKH-OTWHNJEPSA-N 386.540 1.568 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)N2CCc3nc(C)[nH]c3C2)CC[C@H]1NC(=O)NC(C)C 2100534538 MXXORDOISDESNK-YSVLISHTSA-N 377.489 1.494 0 50 GDAA O=C1CCC[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]2N1 2325782702 XTVWRVAQWXHPFV-GXTWGEPZSA-N 386.420 1.353 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1N1CCOCC1 2325786197 PQKUSKKVKOSZBK-YVWKXTFCSA-N 384.480 1.598 0 50 GDAA O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 840827 QHRGHVKKJPKYBX-UHFFFAOYSA-N 382.463 1.508 0 50 GDAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1136943 IKJUJEUADSZAFY-GOSISDBHSA-N 390.461 1.171 0 50 GDAA O=C(NC[C@H](O)c1cccc(O)n1)c1cc2c(s1)C1(CCNCC1)OCC2 2356146032 ONDDUVVKVZKJRL-AWEZNQCLSA-N 389.477 1.464 0 50 GDAA O=C(c1ccc2c[nH]nc2n1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356148555 FLYIFHVUINGWKV-WHSLLNHNSA-N 397.479 1.859 0 50 GDAA CCCNC(=S)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 4805423 TXOGEBPMUAJLKN-UHFFFAOYSA-N 387.527 1.295 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)N1CCOCC1 59765731 WUTQEIQIAFXNBN-UHFFFAOYSA-N 395.481 1.095 0 50 GDAA COc1ccc(CNCCCSC)cc1OC[C@H](O)CN1CCN(C)CC1 22926046 MQNKUHVHEAGLNN-GOSISDBHSA-N 397.585 1.525 0 50 GDAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 67629937 VCIFTQBQURZSKH-LBPRGKRZSA-N 391.424 1.966 0 50 GDAA COc1ccc(Cn2cc(C(=O)N3CCO[C@@H](c4nc(C)n[nH]4)C3)cn2)cc1 173092706 BMRYTVMEPPHPTE-QGZVFWFLSA-N 382.424 1.580 0 50 GDAA COc1ccc(CN2CCN(c3ncnc4[nH]cnc34)C[C@@H]2CCO)c(F)c1 72457116 SYWDASGSWFEPIF-AWEZNQCLSA-N 386.431 1.574 0 50 GDAA COC(=O)[C@H](NC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O)C(C)C 213099858 VLJIRKJQXBCCFT-QGZVFWFLSA-N 391.424 1.118 0 50 GDAA CC(C)(C)NC(=O)C[C@H]1COCCN1S(=O)(=O)N1CCc2ccccc2C1 72428473 RMFOZWXSWNRCRM-KRWDZBQOSA-N 395.525 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LMBZYUBUMAZMQV-AWEZNQCLSA-N 375.477 1.631 0 50 GDAA CC(=O)N1CCN(C(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H](O)C1 426684345 BKSRRDVHJFKDMX-INIZCTEOSA-N 391.859 1.465 0 50 GDAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 20992083 GKEIKIOACNACOO-MRXNPFEDSA-N 385.867 1.712 0 50 GDAA CC(C)n1cc(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cn1 426668980 IZSULIDAFTXKFC-UHFFFAOYSA-N 376.505 1.304 0 50 GDAA Cc1nnc(CNC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)o1 96138696 PRZHRDHMETZDPX-UHFFFAOYSA-N 379.804 1.826 0 50 GDAA O=C(CN1CCOC1=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 91289406 HNDILCUWHDZTCT-FQEVSTJZSA-N 386.452 1.265 0 50 GDAA CC1(C)NC(=O)N(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1=O 96160710 YOXNTUSCFQHGJM-UHFFFAOYSA-N 381.436 1.147 0 50 GDAA COC(=O)[C@@H](CO)NC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91755102 FQDJRJMCTABSMU-GFCCVEGCSA-N 391.405 1.435 0 50 GDAA COCCN(C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 91646030 MJIJSAKHVLUGTJ-LJQANCHMSA-N 387.524 1.819 0 50 GDAA O=C(Cc1ccccc1O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95528314 CECUSFPTTIBLSH-UHFFFAOYSA-N 394.475 1.970 0 50 GDAA CCCCNC(=O)Nc1ccc([C@@H](C(=O)O)N2CCN(C(C)=O)CC2)cc1 95391897 YGDYLTMRSMRERV-KRWDZBQOSA-N 376.457 1.898 0 50 GDAA CSCC[C@@H](NC(=O)CCc1ccc2c(c1)nc(C)c(=O)n2C)C(=O)O 252488773 IYRQWSMZTMJYIJ-CYBMUJFWSA-N 377.466 1.497 0 50 GDAA CN(C)C1=NC2(CCN(C(=O)NCCSCc3ccccc3)CC2)C(=O)N1 534656894 OFOROTNZGMUCPG-UHFFFAOYSA-N 389.525 1.511 0 50 GDAA Cc1c(NC(=O)NC[C@H]2CN(C)CCN2C)cccc1C(=O)NCC(C)C 299761162 SPEORKFZXZIGHU-INIZCTEOSA-N 375.517 1.748 0 50 GDAA NC(=O)[C@H]1C(=O)N(CCc2ccco2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 826828550 WAFGNQQTCIYZCS-LAVAIGHBSA-N 382.416 1.675 0 50 GDAA biogenic COC(=O)[C@H](CCS(=O)(=O)NC1CC=CC1)NC(=O)OCc1ccccc1 1875339486 LWULGHRJVAXCMI-INIZCTEOSA-N 396.465 1.483 0 50 GDAA CSC[C@H]1C[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](C)O)C1 1875313261 NWYKZXPXJJYIOC-CVMIBZJCSA-N 390.502 1.111 0 50 GDAA C=CC(=O)N[C@@H](CNC(=O)c1ccc2c(c1)C(=O)NCC2)c1ccccc1OC 1875386060 IBPFFTZMUPRYKO-SFHVURJKSA-N 393.443 1.754 0 50 GDAA O=C(NCC1CCN(c2cc(C(=O)N3CCOCC3)ccn2)CC1)C1CCC1 952989034 BPLLURNHYGIUGD-UHFFFAOYSA-N 386.496 1.687 0 50 GDAA Cc1cc(N2CCN(C(=O)[C@H](c3ccccc3F)N(C)C)CC2)n2ncnc2n1 952966097 UFBAQTALVCLXEH-SFHVURJKSA-N 397.458 1.523 0 50 GDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ccc(C(=O)NC3CCCC3)nn2)cn1 275683087 WKLJNFFWZROGAP-KDOFPFPSSA-N 383.456 1.314 0 50 GDAA C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1 275990362 OUOACUVKJILMDE-HZPDHXFCSA-N 399.499 1.239 0 50 GDAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccnc(OCC(F)F)c2)cn1 277460370 KLXWRMSYJVFJIQ-ZBSNKRKSSA-N 384.408 1.405 0 50 GDAA Cc1cccc(N2CCC(N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)CC2)c1 1704337303 QKODOJFVEUCQEO-LPHOPBHVSA-N 381.542 1.460 0 50 GDAA O=C(O)c1ccc(N2C[C@H]3CN(Cc4ccccc4Cl)C[C@@]3(CO)C2)nn1 1772814723 PKGAJNDVCMEKJE-KUHUBIRLSA-N 388.855 1.759 0 50 GDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 1772710336 PVMDGQQDEQCPDQ-NWDGAFQWSA-N 385.445 1.789 0 50 GDAA COc1cccc(C(=O)NC[C@H]2CCCN(C(=O)c3cnsn3)C2)c1OC 12299218 XTTJCPAHSVICAD-GFCCVEGCSA-N 390.465 1.838 0 50 GDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cccnc1)CC2 14753793 VOMOXTBTRFXWLX-UHFFFAOYSA-N 399.495 1.899 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)NCCc2c[nH]c3ccccc23)CC1 15075970 KBIIAGQXSOPXQX-UHFFFAOYSA-N 381.484 1.745 0 50 GDAA O=C(NCc1cccnc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 16624316 SMAAZNHRFWEYEZ-UHFFFAOYSA-N 379.413 1.172 0 50 GDAA COc1cccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1 19565742 AHLJCCOOKDPERO-LJQANCHMSA-N 393.443 1.785 0 50 GDAA CO[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CC[C@@H]1NC1CCOCC1 1857693187 MDEKZKRYGSFLFH-IEZWGBDMSA-N 390.480 1.984 0 50 GDAA COc1ncccc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857718550 KDUGYABGXDLNSL-OALUTQOASA-N 398.463 1.400 0 50 GDAA NC(=O)COc1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c1 1857719455 LKXBHMXNRARSBK-WSTZPKSXSA-N 395.459 1.495 0 50 GDAA CC(=O)OCC1CCN(S(=O)(=O)N2CCC(n3cc(C)cn3)CC2)CC1 2325775792 SVUYIVOPMIZDFQ-UHFFFAOYSA-N 384.502 1.348 0 50 GDAA CSCC(C)(C)C(=O)N1CCN(C(=O)c2cc(N)c(F)c(O)c2F)CC1 2325872789 NFMQDIZZDSUELG-UHFFFAOYSA-N 387.452 1.926 0 50 GDAA Cn1cc(N2C[C@@H](C(=O)NCc3nc(-c4ccncc4)cs3)CCC2=O)cn1 931612511 XXSJLUQXUOTVQW-AWEZNQCLSA-N 396.476 1.998 0 50 GDAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1117251 REROLTMHONKLIJ-UHFFFAOYSA-N 394.449 1.972 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)c1ccc3nnc([C@@H](O)C(C)C)n3c1)CC2 2356148801 SUPKCWKLGWLKHF-INIZCTEOSA-N 382.424 1.421 0 50 GDAA COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 2906519 BZGMCKPQQVZPFQ-UHFFFAOYSA-N 376.478 1.949 0 50 GDAA CN(C(=O)COc1ccc(Br)cc1)[C@@]1(C)CCS(=O)(=O)C1 4302853 ITWIWKSGNDXIHD-AWEZNQCLSA-N 376.272 1.864 0 50 GDAA O=C(NCCNC(=O)c1ccccc1I)c1cccnc1 4838711 BEVDIYPLOYUNSB-UHFFFAOYSA-N 395.200 1.846 0 50 GDAA Cc1ccc(C(=O)NCCc2nnc(SCCN3CCOCC3)n2C)cc1 20908524 QYRMAUYHNZIKSZ-UHFFFAOYSA-N 389.525 1.520 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 106330025 REODMMJCQZGBEQ-UHFFFAOYSA-N 379.468 1.633 0 50 GDAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)C2=O 249250598 YHJPIOBNVOWBLR-SCGCMHLBSA-N 383.514 1.342 0 50 GDAA COCCn1c(CN(C)CCc2cn[nH]c2)cnc1S(=O)(=O)CC1CC1 20109565 LOPLHHVLGQNIRS-UHFFFAOYSA-N 381.502 1.111 0 50 GDAA CNC(=O)c1cccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 141085551 IUMYKWQNRVDCRV-IBGZPJMESA-N 379.460 1.896 0 50 GDAA Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 65364763 HPXDWUFXHKUWEK-UHFFFAOYSA-N 391.497 1.320 0 50 GDAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)c1 72425413 OSZAOWYVQFXJNK-ZDUSSCGKSA-N 378.400 1.627 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cnoc3C)CC2)C1 71745365 JETONRFOHIUQIP-HNNXBMFYSA-N 378.473 1.062 0 50 GDAA CC(C)n1cc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)C[C@H]2CO)cn1 332780838 GVGWOHSLXZIOFY-JPLJXNOCSA-N 392.500 1.519 0 50 GDAA O=C(NCCN1C(=O)CCC1=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 363107865 NMEYLVHYERCZER-UHFFFAOYSA-N 398.507 1.833 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 333573203 YMCIFBUNOPYRKK-KCEFYPGHSA-N 379.526 1.797 0 50 GDAA CN1CCC[C@H](C(=O)N2CCc3c(nc(-c4cccnc4)nc3N(C)C)C2)C1 72165788 UIUOWSYCAYQNET-INIZCTEOSA-N 380.496 1.831 0 50 GDAA CN(CCc1ccccc1)C1(C(=O)N2CCO[C@H](CN)C2)Cc2ccccc2C1 72146223 WAPMMXPFUWYKFT-JOCHJYFZSA-N 393.531 1.885 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(CCCN3CCOCC3)CC2)c(C)s1 157819487 VMUJIHUSDHOYDQ-UHFFFAOYSA-N 387.571 1.394 0 50 GDAA CCN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H]4ON=C(c5ccc(Br)cc5)[C@@H]34)[C@H]2C1=O 240786054 HZWCRAJDTXSOOD-HFSUPIEXSA-N 391.221 1.570 0 50 GDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C2)no1 221445451 JGQYIOKMGSSDMM-AWEZNQCLSA-N 378.454 1.794 0 50 GDAA COc1cccc(N2C[C@@H](NC(=O)c3nnc(O)c4ccccc34)CC2=O)c1 506118138 JFWXLDKSTKNCGE-LBPRGKRZSA-N 378.388 1.879 0 50 GDAA Cc1cccc(C)c1OCCCN(C)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426434792 BZOBAGRKDFGANB-OAHLLOKOSA-N 386.452 1.145 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(C)c1 92037851 YYUGGONJVMMKOY-IBGZPJMESA-N 379.526 1.587 0 50 GDAA CCn1c(Cn2cccn2)nnc1C1CCN(c2ncc(F)c(OC)n2)CC1 96166326 PFWVVLGNZRTXFK-UHFFFAOYSA-N 386.435 1.865 0 50 GDAA Cc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3nncs3)CC2)no1 179645659 SCNALHFFMWVJFG-UHFFFAOYSA-N 399.480 1.653 0 50 GDAA CN(CCn1ccc2ccccc21)C(=O)Cn1ncc(N2CCCC2)cc1=O 95524359 RETRWAFMHQPEFI-UHFFFAOYSA-N 379.464 1.957 0 50 GDAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)on1 95525730 YUSWEYGVBMIKNP-UHFFFAOYSA-N 387.440 1.123 0 50 GDAA O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CC[C@@H](C(=O)O)C1 426615132 KYTHYNRFOWJIEG-UONOGXRCSA-N 380.466 1.457 0 50 GDAA CC1(C)OC(=O)N(CC(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)C1=O 95499380 PXUZFFSULGXLTK-UHFFFAOYSA-N 376.413 1.486 0 50 GDAA CN1CCN([C@@H]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2O)CC1 22916452 DKMJWWGUOKMXJO-RTBURBONSA-N 389.931 1.708 0 50 GDAA COC[C@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91624645 BQLWHVUBZVQKMY-LLVKDONJSA-N 377.422 1.909 0 50 GDAA Cc1c(C)c2c(c(C)c1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1)NC(=O)CO2 96166507 HNIUJAUYEUSRAE-KRWDZBQOSA-N 381.454 1.641 0 50 GDAA CCN(C(=O)NCc1csc(-c2cnccn2)n1)[C@H]1CCS(=O)(=O)C1 534673150 KFXLMOJKLGOYBK-LBPRGKRZSA-N 381.483 1.319 0 50 GDAA CN(C)C[C@]1(O)CCCN(C(=O)NCc2ccccc2CN2CCCC2=O)C1 584897464 NOTBUTKPKNCJNY-OAQYLSRUSA-N 388.512 1.407 0 50 GDAA COc1ccccc1C(=O)NC[C@H](CC(C)C)NC(=O)C1(C(N)=O)CCC1 1875347201 KPXBDEANMKKMGX-AWEZNQCLSA-N 375.469 1.612 0 50 GDAA Nc1nc2c(c(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)n1)CCCC2 952986303 KSVCMNSFZVCWBP-UHFFFAOYSA-N 383.427 1.561 0 50 GDAA COc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1C(=O)N(C)C 952872230 KXBRKHRODAUYNF-UHFFFAOYSA-N 390.461 1.982 0 50 GDAA CCc1nnc(N2CCC(C3(NC(=O)CNC(=O)OC)CC3)CC2)nc1CC 1775993304 ZAGOOQSVIDSXRZ-UHFFFAOYSA-N 390.488 1.218 0 50 GDAA COc1cc2nc(O)c(CN3CC[C@@H](CO)[C@@H](O)C3)cc2c(OC)c1OC 1565530498 VIGVSTXUMLCPJW-NHYWBVRUSA-N 378.425 1.141 0 50 GDAA CCOC(=O)N1CCC(N2CC[C@H](N(C)CCc3ccccn3)[C@@H](O)C2)CC1 1565526822 MESNDMMXEVYBIV-PMACEKPBSA-N 390.528 1.612 0 50 GDAA Cc1sc2ncnc(N3CC[C@]4(O)CCN(S(C)(=O)=O)C[C@@H]4C3)c2c1C 1565529172 XWOCDSQKMGVUNF-GUYCJALGSA-N 396.538 1.531 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c2ccccc2O1 1317726389 SFNURFKOJWAMCD-KDOFPFPSSA-N 379.416 1.677 0 50 GDAA CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)o1 275277013 JYRKOARPAOELDE-CYBMUJFWSA-N 393.425 1.125 0 50 GDAA O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCCc1nc2ccccc2[nH]1 170618692 ADHDPYIXEJUNLA-UHFFFAOYSA-N 398.448 1.076 0 50 GDAA C[C@@](O)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1cccc(Cl)c1 189766294 PZWAKBAUAUWRMP-LJQANCHMSA-N 388.855 1.309 0 50 GDAA CN(CCCn1cccn1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529152447 TVYGHGFWBAPAJQ-MOPGFXCFSA-N 383.452 1.258 0 50 GDAA CCN(CC1CCOCC1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529089592 MRDYHAZJVLXUDW-UXHICEINSA-N 387.480 1.788 0 50 GDAA CCn1cc(CN2C[C@H]3CN(C(=O)/C=C/c4ccccc4)C[C@]3(CO)C2)cn1 1772814787 BJVUQGUEUOAKRY-XGTLJDLRSA-N 380.492 1.869 0 50 GDAA CCCCc1ncc(CN2C[C@H]3CN(C(=O)c4ccc(N)nc4)C[C@@]3(CO)C2)[nH]1 1772815727 USIJSTCYBVYTHP-HRAATJIYSA-N 398.511 1.296 0 50 GDAA CN1CCCCC[C@H]1C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 12582749 NRHRTQXQDGYVOV-FQEVSTJZSA-N 390.572 1.842 0 50 GDAA COCCN(C)Cc1cccc(OC[C@H](O)CN2CCC(C(=O)OC)CC2)c1 12705193 ABXKBRIYLPOMMZ-LJQANCHMSA-N 394.512 1.390 0 50 GDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3ccccc3)CCN2C1=O 14749804 RQNGTEYENYCTGZ-UIFIKXQLSA-N 393.487 1.803 0 50 GDAA COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CCN(C)CC3)cc1 14749831 RNKOSYGEWAIEDJ-UHFFFAOYSA-N 388.512 1.528 0 50 GDAA O=C(Nc1cc[nH]n1)c1ccc([C@H]2CCCN2C(=O)CN2CCOC2=O)s1 19774580 IOTXKZUQOQATIQ-LLVKDONJSA-N 389.437 1.839 0 50 GDAA O=C(Cc1ccc(O)c(Cl)c1)N1CC[C@@]2(CN(Cc3cnc[nH]3)CCO2)C1 1857683998 UTTBXXQXKMOAFY-LJQANCHMSA-N 390.871 1.815 0 50 GDAA CCOCCC(=O)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857708288 ZMUAOACGGVAUIB-FQEVSTJZSA-N 390.484 1.252 0 50 GDAA Cc1ccnc(O)c1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328623919 CDIXXPXJTJWVRE-CQSZACIVSA-N 386.456 1.004 0 50 GDAA Cc1ccc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c1 247969728 UCSDLJKZIRKWBB-AEFFLSMTSA-N 379.526 1.575 0 50 GDAA COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 16623211 QQQYJAPUUIJMHX-INIZCTEOSA-N 389.433 1.070 0 50 GDAA COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)cc1OC 364349898 WHUIMSOSXXDIPY-ZDUSSCGKSA-N 375.450 1.872 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 264852112 LYPSAWOZDMENPG-MRXNPFEDSA-N 399.422 1.876 0 50 GDAA COC[C@H]1CN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)CCO1 266440613 AKLQYZCRCBPXEM-GOSISDBHSA-N 384.436 1.891 0 50 GDAA O=C1CC[C@H]2CN(c3nnnn3Cc3cccc4c3OC(F)(F)O4)CC[C@H]2N1 1262447639 ITHSLCSZXQZTDA-CMPLNLGQSA-N 392.366 1.148 0 50 GDAA CCn1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)nc2ccccn12 2325793985 NHRLPUAKYFYHGI-STQMWFEESA-N 385.859 1.698 0 50 GDAA O=C1CC[C@@H](N2Cc3c(NC(=O)C(F)(F)C(F)F)cccc3C2=O)C(=O)N1 2325885775 OTVDOTRJQORPDS-SNVBAGLBSA-N 387.289 1.287 0 50 GDAA Cc1nn([C@@H]2CCOC2)cc1C(=O)Nc1nc2ccc(Br)nn2n1 2325893130 XMBSTPRLOCFWQP-SECBINFHSA-N 392.217 1.605 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)[C@H]3CC34CCCC4)C2)n2ccnc21)c1n[nH]cc1F 2332237611 DLAVZNOLEAXZJP-OCCSQVGLSA-N 398.442 1.738 0 50 GDAA NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1158753 HWUWUSSDRGAADF-UHFFFAOYSA-N 387.461 1.825 0 50 GDAA Nc1nc(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)n[nH]1 1298460 AWBDDIVAZIEQFJ-OAHLLOKOSA-N 398.854 1.949 0 50 GDAA O=c1[nH]cccc1NS(=O)(=O)c1ccc(I)cc1 4625417 HHFLKJFCTAZQGH-UHFFFAOYSA-N 376.175 1.780 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 11818195 VMJGSMVTHLFSPV-NRFANRHFSA-N 399.535 1.619 0 50 GDAA O=C(CCN1CCCO1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 11946065 ARMIWQJHIQEOBI-AWEZNQCLSA-N 387.527 1.292 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(CCO)C(C)C)cc2)CC1 12753636 BPTICHNRGAVTRJ-UHFFFAOYSA-N 392.496 1.936 0 50 GDAA CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 14966100 DTQLLJCKRAJSPZ-INIZCTEOSA-N 399.413 1.896 0 50 GDAA CCCN1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CC)C2=O)CC1 19742254 DIMGTLUMPYPJSN-JOCHJYFZSA-N 385.508 1.956 0 50 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376.380 1.142 0 50 GDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCc3n[nH]c4c3CCC4)ccc21 95369861 QPIIVGMXYXTSLS-ZDUSSCGKSA-N 380.452 1.286 0 50 GDAA CSc1ccc(C(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)cc1 96132885 KRPJUDKPSVSURZ-UGSOOPFHSA-N 377.466 1.549 0 50 GDAA C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCNC[C@H]1C 125036055 CMIPKVMAOSLJSY-NWDGAFQWSA-N 389.315 1.679 0 50 GDAA C[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1nnc(-c2ccccc2)n1 173194229 LEQOABJBJQUSIJ-LBPRGKRZSA-N 375.396 1.730 0 50 GDAA CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 173913222 SZSNPSCWIXVQPA-GOSISDBHSA-N 387.528 1.473 0 50 GDAA CS(=O)(=O)CC1(CC(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)CC1 186617704 YKWHDUIGSAUUCX-QGZVFWFLSA-N 379.526 1.767 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 218978429 NMQWLNVOWGZFTJ-FQEVSTJZSA-N 390.484 1.931 0 50 GDAA Cn1cc([C@H]2[C@@H](C(=O)NCC(=O)Nc3ccccc3)CC(=O)N2C(C)(C)C)cn1 225454564 NJESCKOFDZWFJX-LPHOPBHVSA-N 397.479 1.863 0 50 GDAA 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Cn1cnnc1SCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565507684 MAFBEOYVVWQCIF-KGLIPLIRSA-N 386.481 1.065 0 50 GDAA CN1CCN(C)[C@H](CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1 1704310933 VZUKHWLXHQXIQP-QGZVFWFLSA-N 399.495 1.154 0 50 GDAA O=C(c1cc(N2CCOCC2)no1)N1CCN(c2ccc(Cl)cn2)CC1 1772811179 QUVCZRYWUYUXLZ-UHFFFAOYSA-N 377.832 1.522 0 50 GDAA CCS(=O)(=O)N[C@H]1CCC[C@@H](NC(=O)CCc2ccc3c(c2)OCO3)C1 1857686416 VOVBUTDKLLUABR-CABCVRRESA-N 382.482 1.715 0 50 GDAA COc1ccccc1OC(C)(C)C(=O)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857692398 CKBDZNQXWHKRHN-OXJNMPFZSA-N 376.453 1.342 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CC[C@@]21CCCN(Cc2ccncc2)C1 1857712723 NVHVPKHBGHYQOJ-OAQYLSRUSA-N 381.480 1.894 0 50 GDAA CCCCS(=O)(=O)NCC[C@H]1COCCN1C(=O)c1cc(C)nc(C)n1 1857732027 YTZZOEZEJOIQEA-HNNXBMFYSA-N 384.502 1.044 0 50 GDAA CCc1c(C)cc(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)c(=O)n1C 1875248590 ZGEKFVVULWIDAJ-OXJNMPFZSA-N 376.453 1.334 0 50 GDAA O=C1CCCN1CC[C@@H]1CN(C(=O)CCn2nc(O)ccc2=O)c2ccccc21 1875264117 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Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1C[C@H]1NC(=O)c1n[nH]c3c1COCC3)CO2 2325872091 HJDNLFQKBAYJAI-IAOVAPTHSA-N 396.447 1.262 0 50 GDAA O=c1oc2ccccc2n1CCN1CCc2nc(-c3cccnc3)nn2CC1 2356165404 HDKFEXFWULGEFD-UHFFFAOYSA-N 376.420 1.806 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ncccn1)n2CCCc1ccccc1 1263736 OKYGZLUGBRIXBS-UHFFFAOYSA-N 394.460 1.997 0 50 GDAA COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 2520835 GCNJIQSSXRRIAN-UHFFFAOYSA-N 394.431 1.660 0 50 GDAA CCn1ncc(Cn2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)c1C 2808090 VKRUSKMPVZWHHU-CQSZACIVSA-N 394.501 1.066 0 50 GDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccccc3F)C[C@@H]12 14531705 KPJVIVMGWCIKFX-IHPCNDPISA-N 397.450 1.600 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC[C@@H](CO)C3)nc2)CC1 67788255 GWVLEBIXOWLCLV-QGZVFWFLSA-N 386.496 1.375 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC1(CO)CCC1)CO2 71708173 UJMRLPNCMRYULV-OAHLLOKOSA-N 375.469 1.255 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCOCC3)[C@H]4C2=O)c1 77299850 RVDRDCNYYAWYGO-OZIGNCPNSA-N 398.459 1.226 0 50 GDAA COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)cc1 91364589 TYPHWSNBWWKNMR-MOPGFXCFSA-N 386.496 1.776 0 50 GDAA CSc1ncccc1C(=O)N1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1 95363208 CKASKPAVUXFPJU-UONOGXRCSA-N 386.543 1.296 0 50 GDAA CSCC[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1nc2ccccc2[nH]1 95521990 CFWGTTLZKMVZGN-ZDUSSCGKSA-N 387.465 1.185 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cc(C)nn2C)CC1 96130882 FQLXLXQCMGVVMN-UHFFFAOYSA-N 382.472 1.605 0 50 GDAA O=c1c2ccccc2ncn1CCCc1nc(-c2ccncc2)nn1CCO 96140888 BMGZZNZVCWQXNP-UHFFFAOYSA-N 376.420 1.675 0 50 GDAA Cn1nccc1CN1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 162391175 FKAKSSMUNGGENJ-UHFFFAOYSA-N 378.483 1.653 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O 173936657 OLTWPULNMPRBSF-IBGZPJMESA-N 386.540 1.220 0 50 GDAA O=C(CCc1nc(-c2cccs2)no1)N1CC[C@@H](CN2CCOCC2)C1 174181460 PDLAVSNXVYPXOY-AWEZNQCLSA-N 376.482 1.911 0 50 GDAA CC(=O)N1CCCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 176670289 BDYFESKLWPRGPY-IBGZPJMESA-N 386.496 1.484 0 50 GDAA O=C(/C=C/c1ccc[nH]1)O[C@H]1CS(=O)(=O)C[C@@H]1OC(=O)/C=C/c1ccc[nH]1 225858174 HCVBIJIIVKSRCV-ACQBKSOZSA-N 390.417 1.321 0 50 GDAA CC(=O)Nc1cccc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 244874476 XBXCCHRNQVAPKZ-DDUZABMNSA-N 375.450 1.831 0 50 GDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N[C@H](CO)c1ccccc1 252548527 QAAFOKYHJRJHFQ-QZTJIDSGSA-N 381.432 1.941 0 50 GDAA CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)ncn1 263348003 PBFMKRHBYYZKOT-MELADBBJSA-N 376.461 1.239 0 50 GDAA O=C(O)CN1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 275288446 OZZAFYLKONXESF-UHFFFAOYSA-N 395.250 1.416 0 50 GDAA CN(C)CCn1nccc1NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 294146678 RFBMZSKGCWSISA-OAHLLOKOSA-N 376.505 1.747 0 50 GDAA Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@H]1Cc1ccccc1)c(=O)n2C 299623150 PFFISRGUEZWIFC-INIZCTEOSA-N 395.463 1.058 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299759743 OQHVEQZFTJNQBH-IRXDYDNUSA-N 377.408 1.798 0 50 GDAA 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1.156 0 50 GDAA COc1ccc(CNC(=O)C2CCN(C(=O)NCc3n[nH]c(C)n3)CC2)cc1 426618097 JBLTWMOFNHUVCA-UHFFFAOYSA-N 386.456 1.360 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)ccc1O 670433735 GNEVDGQCRAZNLB-NSHDSACASA-N 394.405 1.267 0 50 GDAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCC(N2CCCS2(=O)=O)CC1 888102644 ZFPXGUPOJXDBTG-SJORKVTESA-N 395.529 1.576 0 50 GDAA O=C(c1cnccn1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(CC2CCC2)CC1 888103682 SXRIOMHLMQWGES-MOPGFXCFSA-N 398.511 1.349 0 50 GDAA C[C@@]1(C[C@@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)NC(=O)NC1=O 1322538425 NHKWFDDLYMABII-YUNKPMOVSA-N 397.435 1.247 0 50 GDAA CCc1nc(C)ccc1OCC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 1565529170 WOIORVKTXBOLPI-CABCVRRESA-N 381.498 1.214 0 50 GDAA CCCOc1ccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1CO 1704336193 VBJADMWPDIAXND-WMZOPIPTSA-N 378.469 1.185 0 50 GDAA CCn1ncnc1CN1C[C@H]2CN(Cc3cccc4[nH]ccc34)C[C@]2(CO)C1 1772805221 JYJZNNPSMAUTQA-DYESRHJHSA-N 380.496 1.706 0 50 GDAA CCc1cc(N2CCC(c3ccn(C)c(=O)c3)CC2)nc(N2CCOCC2)n1 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COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c(C)c1 91475462 UGVMJDQHHBJOAB-XMTFNYHQSA-N 376.497 1.793 0 50 GDAA CCOc1ncccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCOC)C2)C1 91645156 ZFEJAYVOUDFGHT-FQEVSTJZSA-N 375.469 1.972 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 95384920 OLCHTKICEPWUDN-MRXNPFEDSA-N 382.472 1.443 0 50 GDAA Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c1 95504260 SNOCQROOARNDPJ-HNNXBMFYSA-N 386.481 1.628 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)CN2C(=O)OC(C)(C)C2=O)n1 95508082 LJITVZLAVCERKB-LLVKDONJSA-N 380.401 1.070 0 50 GDAA O=C(Cn1ccccc1=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95511189 UGAVCOYAVVZZDZ-UHFFFAOYSA-N 377.448 1.894 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1NC(=O)N(C)C 95531831 SRFHMYAOJBINMO-QWHCGFSZSA-N 377.470 1.124 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnc(C)nc2)CC1 96133687 PIVDCEMYKMWOBV-IBGZPJMESA-N 376.501 1.765 0 50 GDAA CS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccco3)cc2)CC1 96152536 HRQFSXBRPFLHDJ-UHFFFAOYSA-N 379.438 1.968 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H]1CCCN1Cc1ccccc1 114642203 DDGWEQNHVXYQRO-GOSISDBHSA-N 383.496 1.552 0 50 GDAA CCN(CC)C(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 116532450 YSKPPTNOLLSCKZ-UHFFFAOYSA-N 379.486 1.088 0 50 GDAA O=C1CN(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(=O)N1 191469929 XDYRXPSBZRYWQE-NSHDSACASA-N 385.251 1.630 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)cc1 244884375 YLIBDDKCYGMLFT-QWQRMKEZSA-N 378.450 1.889 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)C1 262390473 ILHPORNEMGXLCV-QWHCGFSZSA-N 387.429 1.726 0 50 GDAA COc1ccccc1-c1nnc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)[nH]1 274877336 HBCXLRPSHRCYTO-LBPRGKRZSA-N 376.438 1.634 0 50 GDAA CN(C)CCn1nccc1NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 294146673 RFBMZSKGCWSISA-HNNXBMFYSA-N 376.505 1.747 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)O)C3)CC2=O)cc1OC 299743971 QFVVREOWOCRHSQ-QWHCGFSZSA-N 376.409 1.380 0 50 GDAA NC(=O)CCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299757327 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C[C@]1(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1(Cl)Cl 840892474 UAFPMSZJRHURNL-CYBMUJFWSA-N 395.264 1.363 0 50 GDAA CN(CCC(=O)NCCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 952969438 JKRFDKSJIBIFFG-CYBMUJFWSA-N 385.555 1.190 0 50 GDAA C[C@@H]1CCCCN1CC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952971754 XQXWTEDKBNKEIW-MRXNPFEDSA-N 375.469 1.737 0 50 GDAA O=C1C[C@H](C(=O)N(CCN2CCOCC2)Cc2ccco2)C2(CCCC2)O1 952983167 VBTHCRZZXOFREK-QGZVFWFLSA-N 376.453 1.816 0 50 GDAA Cc1cc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)n[nH]1 1073320072 ZPMPMLZZNOFDBL-VXKWHMMOSA-N 383.540 1.514 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCN3CCCC[C@H]23)cc1 1506415142 MEPNWHVZIWUBQU-MAUKXSAKSA-N 379.526 1.979 0 50 GDAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NC[C@@H](O)CO 1506429107 VLILJTYSYORPSW-SSDOTTSWSA-N 385.389 1.097 0 50 GDAA CCc1nn(C)c(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1CC 1529161811 QTGKJEGXHLQTFL-CQSZACIVSA-N 382.530 1.383 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)n[nH]1 1704300581 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CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 1875246901 GXVGNSQJIFOVHG-NEPJUHHUSA-N 380.388 1.536 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CCN4CCN(C)CC4)CC3)n[nH]c21 1875290517 NFRYDNKGIRFVIQ-CVEARBPZSA-N 389.544 1.922 0 50 GDAA O=C(c1[nH]cc2c1CCS2(=O)=O)N1CCN(c2ccnc3ccccc23)CC1 1875294759 WBVQFQJYACJRED-UHFFFAOYSA-N 396.472 1.855 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2c2ccccc2)cc1 1875305214 MUCBEJZBDQDTBA-QGZVFWFLSA-N 387.461 1.250 0 50 GDAA CO[C@H](C(=O)O)C1CCN(C(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 1875306089 RXJLJQPCMNGASD-QUCCMNQESA-N 388.464 1.861 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccccc1CS(C)(=O)=O 1875314571 GNFDDEGFUHEAFY-OLZOCXBDSA-N 391.493 1.917 0 50 GDAA COC(=O)Nc1ccc(S(=O)(=O)NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 1875331143 RKFWPGASQQZPIQ-DGCLKSJQSA-N 396.469 1.478 0 50 GDAA CC(=O)NCC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c[nH]1 1875332130 MFOMHESALMVVKV-MRXNPFEDSA-N 388.855 1.488 0 50 GDAA CN(CCN(C)C(=O)c1ccccc1-n1cccc1)C(=O)C[C@@H]1COC(=O)C1 1875333910 PQAMTTZVDSZINB-INIZCTEOSA-N 383.448 1.961 0 50 GDAA CN1C[C@@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)c1ccc(F)cc1F)C2 1875396214 ZAEGKFUSPPKCKD-HNNXBMFYSA-N 387.434 1.992 0 50 GDAA CN(CC(=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)Cc1ccccc1 1875402499 HWHVJLUOLWGZRF-KBAYOESNSA-N 376.888 1.924 0 50 GDAA CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3Cc4nn(C)cc4C(=O)N3)cc21 2325825792 BSWUZOCFDIZBSA-KRWDZBQOSA-N 380.452 1.230 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)N=c3[nH]oc4ccc(F)cc34)CC2=O)s1 2356149790 BJFSIYLRIOYSHB-MRVPVSSYSA-N 391.384 1.378 0 50 GDAA CC(=O)Nc1ccccc1SCC(=O)Nc1nnc(CC(=O)N(C)C)s1 2356162527 FAKIZUIFGWPOCZ-UHFFFAOYSA-N 393.494 1.858 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cc(C3CC3)on2)CC[C@H]1NS(C)(=O)=O 2356163434 CQHKEJAOXDBALU-YSVLISHTSA-N 399.513 1.681 0 50 GDAA COC(=O)[C@H](CCSC)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1907692 ABPLCXAGCAZQED-AWEZNQCLSA-N 379.434 1.891 0 50 GDAA biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)cc1Cl 2882107 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GDAA COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 4821431 FNQOIKXFYZIHEG-NSHDSACASA-N 380.397 1.918 0 50 GDAA CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 56605767 HKXQADAQPPSVBV-UHFFFAOYSA-N 382.486 1.317 0 50 GDAA CC(C)CN(C)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 67896494 POXNGRIIZKJYLE-QGZVFWFLSA-N 389.496 1.861 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1ccc(N)nc1)CO2 71762198 JHNSSZQMFHJCPY-HNNXBMFYSA-N 399.451 1.266 0 50 GDAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 172033569 RHYRPPZONLSAQQ-OAHLLOKOSA-N 376.482 1.728 0 50 GDAA Cc1noc(C)c1NC(=O)N1CCC([C@]2(c3cccnc3)NC(=O)NC2=O)CC1 67850660 CAKWAJBLFALCBE-LJQANCHMSA-N 398.423 1.665 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@]2(CCCOC2)O1 330081833 PVOADEUZALNQAN-QAPCUYQASA-N 392.481 1.285 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN3CCSCC3)C2=O)c1OC 67674547 ZBUYTQBAUJPPJX-IBGZPJMESA-N 380.510 1.606 0 50 GDAA COc1cc(C(=O)NCCN2CCOC2=O)ccc1OC1CCN(C)CC1 12200596 MPSGYEAEWZWVRF-UHFFFAOYSA-N 377.441 1.350 0 50 GDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1cccc(CS(C)(=O)=O)c1 252673320 QZPJNVSUGHAZMM-DARAHFNDSA-N 380.466 1.940 0 50 GDAA CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 36360483 BDZBAMVAIXLVLK-ZDUSSCGKSA-N 388.449 1.324 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)C2)n1 328614825 WZQZVTASWXBUNM-GOSISDBHSA-N 392.481 1.297 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cnc4onc(CC)c4c3)C2)n1 328611830 MUQFOKRKHUZEBY-INIZCTEOSA-N 393.425 1.013 0 50 GDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 72126555 NDSSVENNODXMBU-GOSISDBHSA-N 396.491 1.810 0 50 GDAA C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)N1CCCC[C@H]1C 363270592 AHGMWNGPWZERMM-VYDXJSESSA-N 387.480 1.903 0 50 GDAA Cc1noc(CN2CCN(C(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)CC2)n1 329249657 TWVOLYXAKJPICY-FXAWDEMLSA-N 397.479 1.632 0 50 GDAA O=C(CN1CCC[C@H](Cn2ccnn2)C1)N1CCN(Cc2ccsc2)CC1 333344829 QAYGERUGNXUZHU-KRWDZBQOSA-N 388.541 1.396 0 50 GDAA 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O=C(Cc1csc(-c2ncccn2)n1)N[C@@H]1CCCN2CCSC[C@H]12 2325763297 RFGNWQYQKJFPDE-ZIAGYGMSSA-N 375.523 1.839 0 50 GDAA O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1C[C@H](Cn2cc(C(=O)O)cn2)C[C@H]1O 2325786226 VJUKHHVFVZJUQT-GDIGMMSISA-N 396.447 1.951 0 50 GDAA COCCn1cc(C(=O)N2CC[C@]3(CCCN(C)C3)[C@@H](C)C2)c(=O)cc1C 2325806324 GQDSXLRHUIIYEL-KKSFZXQISA-N 375.513 1.997 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C 814626 PRAHPUSVTQUUHN-UHFFFAOYSA-N 382.482 1.263 0 50 GDAA CCn1ncc(S(=O)(=O)N2CCC[C@@]23CCCN(CCOC)C3=O)c1C 2356146935 APCXMTFQTZOSGM-QGZVFWFLSA-N 384.502 1.004 0 50 GDAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCO 3004007 OVFRIMWNMLEONJ-UHFFFAOYSA-N 382.869 1.639 0 50 GDAA CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2-n2cccn2)C1 252493459 NCLPSJDFPCWBRX-GFCCVEGCSA-N 397.888 1.929 0 50 GDAA CO[C@@H](C(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1)c1ccccc1 65397656 ZBQSGIRGVVFHRN-LJQANCHMSA-N 398.463 1.476 0 50 GDAA O=C(O)c1csc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 327226474 JLIBSUORBARYLM-UHFFFAOYSA-N 384.435 1.524 0 50 GDAA O=C1[C@@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCCN1Cc1ccc(F)cc1F 329180664 NXFZLLBQCLEJBC-RRQGHBQHSA-N 384.448 1.575 0 50 GDAA Cc1ccn(-c2cc(N3CCN(C(=O)COc4ccccc4)CC3)ncn2)n1 72436962 GTOPWUGPHMYPTB-UHFFFAOYSA-N 378.436 1.698 0 50 GDAA Cc1cccc(CN2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72421801 MBRSTZYIQFDRIV-RBUKOAKNSA-N 385.489 1.514 0 50 GDAA CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCc3ccccc3OC2)cn1C 367187847 SMXDMDPHPUCPBY-CQSZACIVSA-N 377.466 1.399 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)CC[C@H](C)N3CCOCC3)CC2)cc1 77436688 NNFSWTPGSBBASH-KRWDZBQOSA-N 389.496 1.481 0 50 GDAA Cc1occc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71639177 SIJRBWHVCLEXBC-KRWDZBQOSA-N 389.496 1.763 0 50 GDAA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCC(=O)O 217721108 LWRNBTUXXYYREA-LLVKDONJSA-N 377.349 1.133 0 50 GDAA biogenic CC(C)OCCS(=O)(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 374415297 LUUZISGVHVQRDI-GFCCVEGCSA-N 387.483 1.926 0 50 GDAA O=C(CCc1cc(Cl)no1)N1CCc2c(ncnc2N2CCOCC2)C1 77300122 GIWKYNPOJTUWNJ-UHFFFAOYSA-N 377.832 1.472 0 50 GDAA Cc1nn(CC(=O)N[C@H](C)Cc2cnccn2)c(=O)n1CCc1ccccc1 77471018 OMOPYLMCYBIVBF-OAHLLOKOSA-N 380.452 1.133 0 50 GDAA CC(C)CN1CCC(CNC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 426489776 RSCHSPUOXZPBTO-SFHVURJKSA-N 376.501 1.456 0 50 GDAA C[C@@H](CCn1cccn1)NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95353368 RKRGDMJHEHBTTA-HNNXBMFYSA-N 382.468 1.815 0 50 GDAA CCn1ccnc1C1CCN(C(=O)[C@H]2Cc3ccccc3S(=O)(=O)N2)CC1 95511202 FGTMYKMUWVFWMQ-MRXNPFEDSA-N 388.493 1.512 0 50 GDAA CCN(C)S(=O)(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91656766 HPKHPGQKSMMRMX-UHFFFAOYSA-N 380.514 1.483 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 97743589 VFELTITUCHHCRR-CQSZACIVSA-N 379.420 1.984 0 50 GDAA CCc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1 96167219 CJHYDWKCXFRVNK-UHFFFAOYSA-N 383.456 1.939 0 50 GDAA CC(C)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCCN[C@@H]3C2)c1 95530086 XXGMIAQWEJRNBJ-FUHWJXTLSA-N 379.526 1.835 0 50 GDAA CN(C)S(=O)(=O)c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)cc1 244874232 WWYWOCNNHIRHOS-BETUJISGSA-N 377.470 1.160 0 50 GDAA CO[C@@H]1O[C@]23CC[C@@]4(O)CC(=O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C(=O)CO 253595883 KBOHKNKCARNXLE-OREHGWOGSA-N 392.492 1.996 0 50 GDAA c1ccc(N2CCN(c3ncncc3-c3nc(-c4cnccn4)no3)CC2)nc1 263618327 SKHZMTZLYAQOQW-UHFFFAOYSA-N 387.407 1.705 0 50 GDAA Cn1ncc(Cl)c1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299779734 SQRNKQDBQUYDHR-UHFFFAOYSA-N 376.848 1.342 0 50 GDAA Cc1nc(SCCNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)n[nH]1 825261681 OIZVIEVKCGTDEP-MWABVPJASA-N 387.513 1.909 0 50 GDAA Cc1ccn(CCC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 670443461 KRYPFIKARYOXSA-NFOQDIRWSA-N 379.508 1.265 0 50 GDAA Cc1nccn1CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670462945 KIAVFYLHOXXBOZ-QUENFVSXSA-N 379.508 1.265 0 50 GDAA Cn1c(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc2c1c(O)nc(=O)n2C 674065091 XZATYKJYLRXWGP-LLVKDONJSA-N 380.408 1.898 0 50 GDAA CSc1ccnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)n1 1875266760 FXRPNXFIVKYDOY-GFCCVEGCSA-N 380.451 1.364 0 50 GDAA CON1CCC(Cc2nc(-c3cc(C)c(CS(N)(=O)=O)c(C)c3)no2)CC1 1875313234 MNTVJRNZNGDYLH-UHFFFAOYSA-N 394.497 1.958 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3c(ccn3C)c2)ncn1 1875401227 UQBDDXNSCBRXIL-HZPDHXFCSA-N 380.452 1.380 0 50 GDAA COc1ccc(NC(=O)CC[C@@H](C)N2CCN(C)CC2)cc1C(=O)N(C)C 952976357 RJRQACMLRGLRTM-OAHLLOKOSA-N 376.501 1.752 0 50 GDAA Cn1nnc(CN2CCC(c3ncc(C(=O)N4CCCC(C)(C)C4)o3)CC2)n1 888103418 ZMIICGNEJSFFDC-UHFFFAOYSA-N 387.488 1.840 0 50 GDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1ccccc1-n1cccn1 1565530026 XFXQASINUMMCBR-WMZOPIPTSA-N 383.477 1.694 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn34)CCO2)o1 275246810 GEBAAVSAPYNHPG-SNVBAGLBSA-N 397.844 1.695 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)O)C2CCOCC2)c1 408513316 QUGSHKPNGWMIBM-UHFFFAOYSA-N 389.857 1.839 0 50 GDAA O=C(Cc1ccc2cn[nH]c2c1)NCCC(=O)N1CCN(c2ccccc2)CC1 170610625 CKPBDKBIMUKSGD-UHFFFAOYSA-N 391.475 1.961 0 50 GDAA O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@@H](n2cncn2)C1 170600853 PZGOAFPPNYKSQC-MRXNPFEDSA-N 389.481 1.125 0 50 GDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC2(C(=O)O)CCOCC2)s1 1506417304 IGVAVVDMAJJKRC-UHFFFAOYSA-N 386.451 1.932 0 50 GDAA O=C(O)[C@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CC12CCOCC2 1800410383 SKBZQQLHZXDBKM-CYBMUJFWSA-N 395.839 1.994 0 50 GDAA CC[C@]1(C(=O)OC)N[C@@H](c2cc(F)c(OC)c(F)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210168254 XQUCLTMEBXJOBY-RSLFNQERSA-N 382.363 1.171 0 50 GDAA CCCc1nc(N2CCCN(C(=O)c3ccccc3-n3cncn3)CC2)no1 1772813356 YBJABPBFYZWCFG-UHFFFAOYSA-N 381.440 1.955 0 50 GDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)CCc3ccnn3C)CC2)C1 1775983513 ZBDOMKASQGSJCW-QGZVFWFLSA-N 377.489 1.118 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)N1CC3(CNC(=O)N3)C1)C2 1772811522 VEUCBCXJCIOPHI-NSHDSACASA-N 387.465 1.414 0 50 GDAA O=C(O)CC[C@]12CN(C(=O)CCc3cccnc3)C[C@@H]1CN(c1ncccn1)C2 1775982480 WDKFMJSICADQQS-DYESRHJHSA-N 395.463 1.634 0 50 GDAA COC[C@H](O)CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11821183 BDKWPGNFGVBKHL-LJQANCHMSA-N 399.491 1.862 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(-n2cccn2)cc1 12023323 TUGDBISYMDKNSJ-SFHVURJKSA-N 383.496 1.725 0 50 GDAA COCCOc1ccc(C(=O)N[C@H]2C[C@H](Cn3cc(Cl)cn3)C[C@@H]2O)cn1 1857531311 GQWKPWRXBVLWCD-RCBQFDQVSA-N 394.859 1.526 0 50 GDAA Cc1c(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)cnc2ccnn12 1857673065 MRAKWLXNXXVTCG-NRFANRHFSA-N 391.431 1.927 0 50 GDAA CNCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CCCCC3)sc12 1857705368 DSMUWNRIXGLBOW-UHFFFAOYSA-N 391.537 1.984 0 50 GDAA C[C@H](C(N)=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)C(=O)CCO2 1857711535 FKYJCMSYLDDVRH-CQSZACIVSA-N 379.888 1.797 0 50 GDAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)CN3CCOC3=O)[C@H]3CC[C@]2(C1)O3 1857714195 MWGZCOWJKCLTAS-TVKQPGBESA-N 377.485 1.391 0 50 GDAA CCn1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)n1 1857717420 OSHJIJJCSLONNY-OALUTQOASA-N 385.468 1.213 0 50 GDAA COC(=O)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCCN(c4nc5ncccc5o4)C3)C[C@H]21 1857723866 ZVUZWLQEJIJMHI-SZOQZIPDSA-N 384.436 1.707 0 50 GDAA CCCc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)cc2)[nH]1 1857736099 KMMMHYYBXROZBM-CCKFTAQKSA-N 385.464 1.730 0 50 GDAA CCn1c(=O)n(CC)c2cc(NC(=O)c3cn4c(n3)CCNCC4)c(C)cc21 1857738727 VTYDGGZKRCQGQN-UHFFFAOYSA-N 382.468 1.746 0 50 GDAA Cc1ccccc1N(CC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)S(C)(=O)=O 221916232 KVBXAVMHGFAYND-INIZCTEOSA-N 397.541 1.065 0 50 GDAA O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 363712064 SFDDGRDVIXFSCN-AZUAARDMSA-N 385.508 1.908 0 50 GDAA C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CCN1 155148076 VNQOILPZBTWXJN-QMMMGPOBSA-N 379.251 1.426 0 50 GDAA CN(C)C(=O)CN1CCC(NC(=O)N2CCC(Cc3cccnc3)CC2)CC1 378424753 NODLNRUXGWVECN-UHFFFAOYSA-N 387.528 1.598 0 50 GDAA Cc1ccn2ncc(C(=O)O[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)c2c1 837815411 MFJPFEGKBOAXAC-XJKSGUPXSA-N 393.465 1.127 0 50 GDAA Cc1noc(C)c1CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)CCO 2100543141 MUGZTYZWAXIZBF-UGESXGAOSA-N 399.491 1.367 0 50 GDAA O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1C[C@@]23CC[C@]2(COC3)C1 2325766607 FKPUVIQZTCQNBJ-RTBURBONSA-N 388.445 1.246 0 50 GDAA O=C(NCc1cc(-c2cccc(Cl)c2)on1)C(=O)N1CC[C@](F)(CO)C1 2325783890 JITLFYVTSRGDMZ-QGZVFWFLSA-N 381.791 1.544 0 50 GDAA CN1CCN(Cc2ccc(C(=O)Nc3c[nH]nc3-c3cnccn3)cc2)CC1 2325784410 BAFHHRNRZHJWJV-UHFFFAOYSA-N 377.452 1.866 0 50 GDAA CSC1CC(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 2325808725 BUIXPHVSJJLZDJ-UHFFFAOYSA-N 393.484 1.368 0 50 GDAA CC[C@H](COC)C(=O)N[C@@H]1CN(C(=O)c2cnn3c(C)cccc23)C[C@@H]1F 2325828047 XLXHLIQWIGGOJH-VNQPRFMTSA-N 376.432 1.594 0 50 GDAA CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@]2(C)CCCCNC2=O)[nH]1 2325860467 IZPXWSIUYAMNFR-QEEYODRMSA-N 388.468 1.291 0 50 GDAA Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n1 2356146987 CNTBVVHHRHNXPQ-NRJQMVOHSA-N 393.491 1.948 0 50 GDAA O=C([C@@H]1CCn2nccc2C1)N1CCc2nc(CCc3ccccc3)nn2CC1 2356150223 RVRXMAKAEGPGOR-GOSISDBHSA-N 390.491 1.907 0 50 GDAA O=S(=O)(NCCSc1nnnn1-c1ccccc1)c1ccc(F)cc1 2869532 MDEPYEMVTYJUPQ-UHFFFAOYSA-N 379.442 1.872 0 50 GDAA CCNc1nc(N(C#N)CCOc2ccc(C)cc2)nc(N2CCOCC2)n1 4488310 WWYSEPIABMHIHJ-UHFFFAOYSA-N 383.456 1.815 0 50 GDAA CC(C)(C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(F)c2)C1)C(N)=O 414324543 ITXUKXBODSISQU-LLVKDONJSA-N 386.445 1.826 0 50 GDAA CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)C[C@H](C)OC 225698364 PBROTOYISLUPPS-NSHDSACASA-N 379.504 1.145 0 50 GDAA Cc1nn(C)c(N2CCOCC2)c1CNCC1(N2CCCCC2)CCOCC1 111403547 PZMOHOAGBBOYRT-UHFFFAOYSA-N 391.560 1.690 0 50 GDAA COc1cccc(-c2ccnc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c23)c1 57531105 IOQKYNZLGRFIKX-UHFFFAOYSA-N 379.420 1.695 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)CCN2CCCC2)n1C[C@@H]1CCCO1 23373353 FUMODZCHMGUOMN-SFHVURJKSA-N 398.573 1.773 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCN3CCCC3)C2=O)c1 67489754 PSVUMQSTODCKAR-NRFANRHFSA-N 393.503 1.715 0 50 GDAA O=C(Nc1ccccn1)c1ccc([C@@H]2CCCN2C(=O)Cn2cnnn2)s1 23379790 XYNCCWOOHRXMOQ-LBPRGKRZSA-N 383.437 1.746 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 1506400494 VXLFQPVDKMPSPW-UHFFFAOYSA-N 377.466 1.787 0 50 GDAA CCN1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1 67514800 ZJZMNSMUIFJDCN-UHFFFAOYSA-N 387.528 1.160 0 50 GDAA CN1CCC2(CC1)CN(C(=O)CCC(=O)Nc1cccc(F)c1)CCN2C 67896026 SIWAOSBAPRLXDR-UHFFFAOYSA-N 376.476 1.783 0 50 GDAA CN1CCC(NS(=O)(=O)c2ccc(I)cc2)CC1 6638535 PYPFDMIBBHUOEE-UHFFFAOYSA-N 380.251 1.664 0 50 GDAA Cc1cccc2nc(CN(C)C(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)[nH]c12 12305561 DTNCWCCLFNVBFX-QGZVFWFLSA-N 383.496 1.963 0 50 GDAA CNC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 435943000 CKNRPBJXALSLTQ-OAHLLOKOSA-N 383.404 1.139 0 50 GDAA CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O 30726646 HKQZUYOVMYOFIT-JEJCSOMWSA-N 377.525 1.251 0 50 GDAA biogenic,in-vitro Cc1nc(CN2CCN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)oc1C 363179599 NRENQNZYCQELKF-UHFFFAOYSA-N 395.467 1.900 0 50 GDAA CCCNC(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 363118237 UTQBASWTKYJZQJ-UHFFFAOYSA-N 399.451 1.134 0 50 GDAA Cc1ccc(C(=O)NCCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cc1 363758852 WHKZYBYRQIDPIZ-GOSISDBHSA-N 398.438 1.747 0 50 GDAA Cc1ccccc1C(=O)N1CCCC[C@H]1C(=O)NCCS(=O)(=O)C(C)C 368219366 BZWPZYNTBXCYHD-KRWDZBQOSA-N 380.510 1.929 0 50 GDAA CCn1cc(CNC(=O)C[C@H]2COCCN2C(=O)Cc2ccsc2)cn1 72476400 PCQAUMWSKFYFQS-INIZCTEOSA-N 376.482 1.441 0 50 GDAA Cc1nn(C)cc1CNC(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71770863 PZDKRAODUZLWQU-KRWDZBQOSA-N 387.528 1.458 0 50 GDAA O=C(CSc1nnnn1Cc1ccccc1)Cn1cnc2ccccc2c1=O 30952963 JQEGSKGFKANFJH-UHFFFAOYSA-N 392.444 1.793 0 50 GDAA Cc1ccc(CN2CCN(CCC(=O)Nc3nccs3)C[C@@H]2CCO)o1 72408667 ZARAQXNAJNNMBP-HNNXBMFYSA-N 378.498 1.942 0 50 GDAA C[C@H](O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O 77298950 RDCNLUAXEXXUMJ-INIZCTEOSA-N 380.448 1.452 0 50 GDAA CO[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)C1 214966308 FQSVOCCZYTYPNN-HNNXBMFYSA-N 379.438 1.404 0 50 GDAA C[C@H]1CN(S(=O)(=O)NCc2ccccc2CN2CCC[C@H]2CO)C[C@@H](C)O1 242047856 VQRHJNAXZACSFO-FCEWJHQRSA-N 397.541 1.087 0 50 GDAA C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)CC2(CCOCC2)O1 284801595 HSZGANRJMZUQOD-GFCCVEGCSA-N 377.416 1.913 0 50 GDAA O=C([C@H]1CCCN(C2CCN(c3nc(CO)cs3)CC2)C1)N1CCOCC1 71752717 BKCVNKUPWXASQV-HNNXBMFYSA-N 394.541 1.175 0 50 GDAA CC[C@@H]1[C@@H](NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)[C@@H]2CCO[C@@H]21 223521407 XQMBEBFPCSCJFA-XMTFNYHQSA-N 378.494 1.465 0 50 GDAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(CN2CCOCC2)CC1 20207337 SGHVZDJYACUQPU-GOSISDBHSA-N 377.529 1.738 0 50 GDAA CC(C)N1CCC(CCNC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 426722395 HFLRDQAQRYVODQ-SFHVURJKSA-N 376.501 1.598 0 50 GDAA CCCNc1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cn1 91602516 WCJNJOVXNAJNJT-UHFFFAOYSA-N 383.500 1.918 0 50 GDAA CCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 95374763 NMHSUBQIWOIORQ-OAQYLSRUSA-N 388.512 1.486 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1CCn2nc([C@H](O)C3CC3)cc2C1 230570545 DFILXQLWLZLIIO-GOSISDBHSA-N 377.466 1.848 0 50 GDAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(Cc2ccccc2)C[C@H]1CO 91547831 DJBUKFOHFRGZPE-FQEVSTJZSA-N 377.448 1.586 0 50 GDAA O=C(c1cc(F)ccc1F)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96165834 SYTRHGFLAVZWFW-CWTRNNRKSA-N 378.375 1.750 0 50 GDAA CCn1c(C)nnc1SCCNC(=O)CCc1nc2ccccc2[nH]c1=O 91644822 KFVYOGZWWCNSFU-UHFFFAOYSA-N 386.481 1.684 0 50 GDAA CN1CCN(Cc2ccc(Cl)cc2)C[C@@]12CCC(=O)N(CC(=O)O)CC2 91644020 KEAIXXQTBUGYFX-IBGZPJMESA-N 379.888 1.923 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91713687 CYNWRSRGWYVBBP-GOSISDBHSA-N 380.514 1.593 0 50 GDAA COCc1nnc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)s1 252553258 VIUKXHIFCQSUNP-GFCCVEGCSA-N 389.437 1.728 0 50 GDAA C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H](Cc2ccccc2)C(=O)O)C1=O 268900742 DIMPXIUTJASRSH-GOEBONIOSA-N 382.416 1.860 0 50 GDAA CC(C)c1nnnn1CC(=O)N1CCC[C@H](CN(C)c2ncnc3c2CCC3)C1 1875310083 BYOILYNTTBZLTM-OAHLLOKOSA-N 398.515 1.450 0 50 GDAA O=C(CN1C(=O)CCCc2ccccc21)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402850 MKJMUKKDMZQOBW-SZVBFZGTSA-N 382.464 1.508 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc3c(ccn3C)c2)ncn1 1875400614 GIUNTPCEEHYLSD-IAGOWNOFSA-N 394.479 1.404 0 50 GDAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952973502 NOQZRDOWWPHTAQ-INIZCTEOSA-N 386.456 1.018 0 50 GDAA Cc1cnccc1N1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 952979294 IHMPYARSWQUBEN-FQEVSTJZSA-N 391.479 1.899 0 50 GDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1c(=O)c(C)nc3ccccc31)C2 1565529245 PHYQCZKLIRWKNX-CVEARBPZSA-N 382.464 1.564 0 50 GDAA CCCNC(=O)CN1CCC(NS(=O)(=O)Cc2noc3ccccc23)CC1 185680987 DXCMOAIUAWBCIG-UHFFFAOYSA-N 394.497 1.238 0 50 GDAA CS(=O)(=O)c1ccccc1C(=O)NCc1cccc(N2CCOCC2)n1 274873864 YDLJSAGIQANATO-UHFFFAOYSA-N 375.450 1.252 0 50 GDAA COc1nc2c(cc1C(=O)Nc1nnc(SCC(=O)N(C)C)s1)CCC2 1506413147 HVKADVFFJNGREA-UHFFFAOYSA-N 393.494 1.863 0 50 GDAA O=c1oc2ccccc2n1CCN1C[C@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772811436 WCZCDWYHNQIUQH-JTSKRJEESA-N 394.475 1.416 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)CC1 12755908 QUNHRCRELUKWPQ-QGZVFWFLSA-N 390.480 1.690 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)CCn2cncn2)C1)c1cc2ccccc2[nH]1 14948556 ITTLUALQAYHXCB-HNNXBMFYSA-N 380.452 1.818 0 50 GDAA CCOc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCCC3)C3=C2C(=O)OC3)cc1 169760791 DLKMWWRDZZRDAN-SFHVURJKSA-N 385.420 1.585 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3CCc4[nH]nc(C(=O)O)c4C3)CC2)c1 1857668081 UGBFHNQRIVLKRU-UHFFFAOYSA-N 383.452 1.123 0 50 GDAA COCCn1cnnc1CCn1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857681886 DBEPPEDCFKRTSB-UHFFFAOYSA-N 394.435 1.881 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccccn2)C1 1857683532 INTBPHRRQCTTQI-KAGYGMCKSA-N 386.540 1.911 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CN3CCOC3=O)C2)c2ccccc21 1857693731 KFBOXJSTQVKMGY-ZIAGYGMSSA-N 399.451 1.183 0 50 GDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc[nH]1)C2 1857694652 TYNOPKDNGCNUKE-LLGFUMIMSA-N 389.496 1.911 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CCc3cnccn3)C1)CC2 1857701931 ZJIVOGRDSBTJMX-FQEVSTJZSA-N 382.468 1.477 0 50 GDAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)O1 1857711304 SCFFKUDJGYUBML-IUODEOHRSA-N 376.457 1.136 0 50 GDAA Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(C3CCSCC3)C[C@]23CC[C@H]1O3 1857729785 GVIWIUPFTAOVLR-LUXYFRNMSA-N 378.498 1.483 0 50 GDAA CN1CC[C@@H](C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)CC1=O 137787600 WTAVROGYFAGEEE-YPMHNXCESA-N 383.242 1.950 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1F 1704297207 JXHWWORPKFOIGG-WBVHZDCISA-N 387.429 1.461 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NC2CC2)CC[C@@H]1NC(=O)c1cccn2cnnc12 2100545269 MCZLELXFUVYOHV-JQFCIGGWSA-N 385.468 1.702 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnc(-n2ccnc2)c1 2325785485 ASUYPAVSWYSCSZ-DAXOMENPSA-N 386.843 1.687 0 50 GDAA CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncc2c(F)cccn12)N(C)C 2325872612 GIMROAYCNGPAEQ-SDNTUTLCSA-N 387.459 1.389 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1 783864 AFRJNCOEIGCYSH-UHFFFAOYSA-N 389.477 1.807 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2c(C)noc2C)C[C@H]1NC(=O)c1cc[nH]n1 2356135692 OUSWDPSNNDTTFO-APHBMKBZSA-N 375.429 1.244 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4ncnn4c3)C1)CC2 2356146833 XIBJRPJDIIMWAP-FQEVSTJZSA-N 377.452 1.706 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 2994734 WPQKJCDEXACFQG-UHFFFAOYSA-N 381.841 1.844 0 50 GDAA C[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67787933 LWNLSXXGMIUJDN-LBPRGKRZSA-N 385.424 1.375 0 50 GDAA O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 20426304 SBXFEZJGLPVCSG-UHFFFAOYSA-N 392.459 1.424 0 50 GDAA CN1CCCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 71738727 LJKAYCARAQHZGO-OAQYLSRUSA-N 399.583 1.922 0 50 GDAA O=C1CC[C@@H](CC(=O)N2CCCn3nc(-c4nc5ccccc5[nH]4)cc3C2)N1 67804459 BFRNEHPZUOQBAK-ZDUSSCGKSA-N 378.436 1.827 0 50 GDAA CN(CCN1CCc2nn(CC(=O)N3CCCC3)c(=O)cc2C1)c1ccccc1 128775305 YHAOKLXNFHADIL-UHFFFAOYSA-N 395.507 1.360 0 50 GDAA C[C@H](Cc1cccs1)C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 328640213 PWLBTLJLYLMDPZ-OCCSQVGLSA-N 375.498 1.737 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3ccc4c(c3)C(=O)OC4)O2)n1 328610839 JGAXDAFSEWEQJI-RISCZKNCSA-N 379.394 1.247 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 155854354 YDTKZUUHBSNRMF-GXTWGEPZSA-N 380.474 1.373 0 50 GDAA C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCO1 262811580 UEYGGOGWWPHSIJ-ZFWWWQNUSA-N 396.465 1.033 0 50 GDAA N[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O 128813440 DGWPJTWWRDZZFX-MGPQQGTHSA-N 380.395 1.556 0 50 GDAA CN1C(=O)CO[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)[C@@H]1c1ccccc1 370118362 BPLBWMIOUOSLAX-VQTJNVASSA-N 395.463 1.114 0 50 GDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3n[nH]c4ccc(OC)cc34)CC[C@H]21 72426120 PGFDOYOVUFKNOZ-SUMWQHHRSA-N 385.468 1.244 0 50 GDAA CC[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262369029 FSZDKDLHUFMFLP-OLZOCXBDSA-N 379.804 1.257 0 50 GDAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCN(C(=O)c2ccc(O)cc2)CC1 378315320 MEPQRAZSKGMOBV-SFHVURJKSA-N 399.451 1.758 0 50 GDAA 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396.447 1.881 0 50 GDAA O=C(COc1ccc(F)cc1)N1CCCN(Cc2cnn3cccnc23)CC1 1775982195 RZCHVIDDTHXLAI-UHFFFAOYSA-N 383.427 1.982 0 50 GDAA CN(C)C[C@@]12CN(C(=O)Cc3ccccn3)C[C@@H]1CN(C(=O)c1cnsc1)C2 1772709489 KOUYOENFFGOJQK-UZLBHIALSA-N 399.520 1.243 0 50 GDAA COCCn1c(CN2CCC[C@H](CO)C2)cnc1S(=O)(=O)CCC(C)C 11664435 VCSVYNVVPGGXLA-INIZCTEOSA-N 387.546 1.554 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1n[nH]c2c1CCCC2 11935635 FOAJKHBUENEMPP-SFHVURJKSA-N 375.517 1.484 0 50 GDAA CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3C)cc(-n3cnnn3)c2)CC1 12453900 ZKISPTMWEKFAKQ-UHFFFAOYSA-N 390.447 1.942 0 50 GDAA C[C@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C1CC1 12586109 ZGHISIQJQUNODT-AWEZNQCLSA-N 395.525 1.865 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCC(OC)CC1 15064516 XPNXTLRUCUJWSZ-QGZVFWFLSA-N 375.469 1.023 0 50 GDAA CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccco1)CC2 19741146 FZHUOKVRJQIKRW-YJBOKZPZSA-N 387.484 1.779 0 50 GDAA CC(=O)Nc1cccc(C(=O)N2CC[C@H](n3cc(-c4nc(C)no4)nn3)C2)c1 169777901 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Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](Cn3cc(CO)nn3)C2)c(C)c1 63884913 NWXGALAOWINFRX-MRXNPFEDSA-N 378.498 1.797 0 50 GDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2nc(C)n3c2C(=O)N(CC)CC3)C1 67921956 IBFJBEGYBYLRDK-OAHLLOKOSA-N 384.484 1.973 0 50 GDAA CCSc1nnc(NC(=O)COC(=O)[C@H](CCSC)NC(C)=O)s1 22023113 SZIVWYMQWHTYPM-VIFPVBQESA-N 392.528 1.390 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)CCCC(=O)OC)CC2)CC1 20542651 LXSNMGXUQWSDBI-UHFFFAOYSA-N 381.517 1.513 0 50 GDAA CC[C@H](O)C(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 67692454 FZKRKUIZAPJGQZ-SFHVURJKSA-N 384.480 1.804 0 50 GDAA CCS(=O)(=O)N1CCc2c(ncn(Cc3nc(C4CCCC4)no3)c2=O)C1 328623897 CCGJOAYAKNKLAG-UHFFFAOYSA-N 393.469 1.040 0 50 GDAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1 1033785 MTSBBHQEEJSRHV-UHFFFAOYSA-N 386.433 1.936 0 50 GDAA CCn1ncc(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 1000100 UGVCUVDGQFLXBZ-UHFFFAOYSA-N 381.230 1.857 0 50 GDAA Cc1ccnc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1 71762269 UUQKUOBYWZDTRL-NHCUHLMSSA-N 381.524 1.585 0 50 GDAA CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 6490187 YNKDNGDVHLNPGR-VHMBPLKRSA-N 392.456 1.355 0 50 GDAA C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)N1CCCC[C@@H]1C 363270594 AHGMWNGPWZERMM-ZOBUZTSGSA-N 387.480 1.903 0 50 GDAA O=C(NC[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1)[C@@H]1CCCN1 261906923 SLVGRCYSKFHULY-RDJZCZTQSA-N 390.553 1.213 0 50 GDAA CC(=O)N[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CCN(C(C)=O)C3)C1 72152768 FMMMQODTEGNNJY-HNNXBMFYSA-N 380.452 1.158 0 50 GDAA COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1NS(C)(=O)=O 241515771 OHVSGJXGBBTUKZ-NBLIUIFLSA-N 380.422 1.528 0 50 GDAA CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC(=O)NC2CCOCC2)C1 173970246 SDRFKJNBBAXWNU-CYBMUJFWSA-N 379.423 1.404 0 50 GDAA O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 287479097 ICGKGXFAGVILCC-KBPBESRZSA-N 383.456 1.305 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1cc3ccccc3s1)C2 426642837 ASOVALUWIOPIGU-UHFFFAOYSA-N 390.490 1.938 0 50 GDAA O=C(NCc1nc(-c2ccccc2)no1)N1CCC(N2CCC[C@H](O)C2)CC1 426517990 USZQQKOVOYHTRV-KRWDZBQOSA-N 385.468 1.867 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)c3cc(=O)c(OC)co3)C2)CCC1=O 91817843 OZSQWKXZUFMKGM-IBGZPJMESA-N 378.425 1.140 0 50 GDAA Cc1ncsc1CCCNC(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 23338086 HKNVXSOMKCFMBZ-INIZCTEOSA-N 394.541 1.071 0 50 GDAA COc1ccccc1CN(CCO)C(=O)c1ccc(CN2CCN(C)CC2)o1 97527847 IBNUPEILOROEEF-UHFFFAOYSA-N 387.480 1.670 0 50 GDAA O=C(CN1CCN(c2ccccn2)CC1)Nc1n[nH]c(Cc2cccc(F)c2)n1 183253361 UDEYJVNCRLJGLN-UHFFFAOYSA-N 395.442 1.690 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CC[C@](C)(C(=O)O)C3)CC2=O)cc1OC 299746331 WRSVDCFEFFECID-BLVKFPJESA-N 376.409 1.380 0 50 GDAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1 534581814 MEZLFPMSSWYZGP-MRXNPFEDSA-N 383.452 1.003 0 50 GDAA CCn1c(CCNC(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)nc2ccccc21 534587215 OXLUGLJHIHVBLF-HXUWFJFHSA-N 385.468 1.241 0 50 GDAA COc1cccc2c1OCC(CN1CCN(S(=O)(=O)N3CCCC3)CC1)=C2 824801322 KWSWBSAEBMTXJT-UHFFFAOYSA-N 393.509 1.429 0 50 GDAA O=C(c1cncnc1)N1CCOC2(CCN(C3Cc4ccccc4C3)CC2)C1 828202280 YGLGFFWASPNTMR-UHFFFAOYSA-N 378.476 1.951 0 50 GDAA CNC(=O)c1ccc(CNC(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)o1 584886569 QEKXIBHJRYYLTF-HXUWFJFHSA-N 382.420 1.835 0 50 GDAA CCc1nccn1CCCNC(=O)c1ccccc1S[C@H]1CC(=O)NC1=O 823557490 ROGQIVOSYOVWDY-HNNXBMFYSA-N 386.477 1.773 0 50 GDAA COCCN1C[C@H](C(=O)NCC2(N3CCOCC3)CCCCCC2)CC1=O 824412449 TWDQRHRXVIQPQW-QGZVFWFLSA-N 381.517 1.023 0 50 GDAA NC(=O)C1(C(=O)NCCN(CCc2ccccc2)C(=O)c2ccco2)CCC1 1875346983 GNLYYHPWIJXIDX-UHFFFAOYSA-N 383.448 1.736 0 50 GDAA NC(=O)C(F)(F)C1(O)CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CC1 1875329907 JNMGWFZAKUSYRI-UHFFFAOYSA-N 396.316 1.325 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CC(c4ncc[nH]4)C3)C2)c1C 1875399597 DTKSVERKSPFYKE-HWOWSKLDSA-N 383.500 1.633 0 50 GDAA CN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1CS(=O)(=O)C12CCNCC2 1875287457 KYYAMKPQPIXCEV-CQSZACIVSA-N 390.427 1.626 0 50 GDAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(N3CCCC3)n2)CC1 952893821 WTXDKHZJEILGCT-AEFFLSMTSA-N 378.517 1.669 0 50 GDAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2nccc(N3CCCC3)n2)CC1 952893830 WTXDKHZJEILGCT-WMZOPIPTSA-N 378.517 1.669 0 50 GDAA COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1C(=O)N(C)C 952861467 ATOVYTCHURTQMF-QGZVFWFLSA-N 380.408 1.612 0 50 GDAA Cc1ncnc(N2CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)c1C 952967245 AGHCMIVMAOLGRE-IBGZPJMESA-N 393.491 1.758 0 50 GDAA CC(=O)N1CCC2(CC1)CN(c1c(C(=O)O)cnc3c1c(C)nn3C)CCO2 952963853 LFXLLXHYAALEPF-UHFFFAOYSA-N 387.440 1.193 0 50 GDAA O=C1O[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1CCCN1CCOCC1 1565508402 NAJDWYAEVVDCQC-MSOLQXFVSA-N 381.423 1.692 0 50 GDAA Cc1cc(CN2CCN(C(=O)C3CC3)[C@H]3CS(=O)(=O)C[C@H]32)cc(C)c1O 1565509012 KVJPSZNFONEBCZ-SJORKVTESA-N 378.494 1.229 0 50 GDAA CN1CCN(c2ccc(CNC(=O)CSC[C@@H]3CCCCO3)cn2)CC1 171361421 XLCPWVZXSJAWKD-KRWDZBQOSA-N 378.542 1.752 0 50 GDAA O=C(CN1CCc2ccccc2C1=O)NS(=O)(=O)Cc1cccc(Cl)c1 799647945 NXGCWULZKWCYSU-UHFFFAOYSA-N 392.864 1.985 0 50 GDAA CC(=O)c1ccc(C(=O)NC[C@H]2CCCN(CCn3cnnc3C)C2)s1 1506398173 MQXGICXCIJLFGN-OAHLLOKOSA-N 375.498 1.993 0 50 GDAA CN1CC(=O)N(CC(=O)N2CCCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O 1529160044 ZUURSWRZPFDGEG-IRXDYDNUSA-N 388.512 1.407 0 50 GDAA OCCN(Cc1ncc[nH]1)Cc1ccccc1OCCCCN1CCOCC1 1704326268 ZVGJLFXLHKOPJE-UHFFFAOYSA-N 388.512 1.895 0 50 GDAA O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@H]1COC[C@H]1Cc1ccncc1 1704348895 CYPYNWPLWOHCIN-KGLIPLIRSA-N 385.449 1.926 0 50 GDAA CCCCc1ncc(CN2C[C@@H]3CN(c4nc(CO)cs4)C[C@]3(CO)C2)[nH]1 1775980372 ZVRRSMQIFFKMEV-KUHUBIRLSA-N 391.541 1.632 0 50 GDAA Cc1cccn2ncc(C(=O)NC3CCN(C4CCS(=O)(=O)CC4)CC3)c12 1772706928 YKYASRRMGSIGFE-UHFFFAOYSA-N 390.509 1.414 0 50 GDAA OC[C@@]12CN(Cc3ncc[nH]3)C[C@@H]1CN(Cc1ccccc1Cn1cccn1)C2 1772807357 NLIRUVLCLZNZIX-RBBKRZOGSA-N 392.507 1.581 0 50 GDAA CCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 5894442 CMJCTPYRWRLGQH-UHFFFAOYSA-N 396.495 1.464 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1 11753849 SYXMKQCFAIRKEX-CQSZACIVSA-N 393.465 1.822 0 50 GDAA C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 11867215 KEJLIXOIQLDOLK-YVEFUNNKSA-N 393.399 1.289 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3nc4ccccc4[nH]3)C[C@H]2CO1 1857707737 ILBKDZPIWJXAKU-PMPSAXMXSA-N 394.479 1.919 0 50 GDAA CCN1CCN(CCOc2ccccc2-c2nccn2[C@@H]2CC(=O)N(C)C2)CC1 1857707941 AMFUANAMRGJADI-GOSISDBHSA-N 397.523 1.970 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cnc(O)c(Cl)c2)[C@H]1c1cnn(C)c1 1857720667 DWXVGJDJVSELJD-GJZGRUSLSA-N 379.848 1.318 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857723274 XWXABBISSPTHFF-WMZOPIPTSA-N 396.488 1.560 0 50 GDAA COCc1noc(CNC(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)n1 1857736356 QFMLNSFOCOVWLS-SNVBAGLBSA-N 387.421 1.495 0 50 GDAA Cc1ncc(C(=O)N[C@@H]2C[C@H](C(=O)NCCCc3ccccc3)C[C@H]2O)cn1 1875251030 RCNQOFZPRFABMV-QXAKKESOSA-N 382.464 1.403 0 50 GDAA C[C@H]1CN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CCN1 237624054 FRRMMCILOCXIET-NEPJUHHUSA-N 389.315 1.679 0 50 GDAA NCc1ccc(CC(=O)N2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 2325796067 QVUSJPWSENGYCB-UHFFFAOYSA-N 376.464 1.822 0 50 GDAA CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc2c(c1)NC(=O)CC2 2325803398 DUJKCPHGVWKYPJ-UHFFFAOYSA-N 396.451 1.516 0 50 GDAA C[C@@H]1CCCCN1CCC1CCN(C(=O)NCCCc2nnnn2C)CC1 898606124 CDLDUSCMNZXKPJ-MRXNPFEDSA-N 377.537 1.829 0 50 GDAA O=C(C(C(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2)N1CCOCC1 4844075 RVTTYURIBGTWDC-UHFFFAOYSA-N 376.497 1.537 0 50 GDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)C1=O 12003978 HSOJRXHBRSMEQT-LLVKDONJSA-N 387.417 1.350 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccnc2)cc1C 12300327 ZFQWBKWRHVVBMM-LJQANCHMSA-N 396.491 1.748 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 12469714 YDXFBLLSVBURRW-CQSZACIVSA-N 392.481 1.259 0 50 GDAA O[C@@H]1CN(Cc2cccc3c2OCO3)CC[C@H]1N1CCN(c2ccccn2)CC1 12706510 PKQDMGMGDBBODD-RTBURBONSA-N 396.491 1.568 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)cc(F)c1 14542027 FMRMLVQXXREAMK-KSZLIROESA-N 399.397 1.405 0 50 GDAA COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(C(N)=O)c1C 17079109 STHJMKUDLAHYCO-UHFFFAOYSA-N 387.461 1.939 0 50 GDAA CC(=O)N1CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 19229519 IYNKZTPQVMMHEL-OAQYLSRUSA-N 389.540 1.966 0 50 GDAA Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1Cl 19831170 LBAPUCAIGPUVCB-HNNXBMFYSA-N 379.888 1.840 0 50 GDAA COCc1nnc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)s1 44920189 CKEFAHSVBUBYJC-UHFFFAOYSA-N 375.385 1.686 0 50 GDAA O=C1NCC(=O)N2CCN(C(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]12 65506498 BYQXWDQWZBAWLG-INIZCTEOSA-N 380.404 1.653 0 50 GDAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCN(C)C(=O)C2)nc1 67673302 MMNWYZONHQAGLM-UHFFFAOYSA-N 384.484 1.500 0 50 GDAA O=C(c1cc2ccccc2o1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67692493 JPVXGMCVBSABSC-QFBILLFUSA-N 399.447 1.800 0 50 GDAA COc1coc(CN2CCC[C@](O)(CNC(=O)N3CCCC3)CC2)cc1=O 72163802 DMFKVLVYYCKIIM-LJQANCHMSA-N 379.457 1.171 0 50 GDAA Cc1cc(C)n(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC(C)C)C2)c(=O)n1 72411134 NZIYEAFSOQPMFY-ZWKOTPCHSA-N 388.512 1.746 0 50 GDAA CCc1ccccc1C(=O)N1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72462727 KATOHQJEBDLGAH-SJORKVTESA-N 378.494 1.355 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3ccc4nsnc4c3)C[C@@H]2C1 95365670 FGPXKTVBJUYIDO-RDTXWAMCSA-N 376.482 1.123 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(OCCO)cc1)CCN2C 95365686 XXBBSDMBZWPUQV-NRFANRHFSA-N 375.513 1.576 0 50 GDAA O=C(CN1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1)N1CCCCC1 95390705 DSYJWMZEMGTJEI-UHFFFAOYSA-N 381.480 1.847 0 50 GDAA CNS(=O)(=O)c1ccc(CCC(=O)N2Cc3nnc(C)n3[C@H](C)C2)cc1 96162213 SVOYFCARWQSLSN-GFCCVEGCSA-N 377.470 1.031 0 50 GDAA Cn1ncnc1[C@@H](NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)C1CC1 97551326 ZQDUJMQMEDGCGX-ZDUSSCGKSA-N 382.421 1.599 0 50 GDAA Cn1c(=O)c(C(=O)N2CCCN(C(=O)c3ccco3)CC2)nc2ccccc21 97674059 SVFFVOXXJIBWIO-UHFFFAOYSA-N 380.404 1.515 0 50 GDAA CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100070398 KPVNJWTUJVZBLZ-AEFFLSMTSA-N 393.399 1.993 0 50 GDAA O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCN(CCO)CC1 122426694 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COCCCC(=O)N1CCC[C@H]2CN(C(=O)c3cn(C(C)C)nn3)CC[C@H]21 1775991346 KIFZWYJXLFUONJ-DOTOQJQBSA-N 377.489 1.739 0 50 GDAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](CC(C)C)C(N)=O)CCSCC2)o1 1848443091 VBRGGCXMECYMSL-ZDUSSCGKSA-N 396.509 1.825 0 50 GDAA CCc1c(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)cnn1CC 1857529161 OYBOGEYYQTVQPC-MRXNPFEDSA-N 385.516 1.600 0 50 GDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnc4ccnn4c3C)C1)CC2 1857685605 ZLYQVFWGGCQAIF-FQEVSTJZSA-N 378.436 1.962 0 50 GDAA O=C(CCc1cn[nH]c1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857694179 DEILZGVPTTWBHC-UNMCSNQZSA-N 398.507 1.768 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCc4nc(C)[nH]c4C3)CC2=O)s1 1857718887 YFVMGBJBTSAGSC-NSHDSACASA-N 390.469 1.044 0 50 GDAA COC[C@]1(C(=O)NC[C@H](O)CNC(=O)c2coc3ccccc23)CCCCO1 1875345148 TWPFOZDYMIIAGY-VLIAUNLRSA-N 390.436 1.225 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3c(C)nn(C)c3C)C2)c1C 1875397319 VXQFXZUWNRTAHD-MRXNPFEDSA-N 385.516 1.514 0 50 GDAA O=C1CO[C@H](C(=O)NCc2ccc(-n3cncn3)cc2)[C@@H](c2ccccc2)N1 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1.042 0 50 GDAA CC1=C(C)C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C(=O)O)C1 870308 PMISDFYVNFJYPP-HOTGVXAUSA-N 380.466 1.440 0 50 GDAA CS(=O)(=O)N(Cc1ccco1)C[C@H](O)Cn1cc(C=O)c2ccccc21 2890454 PQBHBHHTOYBCMK-OAHLLOKOSA-N 376.434 1.870 0 50 GDAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccco3)C2)c1 4742144 LKAIUSLHGKPTPT-CQSZACIVSA-N 383.451 1.762 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)c1OC 11842727 OBRODBSSTGHDOE-QGZVFWFLSA-N 389.496 1.843 0 50 GDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(CC[C@H](C)O)CC1 11844632 OOSJUFQFWVDFPE-HNNXBMFYSA-N 380.485 1.686 0 50 GDAA O=C(NCCc1nnc2n1CCN(C(=O)C1=CCCC1)CC2)c1cccnc1 12004811 FCDLAIJSWIZEDD-UHFFFAOYSA-N 380.452 1.141 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NC1Cc2ccccc2C1 15078251 IGQIITUMXPCPBZ-FQEVSTJZSA-N 399.441 1.939 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 19821026 FZBHKVSQPFWGAK-YOEHRIQHSA-N 387.523 1.429 0 50 GDAA O[C@@H](CNC1CCCCC1)CN1CCN(C[C@H](O)CNC2CCCCC2)CC1 22467913 PLNXOLIDWMZROI-SZPZYZBQSA-N 396.620 1.170 0 50 GDAA O=C(c1ccoc1)N1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 23373918 MHSXVBOIDHZWOM-UHFFFAOYSA-N 385.464 1.424 0 50 GDAA CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 47748838 RRKFLIJNRVJYLN-SFHVURJKSA-N 392.544 1.227 0 50 GDAA Cc1cccc(OC2CCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)c1 65375393 BFFUJHXMLZLHGO-INIZCTEOSA-N 380.510 1.484 0 50 GDAA O=C(O)c1ccc(-c2noc(CN3CCC(O)(Cn4ccnc4)CC3)n2)cc1 67727372 SMXMJGOIDAXMRL-UHFFFAOYSA-N 383.408 1.658 0 50 GDAA COc1ccc(CCN2C[C@H](NC(=O)c3c(C)[nH]c(C)cc3=O)CC2=O)cc1 72165745 QOMYGSQNNRGJGP-MRXNPFEDSA-N 383.448 1.574 0 50 GDAA COc1cccc(-c2cc(CNC(=O)CCc3cc4n(n3)CCNC4)no2)c1 72410540 JMRWAFNVPROYBV-UHFFFAOYSA-N 381.436 1.899 0 50 GDAA Cc1cnn(CCC(=O)N2CCC[C@H](c3cc(N4CCOCC4)ncn3)C2)c1 72430916 PYPJICGBHHQOOY-KRWDZBQOSA-N 384.484 1.614 0 50 GDAA CCc1cc(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 72457933 FBXOVPSEBXIARJ-MOPGFXCFSA-N 375.494 1.720 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(-n3cccn3)c1)CCN2CC1CC1 72473920 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O=C(Cn1cccnc1=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704335969 DXQFQUSOQSXURR-UHFFFAOYSA-N 378.432 1.815 0 50 GDAA Cc1cc(C(=O)O)nc(N2C[C@H]3CN(CCc4ccccc4)C[C@@]3(CO)C2)n1 1772804512 ACYKYNGEESVDSJ-UTKZUKDTSA-N 382.464 1.456 0 50 GDAA COc1ccc(-c2nc(CNC(=O)[C@@H]3CCCCn4nnnc43)c(C)o2)cc1O 1857679588 NPRXZEQIRRCWAU-CYBMUJFWSA-N 398.423 1.935 0 50 GDAA Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857682384 OWAGVBKLJMNINW-STQMWFEESA-N 377.422 1.245 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 1857696774 CHVFWAQXXCGVNV-AWEZNQCLSA-N 381.461 1.989 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CCCNC(=O)C4)C3)nc2c1 1857697594 YDECDYRQFBDJBE-CQSZACIVSA-N 386.452 1.791 0 50 GDAA CC(C)CCN1CCOC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CC1=O 1857704315 NGPYUVMOYLHMJN-UHFFFAOYSA-N 384.502 1.228 0 50 GDAA Cc1ccc2cc(CN3C[C@@H](O)[C@H](CC(=O)O)C3)c(N3CCOCC3)nc2c1 1857725912 SQDIATJAYCQRSB-VQIMIIECSA-N 385.464 1.647 0 50 GDAA Cc1cc(C)n(CC(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(=O)n1 1857726964 IUEUHNMGYWHMRY-GBESFXJTSA-N 382.464 1.191 0 50 GDAA c1ccc(OCc2nc(-c3cn4c(n3)CCNCC4)n([C@@H]3CCOC3)n2)cc1 1857733015 QWIVUQNASLGEBX-OAHLLOKOSA-N 380.452 1.828 0 50 GDAA COc1cc(N2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)[nH]c(=N)n1 1857736475 QJLBFYHYGXAKQA-UHFFFAOYSA-N 375.473 1.286 0 50 GDAA N[C@@H](CC(=O)O)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 1875315529 YKGMTVRMTYNMPJ-FQEVSTJZSA-N 396.491 1.792 0 50 GDAA O=C(Cc1cn[nH]c1)NCC1CCN(C(=O)c2csc3nnsc23)CC1 1875342929 NOLOQVUHHMECLD-UHFFFAOYSA-N 390.494 1.687 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn(C)c3C3CC3)C2)n1 1875397062 JKJFNZCLAOWRME-MRXNPFEDSA-N 383.500 1.432 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN=c2[nH]cncc2-c2ccccc2)ncn1 1875399098 OQYPKJRLTSZMOI-HZPDHXFCSA-N 377.452 1.449 0 50 GDAA O=C(C[C@@H]1CNC[C@H]1O)N1CCC(OCc2ccc(Br)cc2)CC1 1875401592 LYHDKKUZEOZRQO-RHSMWYFYSA-N 397.313 1.927 0 50 GDAA Cn1cnc(NC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)n1 1940197304 GSMQPZDNAYKXEM-LBPRGKRZSA-N 383.437 1.249 0 50 GDAA COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cc(C4CC4)[nH]n3)C2)cc1 2100545567 XBLHGYALQVGWSC-POZUXBRTSA-N 398.463 1.481 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2ccccc2-n2cnnc2)C1 2356159403 YWWFXVIPPALOII-FQEVSTJZSA-N 375.436 1.590 0 50 GDAA COC(=O)[C@H](C)OC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1 1174857 LSYFTGBSFCXFHF-NSHDSACASA-N 389.412 1.514 0 50 GDAA O=c1nc2sccn2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 4708992 YETXFJDDVJFMRA-UHFFFAOYSA-N 385.854 1.584 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCSCC1 11874724 SOXFGKXKSQLOBR-INIZCTEOSA-N 377.510 1.351 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccn2)c1 12315400 HNXBIEQCJCCLIY-IBGZPJMESA-N 382.464 1.140 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ncccc1C 12448696 QKGPACLYYZLSBN-IBGZPJMESA-N 396.491 1.796 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2)c(F)c1 14974381 YWPITIJWOFPWJJ-IBGZPJMESA-N 385.439 1.841 0 50 GDAA Cc1cnc(CN(C)C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)[nH]1 15063385 AKTRLODVQLPHHX-LJQANCHMSA-N 378.423 1.982 0 50 GDAA C[C@H]1CN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](C)O1 16210979 YKDOQVWKXKMGMN-OKILXGFUSA-N 399.538 1.514 0 50 GDAA O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccc(Br)o1 19924294 KNYSZVNEPGZAQE-UHFFFAOYSA-N 377.202 1.860 0 50 GDAA COCc1cc(=O)[nH]c(-c2cccc(CN3CCC[C@@H](CNC(C)=O)C3)c2)n1 23231511 VEGUXOAKNIQYCQ-KRWDZBQOSA-N 384.480 1.931 0 50 GDAA CCn1c(CC2CCN(C(=O)c3ccc(CN(C)C)o3)CC2)nn(C)c1=O 67847869 CXEFENOHOQVSAV-UHFFFAOYSA-N 375.473 1.351 0 50 GDAA CCNC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71614428 XGFMIUNAQRDWIG-GOSISDBHSA-N 387.528 1.010 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cscn3)CC2)C1 71748798 CARYTEICGSEHFX-CQSZACIVSA-N 380.514 1.222 0 50 GDAA O=C(NCCn1cnnc1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71756788 YOXBFGRLBAUMEP-IBGZPJMESA-N 397.527 1.166 0 50 GDAA CCc1nnc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)o1 71758934 MAVRGAZALDHTFU-OAHLLOKOSA-N 379.505 1.071 0 50 GDAA Cc1cnccc1CN(C)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72469742 KEWKRRBVYGQCDE-CQSZACIVSA-N 375.498 1.687 0 50 GDAA CCN1CC2(CCN(C(=O)[C@H](C)Sc3nc(C)cc(=O)[nH]3)CC2)OC1=O 72480119 LLNMYRXUEICVNI-LBPRGKRZSA-N 380.470 1.392 0 50 GDAA CC(=O)N[C@@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)o1 95501872 WIWIYNFSORTOMU-QZTJIDSGSA-N 376.478 1.966 0 50 GDAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95511242 VLUZINXISKTLDY-FQEVSTJZSA-N 375.517 1.795 0 50 GDAA Cn1c(Cn2cncn2)nnc1C1CCN(Cc2nc3ccccc3[nH]2)CC1 96165281 UQNLUVVPBVHMFO-UHFFFAOYSA-N 377.456 1.711 0 50 GDAA COCC(=O)Nc1ccc(C)c(NC(=O)NCCSc2nc(C)n[nH]2)c1 96166766 MWFVSNNFLSKBRC-UHFFFAOYSA-N 378.458 1.920 0 50 GDAA Cc1cnn(C[C@H]2CN(C(=O)CCCc3nc4ccccc4c(=O)[nH]3)CCO2)c1 112063713 BJMOFDDMMQVZSD-MRXNPFEDSA-N 395.463 1.678 0 50 GDAA CC(C)c1csc(CNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 154069465 MCRUHQGBINDKTK-LBPRGKRZSA-N 376.486 1.995 0 50 GDAA O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc2c(c1)OCO2 169760084 UAFCPIOJVYUSPR-UHFFFAOYSA-N 380.404 1.420 0 50 GDAA C[C@H]1C(=O)NCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 189329130 LSXJCDRCGOXPAK-LBPRGKRZSA-N 379.507 1.924 0 50 GDAA CC[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccn[nH]3)o1)C2 218817671 XHTFHNKIJXBBRX-AWEZNQCLSA-N 377.426 1.514 0 50 GDAA COc1cc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c(C)cc1C 223592656 PDFKNNLWICGHLM-RWKZGTHUSA-N 379.482 1.836 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 247368325 GMLQIWWFMNZQHB-XSIBGMEISA-N 380.400 1.687 0 50 GDAA O=C(Cn1cc(-c2ccccc2)ncc1=O)N[C@@H](Cc1ccccc1)C(=O)O 252489067 JEGQPCVOPGGELT-KRWDZBQOSA-N 377.400 1.722 0 50 GDAA COc1ccc(-c2cc(C(=O)N[C@@H](C)CO)nn2[C@@H]2CCS(=O)(=O)C2)cc1 253410796 NSRXTKUGSQQMJI-GXTWGEPZSA-N 393.465 1.029 0 50 GDAA COCC[C@@H](NC(=O)c1ncc(Br)cc1Br)C(=O)O 262264028 FLOLZCVKQJXLTH-MRVPVSSYSA-N 396.035 1.826 0 50 GDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc(S(N)(=O)=O)c1C 299752722 VEFWVKIROQMVDC-SNPRPXQTSA-N 380.466 1.809 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCO[C@@H](c4cncn4C)C3)cc12 328620656 HFTULNQJFAKKFA-BLLLJJGKSA-N 390.469 1.209 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 329037715 RSUUOHRNNVRZOM-IHRRRGAJSA-N 377.407 1.109 0 50 GDAA CCCCN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 376474787 LUTNKSRERXTLSQ-QGZVFWFLSA-N 396.919 1.890 0 50 GDAA Cc1nn(C)c(S(=O)(=O)N2CCN(c3ncccc3F)CC2)c1C(F)F 416443550 WEMFWFPTJLXUGJ-UHFFFAOYSA-N 389.403 1.711 0 50 GDAA CCn1nc(CO)c2c1CCN(C(=O)NCc1nc(-c3ccccc3)no1)C2 426442827 COXQEAWNJVJHGM-UHFFFAOYSA-N 382.424 1.713 0 50 GDAA Cn1c(CNc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)nc2ccccc21 426574724 LNPYIHPXODCYGH-ZDUSSCGKSA-N 380.452 1.660 0 50 GDAA Cc1cc(C[C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n[nH]1 534577142 MKSSSFVOBGZJJH-AWEZNQCLSA-N 376.505 1.165 0 50 GDAA O=C(NC1(c2noc(C(F)F)n2)CCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 816928474 IGTPGWRWGHXBCF-LLVKDONJSA-N 399.379 1.233 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C2(CCCC2)O1 828244497 GCZYHBJXWNKJQN-MRXNPFEDSA-N 386.448 1.935 0 50 GDAA CN1CCN(c2ncccc2CNS(=O)(=O)c2ccc3ccccc3n2)CC1 866621050 XUMOLHYIDNECFF-UHFFFAOYSA-N 397.504 1.860 0 50 GDAA O=C(N[C@H]1CCCc2c(O)cccc21)N1CCC(N2CCCS2(=O)=O)CC1 886072163 YSCFFZPLMHQWJP-KRWDZBQOSA-N 393.509 1.979 0 50 GDAA NC(=O)c1cccc(C(=O)NC2(CN3CCN(c4ccc(F)cc4)CC3)CC2)n1 888100711 KEVUPPSNZGHRQL-UHFFFAOYSA-N 397.454 1.404 0 50 GDAA Cn1nccc1C(=O)NC[C@H]1CCCN(C(=O)C2(N3CCCC3)CCCC2)C1 952864214 JABLNOBJEIZDRQ-QGZVFWFLSA-N 387.528 1.797 0 50 GDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCC[C@H](CCC(N)=O)C3)cc12 952869220 YPYLPFDQBXRHNA-CYBMUJFWSA-N 377.466 1.915 0 50 GDAA CN(c1ccc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc1)S(C)(=O)=O 1704303471 ZXVSMXPUTLBIJZ-GOSISDBHSA-N 396.509 1.619 0 50 GDAA Cc1cc(N2C[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@]3(CN(C)C)C2)nc(N)n1 1772807625 ZSCPQKQOYVPFMN-QRWLVFNGSA-N 399.499 1.112 0 50 GDAA O=C(c1ccc2c(c1)CCCO2)N1C[C@H]2CN(Cc3cncnc3)C[C@@]2(CO)C1 1772809195 OTMHRLPOUMJTPN-KNQAVFIVSA-N 394.475 1.368 0 50 GDAA Cn1nccc1[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C[C@H]1N 1775960950 CERJIIHQHVHRDJ-VXGBXAGGSA-N 380.861 1.065 0 50 GDAA 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389.408 1.127 0 50 GDAA CC(C)[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1nncn1C 286071516 PSEYRZLZSQCTON-QGZVFWFLSA-N 387.488 1.588 0 50 GDAA CN(C)CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299767276 QLELVOIKYVNDRE-IBGZPJMESA-N 379.476 1.458 0 50 GDAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299769709 PMGJNKHAAWOQFG-HZPDHXFCSA-N 375.498 1.730 0 50 GDAA Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H]1CCn2ncc(C(=N)O)c2C1 328607541 WHEBCZXBDGQOSE-ZDUSSCGKSA-N 379.424 1.648 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2c1OCCO2 328612735 POFIQTHUVNQHEY-LBPRGKRZSA-N 378.454 1.986 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1ncc[nH]1 328631811 RJCCVIQKLCBOCS-AWEZNQCLSA-N 378.454 1.248 0 50 GDAA CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc1 363923931 HFMBBLBFHBVXQV-OAHLLOKOSA-N 396.509 1.960 0 50 GDAA C[C@](O)(CNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)c1ccco1 366008745 OJMSWHHYHAHICM-SFHVURJKSA-N 393.461 1.626 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)NS(=O)(=O)[C@@H]3CCOC3)C2)cc1 408386071 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Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(N2CCOCC2)ccn1 275980499 JXUJROJEYCSQHC-UHFFFAOYSA-N 383.452 1.711 0 50 GDAA Cc1ccccc1-c1cc(NC(=O)C(=O)Nc2cnc(N(C)C)nc2)n(C)n1 408518893 IMSFUZLVOUHCLT-UHFFFAOYSA-N 379.424 1.829 0 50 GDAA CCc1ccc(CN(C)C(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 726820904 FBUQTPQIXVGCPK-UHFFFAOYSA-N 398.459 1.815 0 50 GDAA O=C(NS(=O)(=O)c1cccc2nsnc12)C(F)(F)C1CCOCC1 797968518 ZIDOKFWNYCKXJB-UHFFFAOYSA-N 377.394 1.558 0 50 GDAA COCCc1noc([C@@H]2CCCN(c3cncc(C(=O)N4CCCC4)n3)C2)n1 1529112284 ITWMFTYWMKOGDA-CQSZACIVSA-N 386.456 1.669 0 50 GDAA COc1cc(OC)c(C(=O)N(CCN(C)C)Cc2cnc(C)[nH]2)cc1OC 1704314146 PXRWUJRRLLDEES-UHFFFAOYSA-N 376.457 1.948 0 50 GDAA CN(C)C[C@@]12CN(Cc3cccnc3N)C[C@H]1CN(C(=O)c1ccccc1F)C2 1772806487 AGHGKXICEQTAJX-JTSKRJEESA-N 397.498 1.939 0 50 GDAA CCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cc1)C2 1772706828 RLQGUZBEOABLPR-MSOLQXFVSA-N 384.480 1.511 0 50 GDAA C[C@]1(NC(=O)C2CCC2)CC2(CCN(Cc3nccs3)CC2)OC[C@@H]1O 1772705589 OJQSRZGDLPBQMV-YJBOKZPZSA-N 379.526 1.934 0 50 GDAA O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O 1857527514 DDJZIBAXIDURKX-NEWSRXKRSA-N 382.464 1.508 0 50 GDAA CN(Cc1ncccn1)C(=O)c1cc(Br)cc2c1NC(=O)CO2 1857531138 SSSXUFDLWQIOJJ-UHFFFAOYSA-N 377.198 1.842 0 50 GDAA CCOCC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@@]2(CCc2ccccc2)C1 1857671866 UTNOYOYSFPGSET-LAUBAEHRSA-N 397.479 1.375 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3nnc4n3CCCC4)C1)CC2 1857672101 JMVPZJBFLAIGRV-FQEVSTJZSA-N 397.483 1.296 0 50 GDAA O=C(CC1CCCC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2cnn[nH]2)C1 1857680109 GTLSMIADHKLSHJ-IGOJGBNBSA-N 387.484 1.750 0 50 GDAA CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccon3)C2)c1 1857681273 GHRQDJPFLOMSMV-ZIAGYGMSSA-N 391.449 1.549 0 50 GDAA C[C@H](C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1)N1CCN(C)CC1 1857700529 VUGJQENFKZVDRZ-QGZVFWFLSA-N 381.524 1.650 0 50 GDAA O=C(c1nc2ncccn2n1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857715122 CIYOPFGBLGNURG-ROUUACIJSA-N 392.463 1.802 0 50 GDAA COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](C)CC(=O)O)C(C)C)c1 262120345 GPGVROPBGJKRCX-SJKOYZFVSA-N 380.441 1.685 0 50 GDAA O=C(C[C@@H]1CCN(CC(F)(F)F)C1)Nc1cnn(CCN2CCCC2=O)c1 2325790960 AALOYUNZCHRPTO-ZDUSSCGKSA-N 387.406 1.718 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 986941 QLHRGQHIHDHEKX-KRWDZBQOSA-N 380.510 1.996 0 50 GDAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccnc3)C2)c1 9260819 OSOWBJKCDDESFA-INIZCTEOSA-N 394.478 1.564 0 50 GDAA O=C(CCc1nnc2ccc(N3CCOCC3)nn12)Nc1ccc(F)cc1F 9742761 FHGBJJHHVLVRSF-UHFFFAOYSA-N 388.378 1.810 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)Cc2cc(F)cc(F)c2)CC1 12051850 BRYOJVLYEJKGPK-UHFFFAOYSA-N 388.418 1.887 0 50 GDAA Cn1cc(/C=C/C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cn1 12207025 AGZBOUSWMGGOKH-UZYOAWRESA-N 394.522 1.712 0 50 GDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 12744754 FNYRAVZKWNOCMD-HXUWFJFHSA-N 384.484 1.587 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1 12750409 KNLFUTWUAFNQFX-HNNXBMFYSA-N 389.477 1.921 0 50 GDAA Cc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 19770790 ZEVUJXZMLXQXAC-UHFFFAOYSA-N 376.464 1.970 0 50 GDAA CN1CCN(CCCNC(=O)c2ccccc2I)CC1 20726579 GYWMLAKEQDLXII-UHFFFAOYSA-N 387.265 1.659 0 50 GDAA O=C(c1nc2ncccn2n1)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 48356891 QMVAWMZYRQZNFP-AWEZNQCLSA-N 380.456 1.926 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2 67771835 DJRRCTNCGVKTGX-UHFFFAOYSA-N 381.392 1.812 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(C3(NC(=O)NC(C)(C)C)CCCCC3)nn2)CN1 67964955 WFIINVACJQKPET-KBPBESRZSA-N 391.520 1.184 0 50 GDAA O=C(CCn1cccn1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 91518802 ZOBRULQRXRACHY-HXUWFJFHSA-N 384.484 1.470 0 50 GDAA COc1ccc2c(C)c(C(=O)N3CCC4(CC3)NC(=O)C[C@@H]4C(=O)O)oc2c1 95352051 VRPWHZQRAPIFLH-CQSZACIVSA-N 386.404 1.945 0 50 GDAA O=C(CCCc1ccc(F)cc1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 95375149 SZXFGHUKSLAQBG-QZTJIDSGSA-N 378.488 1.672 0 50 GDAA CCNC(=O)Nc1ccc([C@@H](C(=O)O)N2CCN(c3cnccn3)CC2)cc1 95392791 MADZYONLOANJNZ-KRWDZBQOSA-N 384.440 1.566 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2 95518561 RWVRZMCIDOKPNL-XJKSGUPXSA-N 379.407 1.045 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)CN1C1CCOCC1 96139006 VQLHUSGFNFRLKY-RDJZCZTQSA-N 379.888 1.828 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)C[C@]2(C(=O)O)C1 96147907 ZMDHVPWIJKBJTE-BTDLBPIBSA-N 383.807 1.619 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2scnc2C)CN1Cc1cscn1 96164054 PUWQBCRNWPACON-AAEUAGOBSA-N 379.511 1.417 0 50 GDAA Cc1nc2[nH]cc(C(=O)N(C)CC3(N4CCCCC4)CCCCC3)c(=O)n2n1 102714711 QJWVUAJTGKILDZ-UHFFFAOYSA-N 386.500 1.987 0 50 GDAA O=C(NC[C@H]1CN2CCN1CC2)c1ccc(F)cc1I 178733719 KWWRDDWFNYCEHK-NSHDSACASA-N 389.212 1.160 0 50 GDAA COc1cccc2c1ccn2CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O 206415624 AHMRPXWGWQHCSQ-ZDUSSCGKSA-N 376.413 1.058 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)NCCc1noc([C@H]2CCCO2)n1 221170341 ZHGVMOCQAYWCJU-QGZVFWFLSA-N 382.420 1.903 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cc1OC 237201237 DTNXDHQHPAIZNS-KOLCDFICSA-N 393.303 1.872 0 50 GDAA CN(CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1)C1CCCC1 248055086 YCFDDDYUUYKIEO-PBHICJAKSA-N 376.526 1.967 0 50 GDAA CC1(C)[C@H](C(F)(F)F)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 252552600 UXVCLCWZMDVGQK-GFCCVEGCSA-N 379.404 1.935 0 50 GDAA Cc1nc(N2CCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)sc1C 253407923 OTDSWBJHRAZHLC-ZDUSSCGKSA-N 392.447 1.672 0 50 GDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530317 ALVUMSOFCVPNTF-XGEMFMMBSA-N 392.492 1.444 0 50 GDAA biogenic O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cnn([C@H]2CCOC2)c1 269696287 LDEYDJKERNLFIY-AWEZNQCLSA-N 377.422 1.684 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)Cc3noc4ccccc34)O2)n1 275379160 YNSGEHZDCMNTEG-ABAIWWIYSA-N 378.410 1.859 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2cnn3ccccc23)[C@@H]1c1cnn(C)c1C 275383311 YXVUKTFSPZCOOS-HRAATJIYSA-N 396.495 1.702 0 50 GDAA CS(=O)(=O)N1CCc2c(ncn(Cc3csc(C4CCCC4)n3)c2=O)C1 328602887 DALXYSILCDCETC-UHFFFAOYSA-N 394.522 1.723 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2sc(C)nc2C)[C@@H]1c1cnn(C)c1 328631087 QOJAQBDNVYKABC-KBXCAEBGSA-N 377.514 1.819 0 50 GDAA CC(=O)N1CC[C@](C)(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 363323868 FQAVIQAQPWHLQQ-FQEVSTJZSA-N 376.476 1.322 0 50 GDAA O=S1(=O)N=C(N2CCC(c3nc(-c4cnccn4)no3)CC2)c2ccccc21 363681639 CTPRCRXMFWMVQP-UHFFFAOYSA-N 396.432 1.855 0 50 GDAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)n1 372444179 CDZHMFKHBBDDHN-HUUCEWRRSA-N 386.387 2.351 0 50 GDAA CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CCN)C3)cc2)cc1 426471742 YHWBSCUOTCXFLY-FQEVSTJZSA-N 381.476 1.832 0 50 GDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)c(F)c2)CC1 888103644 RCFLCADVLGDSFX-OALUTQOASA-N 392.450 1.944 0 50 GDAA Cn1cc(-c2noc([C@@H]3CCc4nnn(C5CCCC5)c4C3)n2)c(O)nc1=O 952894267 MRZIAIBYTUYDNE-SNVBAGLBSA-N 383.412 1.515 0 50 GDAA COCCc1noc([C@H]2CCCN(C(=O)c3nnc(O)c4ccccc34)C2)n1 952973277 NIGJCLVFBKHFEI-LBPRGKRZSA-N 383.408 1.927 0 50 GDAA O=C1NCCC12CCN(c1nnc([C@@H]3CCCc4n[nH]cc43)n1CC1CC1)CC2 1263750364 XYMCXUZZGXVYGB-OAHLLOKOSA-N 395.511 1.986 0 50 GDAA CN(C)C(=O)CSc1nnc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)s1 1506397127 NOCBVZYIFKYOEG-SNVBAGLBSA-N 398.510 1.923 0 50 GDAA Cc1cccc2nc(C(=O)NC[C@@H]3CCCN(Cc4cc(O)nc(O)n4)C3)cn12 1506419932 MJXXORQVAWGAHY-AWEZNQCLSA-N 396.451 1.486 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1O 1529180602 LRPHINCSPLQMLQ-GOEBONIOSA-N 398.916 1.414 0 50 GDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CN2CCCCCC2)cc1 1565515533 KHQJIKRYMQTUFJ-ROUUACIJSA-N 375.469 1.314 0 50 GDAA COc1ccc(CC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)c(OC)c1 1772708093 DSFFKWQBUMRFNB-UHFFFAOYSA-N 390.480 1.734 0 50 GDAA COC(=O)c1ccc2c(c1)nc(N1CCC3(CC1)NCC(C)(C)CNC3=O)n2C 1772810789 LTTKHJRMILONKY-UHFFFAOYSA-N 399.495 1.445 0 50 GDAA COCC(=O)N1CCN(C(=O)C[C@H](C)n2cccn2)CCC12CCOCC2 1775962885 SGZRCJHNGBUPKS-INIZCTEOSA-N 378.473 1.091 0 50 GDAA CN1CC[C@H](NC(=O)c2[nH]nc3c(=O)n(C)cnc23)[C@H]1c1ccc(Cl)cc1 1857531309 GNSCHWQNRUVYPO-BLLLJJGKSA-N 386.843 1.485 0 50 GDAA COc1ccc(C)cc1C=Cc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1 1857533239 MSXIJTHNDMTPTN-OAHLLOKOSA-N 379.438 1.890 0 50 GDAA O=C(c1cnc(O)[nH]1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857667758 WEAZNFCSXKDQAQ-FQEVSTJZSA-N 392.419 1.793 0 50 GDAA Cc1cc2[nH]c(CN3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)cc(=O)n2n1 1857683537 IRZMENPRXSIKNC-NRFANRHFSA-N 393.447 1.580 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)cc1 1857719538 PDTRLXLPJIFFEU-UHFFFAOYSA-N 390.465 1.272 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)c2sc(N3CCOCC3)nc2C)CC[C@H]1O 1857736819 XYLOIFNCDIZHRY-KDOFPFPSSA-N 383.514 1.274 0 50 GDAA Cc1ncn(C)c1C(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3 1857737627 VWIOCHOMFHZUOM-ZOMKSWQUSA-N 386.418 1.890 0 50 GDAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@@H](CO)C[C@@H](CO)C1 1857737805 DJRVAYBOIUYARP-MJBXVCDLSA-N 389.477 1.099 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1cncnc1 1875313051 MGZCAMPMRXXBTQ-UHFFFAOYSA-N 385.829 1.203 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cccc(-n3cncn3)c2)ncn1 1875398431 PWOBTALNOYKXOZ-QZTJIDSGSA-N 394.483 1.171 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCCCc3cnn(C)c3)C2)c1C 1875400214 UIESUKWYNMEBPZ-QGZVFWFLSA-N 385.516 1.330 0 50 GDAA C[C@@](NC(=O)c1ccn2c1CCCC2)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 2325756335 GIYLWTMLSWCNCA-IBGZPJMESA-N 390.461 1.958 0 50 GDAA C[C@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@H](O)CN(C)Cc1coc(C2CC2)n1 2325795024 ZZLGKXZSJXCJDI-RVKKMQEKSA-N 378.517 1.676 0 50 GDAA CC1(C)[C@H](CNC(=O)c2cc(F)cc3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325875354 OMTRLZWXRYWRSX-NHYWBVRUSA-N 394.424 1.770 0 50 GDAA CN(C)C/C=C/C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 2325890794 LHEQGRFVEOSXLC-ONEGZZNKSA-N 380.286 1.851 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)Cc2ccc(OC)c(OC)c2)C1=O 2356152693 WLPDBPOJWROFCQ-OAQYLSRUSA-N 390.480 1.876 0 50 GDAA COCCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 2220219 IVPXKTFKBQQHGV-UHFFFAOYSA-N 387.461 1.834 0 50 GDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)CN1C(=O)c2ccccc2C1=O 6697990 TXHNHIQQUIBKJU-UHFFFAOYSA-N 376.372 1.991 0 50 GDAA Cc1c2cnn(CC(=O)N3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1F 6807960 MZHANRCZTWVLHB-UHFFFAOYSA-N 398.438 1.861 0 50 GDAA COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(N)=O 10315371 ABICHVDIENHKLP-UHFFFAOYSA-N 376.800 1.994 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1cccnc1 55074353 UWDJZVPAYJZOOT-MVHVFESUSA-N 378.476 1.644 0 50 GDAA Cn1cc(-c2ncc(C(=O)N[C@H]3CCN(C(=O)c4ccccn4)C3)s2)cn1 121138701 NRJVYTHLTCOIJG-ZDUSSCGKSA-N 382.449 1.583 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNC3CCOCC3)C2=O)c1OC 67920463 JFNFIMFJNGEOSL-FQEVSTJZSA-N 378.469 1.326 0 50 GDAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccc(NC(=O)C2CCC2)cc1 65381558 FVNBDAOPUFMYSV-UHFFFAOYSA-N 379.482 1.581 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)C[C@H](C)N3CCOCC3)CC2)OC1=O 77303904 UHYAOSSWIPLBCC-KRWDZBQOSA-N 381.517 1.957 0 50 GDAA CC(C)=CCN1CCN(C(=O)CCCc2cn[nH]c2)[C@H]2CS(=O)(=O)C[C@H]21 72470440 RCUCRQKMHLWQDM-SJORKVTESA-N 380.514 1.008 0 50 GDAA O=C1NCC2(CCN(Cc3cc4n(n3)CCCN(Cc3ccco3)C4)CC2)O1 72164576 DVUZECCORQXYDS-UHFFFAOYSA-N 385.468 1.956 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@H]3C1=O 77505022 FZOBZRRQDYOVTR-NTLWEQJWSA-N 386.496 1.895 0 50 GDAA CN1C(=O)[C@](CC(=O)N2CCNC(=O)CC2)(Cc2ccccc2)c2ccccc21 71416296 DRVXSKIVOXGSHR-QHCPKHFHSA-N 391.471 1.882 0 50 GDAA O=C(Cn1ccccc1=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72447227 POTFRBJPHFKEOB-PKOBYXMFSA-N 394.475 1.326 0 50 GDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(=O)c1ccccc1 229845227 HLPAFJDBUQIFPH-MIBLLKTRSA-N 385.416 1.631 0 50 GDAA COc1cccc([C@H]2C[C@@H](C(=O)Nc3cc(C)on3)N(C)S(=O)(=O)N2)c1 40474461 LGIISTRDXSQVTD-KGLIPLIRSA-N 380.426 1.210 0 50 GDAA Cn1c(Cn2cncn2)nnc1C1CCN(Cc2ccc3c(c2)OCO3)CC1 96137278 DYJPUEXBLUUVCQ-UHFFFAOYSA-N 381.440 1.563 0 50 GDAA C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1cccn1 91724942 VCOOGTGCRPWRMU-AWEZNQCLSA-N 382.468 1.480 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)c3cc(=O)c(OC)co3)C2)CCC1=O 91817841 OZSQWKXZUFMKGM-LJQANCHMSA-N 378.425 1.140 0 50 GDAA O=S(=O)(NC[C@@H]1CCCN(Cc2ncon2)C1)c1cccc2cccnc12 95509579 KXJGLTKWZUBSQY-AWEZNQCLSA-N 387.465 1.808 0 50 GDAA C[C@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)N1CCCC1=O 95526408 LPWWGOTVAMWBCF-CQSZACIVSA-N 399.495 1.033 0 50 GDAA O=C1NCCN2CCN(C(=O)Nc3cccc(OCc4ccccc4)c3)C[C@@H]12 95501114 JDVQHSHCZOFZKM-IBGZPJMESA-N 380.448 1.914 0 50 GDAA O=C(NCCc1nnc2n1CCCC2)[C@@H]1CCCN(C(=O)c2ccccc2)C1 182097043 ZGIBVOGDBQPQNH-QGZVFWFLSA-N 381.480 1.826 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244872895 WGMQGCDIBQZLFP-NZSAHSFTSA-N 375.494 1.730 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCC(=O)N2 253404757 HYJHPEWIQIKPDG-CQSZACIVSA-N 380.360 1.097 0 50 GDAA biogenic C[C@H](O)[C@@H]1CN=C(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)N1 1875315105 ITIMYFBRPVTGHK-GLQYFDAESA-N 384.402 1.495 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC([C@H](O)C(=O)O)CC3)C2)cc1 1875307218 KXSJTJUGXUQVGM-MSOLQXFVSA-N 388.464 1.531 0 50 GDAA O=C1C[C@@H](C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1 952991811 VZVQOORZIVHPBE-SNVBAGLBSA-N 390.793 1.929 0 50 GDAA N[C@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)[C@H]1CCCO1 888093079 KLHLYMTYVKKTJN-CTNGQTDRSA-N 395.507 1.849 0 50 GDAA CCn1cc(S(=O)(=O)N2C[C@H](c3ccc(OC)cc3)[C@@H](N(C)C)C2)cn1 1565528246 MILJXDKMBBCSLB-MSOLQXFVSA-N 378.498 1.630 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)n(C)c1 170086687 SFMDVDZYIFRMPZ-HZMBPMFUSA-N 397.419 1.147 0 50 GDAA CCn1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2OCCOC)cn1 764695670 KSNOHUJMPDRNLC-UHFFFAOYSA-N 387.845 1.700 0 50 GDAA CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)CC2)cc1 794719243 NPSOGUOGWIALOE-MRXNPFEDSA-N 382.482 1.631 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCCc2nccc(-c3ccccc3)n2)C1 1506407040 ICRUAQSXWGEKDY-MRXNPFEDSA-N 390.509 1.879 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCN1CCCCCC1=O 1506416546 KCESENMQBUUQRN-HNNXBMFYSA-N 396.513 1.591 0 50 GDAA NC(=O)COc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc1Cl 1616127459 TWVIJNRQHFAXBL-RDJZCZTQSA-N 375.856 1.635 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CN(CCOc3ccc(F)cc3)C[C@@]2(CO)C1 1772708112 BITVUHWDIAISAH-YWZLYKJASA-N 386.427 1.061 0 50 GDAA CCCCN(C)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCOC)C1=O 11814702 XULBPVXPZXHMLW-NRFANRHFSA-N 390.480 1.987 0 50 GDAA O=C1CCCN1C[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCC2)C1 12227084 ZZDSNWGHFRXORZ-AWEZNQCLSA-N 385.472 1.842 0 50 GDAA COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)cc(-n3cnnn3)c2)cc1 12451419 JZZOQCNFIWIMQG-UHFFFAOYSA-N 378.436 1.726 0 50 GDAA CN1CCNC(=O)[C@H]1CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 14966105 DTQLLJCKRAJSPZ-MRXNPFEDSA-N 399.413 1.896 0 50 GDAA Cc1nn(C)c2c1[C@@H](NS(=O)(=O)c1ccc3c(c1)oc(=O)n3C)CCC2 1857675158 MKOVOOSUOUERMY-LBPRGKRZSA-N 376.438 1.529 0 50 GDAA CC(C)CCN1C[C@@H]2[C@H](CNS(=O)(=O)c3cnn(C)c3)[C@H]3CC[C@]2(C1)O3 1875244053 KJMHISJHTYGSRG-BSDSXHPESA-N 382.530 1.224 0 50 GDAA O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@H](O)COC1CCOCC1 127308345 SRKJXMUNBIGJJD-HNNXBMFYSA-N 388.399 1.278 0 50 GDAA COc1cc(F)ccc1N1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 151779970 YHLBYZCMIFPHDM-UHFFFAOYSA-N 384.411 1.977 0 50 GDAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100480375 GLMLDIUCUGHHKN-YHUYYLMFSA-N 391.537 1.847 0 50 GDAA O=C(NCc1cc(-c2ccccc2)no1)c1cnc(N2CCCNCC2)cn1 2325777613 OUQUUPGRGLCNDJ-UHFFFAOYSA-N 378.436 1.861 0 50 GDAA CCOC(=O)c1cc(C(=O)N2CC[C@@H](Cc3cn(-c4ccncc4)nn3)C2)on1 2325826222 UQZWFWIUMVHOKZ-ZDUSSCGKSA-N 396.407 1.532 0 50 GDAA O=C(NCCc1ccc2ncccc2c1)C(=O)N1CC[C@H](Nc2ncccn2)C1 2325860296 BMQHTXFHBJJXOI-KRWDZBQOSA-N 390.447 1.397 0 50 GDAA COC(=O)c1coc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356148079 GNJCITMWYXDSJA-AVYPCKFXSA-N 391.468 1.722 0 50 GDAA COc1nc2c(cc1CN1CCC(CN(C)C)(OC)CC1)C(=O)N(C(C)C)C2 2356167270 WAIQCEFMXCSBLU-UHFFFAOYSA-N 390.528 1.997 0 50 GDAA Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 10682270 ZYUQJBUCFZFKOL-UHFFFAOYSA-N 377.404 1.534 0 50 GDAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 55107908 GWRKVBWERJQIIE-FQEVSTJZSA-N 389.496 1.840 0 50 GDAA Nc1ccnc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)c1 67790410 TWGVSFSNFWZHAN-UHFFFAOYSA-N 378.436 1.633 0 50 GDAA CN1CCC(N2C(=O)N[C@](Cc3ccc(F)cc3)(C3CCNCC3)C2=O)CC1 67542009 CIBWJKJYIGHMJT-OAQYLSRUSA-N 388.487 1.753 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCSCC1 11874725 SOXFGKXKSQLOBR-MRXNPFEDSA-N 377.510 1.351 0 50 GDAA CC[C@@H](O)C(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 67692456 FZKRKUIZAPJGQZ-GOSISDBHSA-N 384.480 1.804 0 50 GDAA CN(C)CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 172202285 SPBNYOAOPQGWJW-HXUWFJFHSA-N 386.540 1.681 0 50 GDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 328608849 BLNWXWRCGBGPCC-DZGCQCFKSA-N 381.475 1.916 0 50 GDAA CCOc1cccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77287785 RIHCXDFCPFIXPY-DLBZAZTESA-N 381.498 1.050 0 50 GDAA CCOc1ccc([C@H]2CCCN2C(=O)Cn2nnc3c(cnn3C)c2=O)cc1 154379834 BXJDRYOUZKLHSC-MRXNPFEDSA-N 382.424 1.287 0 50 GDAA CCn1nc2c(cc1=O)CN(C(=O)c1ccc(CN3CCN(C)CC3)cc1)CC2 369813818 KNNWHWPHIDZPLQ-UHFFFAOYSA-N 395.507 1.209 0 50 GDAA CN(C)C(=O)COc1ccccc1CN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 378382577 ZJBZLCMJWDGBAW-MOPGFXCFSA-N 386.496 1.975 0 50 GDAA CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)CC1 72158838 WNENAPYBTDXMCT-MRXNPFEDSA-N 398.429 1.170 0 50 GDAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 131912026 QOVUWDIRKASZDR-CQSZACIVSA-N 399.499 1.105 0 50 GDAA CN(Cc1ccncn1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71751805 QDNMCEWLFAOZSB-QGZVFWFLSA-N 385.512 1.548 0 50 GDAA O=C(c1cc[nH]n1)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77427422 YCABRKDDLZFAIQ-HNNXBMFYSA-N 390.465 1.066 0 50 GDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 72115743 XIJMCFMMOIWUNK-UHFFFAOYSA-N 380.496 1.499 0 50 GDAA Nc1nnc(SCC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)s1 82120125 IGKSSQAAVAKTOE-UHFFFAOYSA-N 390.494 1.638 0 50 GDAA CCN1CCN(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 220583113 URDWNURONHOVCW-FQVRHNBASA-N 382.508 1.801 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)c(=O)[nH]1 96162229 LNHSGNNWXAHGSR-UHFFFAOYSA-N 377.448 1.759 0 50 GDAA CN(C)C(=O)CSc1nc(N)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 230082585 QOCHWCRZOFPEPV-HNNXBMFYSA-N 386.525 1.732 0 50 GDAA CC[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1cccn1 95498656 WAFPPARSKJQMID-KRWDZBQOSA-N 396.495 1.870 0 50 GDAA O=C1CCC2(CCN(C(=O)N3CCOCC3)CC2)CN1CCc1c[nH]cn1 91594249 VUYSHXPBPNEPKE-UHFFFAOYSA-N 375.473 1.109 0 50 GDAA COc1ccc(NC(=O)NCc2nc(C3CC3)no2)cc1NS(C)(=O)=O 96150502 NYUPIDORQRBWJY-UHFFFAOYSA-N 381.414 1.649 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)NCCc1nc(-c2ccccn2)no1 91547232 KNODBVUANYQKMB-UHFFFAOYSA-N 390.403 1.660 0 50 GDAA COC(=O)c1cc(NC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)ccc1Cl 95503531 PLTPLSYETNBHSG-GJZGRUSLSA-N 383.832 1.348 0 50 GDAA COc1ccc(CN2CCc3nc(C(N)=O)cn3CC2)cc1Cn1cccn1 1940194725 JTNITZQNPGMHFS-UHFFFAOYSA-N 380.452 1.294 0 50 GDAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1F 299763465 NMRVTHUKCBWGCJ-QZTJIDSGSA-N 377.437 1.613 0 50 GDAA COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1Cl 1875399238 SIIOPYTWLYVARK-NWANDNLSSA-N 399.900 1.972 0 50 GDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@H]2C[C@@H](O)[C@@H](O)C[C@H]2C1 1875318622 JJGFOEUKMBSXJT-WVKUQDAKSA-N 388.390 1.918 0 50 GDAA CC[C@@H](C(=O)N[C@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1)N1CCCC1=O 888100854 CSQSHKLXKRAUMU-QFBILLFUSA-N 394.493 1.223 0 50 GDAA COC(=O)CCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 170594010 KLNOHTZLJPQTGU-FQEVSTJZSA-N 386.404 1.624 0 50 GDAA C[C@@H]1CN(CCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 191429280 FLAFEGSNTIHWQT-CYBMUJFWSA-N 393.962 1.429 0 50 GDAA Cc1ncnc(N2CCN(C(=O)CCC(=O)Nc3cccc(O)c3)CC2)c1C 1506421618 KHCYOIFGKAZSSI-UHFFFAOYSA-N 383.452 1.867 0 50 GDAA O=C1CO[C@H](C(=O)NCCN2CCCCCC2)[C@@H](c2ccccc2Cl)N1 1529093856 AMRKCGQGNYEWKU-MSOLQXFVSA-N 379.888 1.888 0 50 GDAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 1704344172 PTRGCJCDAQKAFU-ZDUSSCGKSA-N 392.452 1.839 0 50 GDAA CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1O 19595440 PCKYTSRZNGBQCN-UXHICEINSA-N 381.476 1.916 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857666597 GUTVGWSJFFOKLW-SFHVURJKSA-N 390.465 1.167 0 50 GDAA Cc1nsnc1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2C(=O)NCCn1cnc(C)c1C 1857713027 AAFCJAFJJMIPOS-SOUVJXGZSA-N 388.497 1.327 0 50 GDAA CCOc1cccc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857721297 IUIXFZGQVJOANW-GPQLQYNLSA-N 387.524 1.743 0 50 GDAA Cc1nc(C)n([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 12420517 HUMBREJNNVDYOP-AWEZNQCLSA-N 391.497 1.379 0 50 GDAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC3(CCOCC3)C2)C1=O 266240821 SXDCJTDKNAKBBO-FQEVSTJZSA-N 385.464 1.873 0 50 GDAA O=C(NS(=O)(=O)Cc1ccccn1)C1CCN(c2ccc(Cl)cn2)CC1 2325710611 GKBCZBPEWZSXKI-UHFFFAOYSA-N 394.884 1.993 0 50 GDAA O=C(O)c1cn([C@@H]2CCCC[C@@H]2NS(=O)(=O)Cc2ccccc2F)nn1 2325875365 OUEOCPDSZUDPOG-DZGCQCFKSA-N 382.417 1.719 0 50 GDAA COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4O)CC3)C2=O)cc1 1108777 ABQUEDBLFYSZHE-SFHVURJKSA-N 381.432 1.855 0 50 GDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)cc21 2356155611 KAWIYUINDXYCMO-NVXWUHKLSA-N 388.445 1.671 0 50 GDAA COc1cc(OC)c(C(=O)N2CCCn3nc(C(=O)O)cc3C2)cc1OC 65509090 MFWVVEXZOXMAJU-UHFFFAOYSA-N 375.381 1.653 0 50 GDAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(c2cc(N)ncn2)C3)nn1 67688444 PKYXZKOQSHGZAG-UHFFFAOYSA-N 380.408 1.932 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1Cl 20046381 ZCJRZOHSJYADRN-UHFFFAOYSA-N 389.905 1.133 0 50 GDAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)CC[C@@H]1NC(=O)NC1=O 65375896 GYAXXVLOYZIMES-ZDUSSCGKSA-N 375.816 1.820 0 50 GDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1C 65363928 MJHCAFBBJBGEQU-UHFFFAOYSA-N 388.453 1.370 0 50 GDAA O=S1(=O)CC[C@H](N(Cc2ccco2)C[C@@H](O)COc2ccccc2F)C1 229737630 YSXZPTGJSDFNOP-LSDHHAIUSA-N 383.441 1.848 0 50 GDAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 328610563 ILZHEGCJNCUBFX-MRXNPFEDSA-N 381.502 1.652 0 50 GDAA Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCNC4)nc23)cn1 60328033 GMIZZEXBPRLVIV-VIFPVBQESA-N 376.262 1.942 0 50 GDAA in-vitro CC(C)N1CCC(N2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2CCO)CC1 72408774 AROFUNHIEQUBTF-QGZVFWFLSA-N 389.544 1.280 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3[nH]cnc3C)C2)cc1 11936303 DKXJAKZGEWUJGS-OAHLLOKOSA-N 378.498 1.917 0 50 GDAA O=S(=O)(NC1CCC(N2CCCS2(=O)=O)CC1)c1cncc(Cl)c1 360777846 QDTFXTPRMSBBDM-UHFFFAOYSA-N 393.918 1.360 0 50 GDAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 261774307 RULXTTIPFVLHCF-OAHLLOKOSA-N 383.452 1.463 0 50 GDAA CN1CCN([C@H]2COC[C@@H]2NC(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72425042 IXFYZSUEYMQKBA-OALUTQOASA-N 375.513 1.135 0 50 GDAA CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 378321018 WERQZRVYWJEXPV-DOTOQJQBSA-N 379.505 1.931 0 50 GDAA Cc1csc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@H]24)O3)n1 77385426 DBOWRZREJOUVEZ-WGDDSDEBSA-N 375.494 1.990 0 50 GDAA O=C(CN1C(=O)CNC1=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 77436517 YGMYBZZAVASCJK-UHFFFAOYSA-N 385.342 1.627 0 50 GDAA CS(=O)(=O)CC1(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 175502475 CTVQTSQJSFHKPE-UHFFFAOYSA-N 389.481 1.295 0 50 GDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)[nH]n1 176455928 OHRDKWLJPFZOPI-CYBMUJFWSA-N 388.516 1.592 0 50 GDAA Cn1c(CNc2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)nc2ccccc21 426574723 LNPYIHPXODCYGH-CYBMUJFWSA-N 380.452 1.660 0 50 GDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1)c(=O)n2C 20408248 DNOASMMIVUZCDG-UHFFFAOYSA-N 396.403 1.137 0 50 GDAA C[C@@]12CC[C@@]3(C)OC[C@](COC(=O)NS(=O)(=O)c4ccccc4)(CO1)N23 239284848 CEGWASGGHHMSPN-BJWYYQGGSA-N 382.438 1.429 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3cc(OC)ccc3[nH]2)C[C@@H]1CO 91895946 MKTHFLWHZAAMHC-HZPDHXFCSA-N 375.469 1.435 0 50 GDAA NCCc1nnc(SCC[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1F 426697260 CFNMIDACGGPQKO-GFCCVEGCSA-N 384.502 1.825 0 50 GDAA Cc1ocnc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 95506516 MIJCFMMPQFAVNQ-ZDUSSCGKSA-N 381.396 1.450 0 50 GDAA CN1CCN(c2cccc(NC(=O)N3CCN(c4ncccn4)CC3)c2)C1=O 95530698 BCOVQAAOSBNIHL-UHFFFAOYSA-N 381.440 1.703 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc4nccnc4c3)cc2C1 91997213 KLCZLOGCTPEHJW-UHFFFAOYSA-N 379.424 1.254 0 50 GDAA CS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)CC1 96164284 DKULAVIFHWLUPU-UHFFFAOYSA-N 388.493 1.976 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91325305 DKAYAVYGJBWZSQ-DLBZAZTESA-N 388.445 1.583 0 50 GDAA Cc1nnnn1CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95361282 RPMYAMDQSDXEQM-DFQSSKMNSA-N 384.459 1.600 0 50 GDAA COCC(=O)Nc1cc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)ccc1OC 253414804 YRCJJEHAPPANEF-UHFFFAOYSA-N 386.364 1.046 0 50 GDAA O=C(C[C@H]1CCOc2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1 183556202 RIBGETIXQOVQIU-MRXNPFEDSA-N 392.521 1.664 0 50 GDAA COc1ccc(CNC(=O)c2cc(N3CCNC3=O)ccc2F)cc1C(=O)O 299748145 GFQFPPCTUJPNLU-UHFFFAOYSA-N 387.367 1.992 0 50 GDAA CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 263619183 XIZMJVCNJONJFR-GOSISDBHSA-N 398.463 1.761 0 50 GDAA COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 263586840 YNDOJEZBYFUHLS-SFHVURJKSA-N 397.431 1.965 0 50 GDAA biogenic Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cc1OCCCN 299802075 RNNLNGNWFMUGGJ-UHFFFAOYSA-N 375.469 1.186 0 50 GDAA NS(=O)(=O)c1ccc(CCNC(=O)C2(N3CCCC3)CCCCC2)cc1 827661350 SNMJRVCTJRUQEX-UHFFFAOYSA-N 379.526 1.791 0 50 GDAA O=C(NC[C@H]1CC[C@H](CO)CC1)N1CCN(Cc2ccccc2CO)CC1 584895340 KMSXCHBYIOLDCY-IYARVYRRSA-N 375.513 1.805 0 50 GDAA Cc1c[nH]c(CN2CCOC3(CCN(C[C@@H]4CCOC4)CC3)C2)c(C)c1=O 825243050 YANRQPZPNYIJQU-SFHVURJKSA-N 375.513 1.695 0 50 GDAA Cc1nnnn1[C@@H](C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 825297056 ODHSWRVLGBSTHO-MRXNPFEDSA-N 375.396 1.067 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)N(C)Cc2noc(CC(C)C)n2)on1 584888935 KIXIVENZVRUXLV-HIFRSBDPSA-N 377.445 1.964 0 50 GDAA C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cncc(N3CCCC3)n2)C1)n1cccn1 1875310297 LXSKTPVHNVYCAA-HZPDHXFCSA-N 397.483 1.255 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cc(C4CC4)n[nH]3)C2)c1C 1875398044 YRFRVZXSBFFSPZ-OAHLLOKOSA-N 383.500 1.764 0 50 GDAA COC[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2coc3ccccc23)CCCCO1 1875345147 TWPFOZDYMIIAGY-VBKZILBWSA-N 390.436 1.225 0 50 GDAA Cc1ccc2c(c1)nc(CNc1cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn1)n2C 1875398247 IRGUMCLDXXCMDI-HZPDHXFCSA-N 395.511 1.785 0 50 GDAA Cc1n[nH]c(C)c1[C@@H]1CCCN1c1ncnc2c1ncn2C1CC(CO)(CO)C1 1875269323 WQIHQTADTWAFSK-HNNXBMFYSA-N 397.483 1.814 0 50 GDAA C[C@H](NC(=O)CNC(=O)CN(C)C[C@@H](O)c1cccnc1)c1ccc(F)cc1 1875292080 VZKHYJNXHHHENP-KBXCAEBGSA-N 388.443 1.180 0 50 GDAA Cn1cnc(C(=O)N2CC[C@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)n1 952892630 FNLYIMUEULKGCC-HNNXBMFYSA-N 393.329 1.606 0 50 GDAA Cn1cnnc1SCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565525536 YXDFIGSYXSNHCI-ZBFHGGJFSA-N 385.493 1.670 0 50 GDAA Cn1c(O)ncc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1=O 277863857 BYRFGFVBPPNXSS-SFHVURJKSA-N 378.429 1.102 0 50 GDAA Cn1ccn2ncc(C(=O)NC[C@@H]3CCCN(c4ncccc4C(=O)O)C3)c12 1506426852 JQDIKEQQIPZNPK-ZDUSSCGKSA-N 382.424 1.412 0 50 GDAA CNC(=O)[C@@H]1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)C1 1704310009 WCRVHOVTVBYJFM-GFCCVEGCSA-N 390.415 1.763 0 50 GDAA Cc1cccc(OCC(=O)N2CCCN(Cc3c[nH]nc3C(=O)O)CC2)c1C 1775978946 WHQHMOSNIYVYFD-UHFFFAOYSA-N 386.452 1.838 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)c(OC)cc1Cl 1772708390 HRQPLKWLHXYQDG-QWRGUYRKSA-N 388.873 1.741 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(-n2cccn2)cc1 12023326 TUGDBISYMDKNSJ-GOSISDBHSA-N 383.496 1.725 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccnc2)c(F)c1 12075072 LQIAYPXVSQGJEA-SFHVURJKSA-N 386.427 1.236 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N(CCO)Cc1ccccc1 12711715 XCKVGAIWEGKSEU-FQEVSTJZSA-N 381.476 1.398 0 50 GDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 13580804 ISCZFPZSTMMCOT-CYBMUJFWSA-N 386.445 1.094 0 50 GDAA Cc1nnsc1C(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 14948973 QXMBPDLYGDIJAS-OAHLLOKOSA-N 394.522 1.818 0 50 GDAA O=C(/C=C/c1ccccc1)N[C@H]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 1857672792 HGYHWSAXOPNYRY-ZUQFGZKASA-N 398.463 1.043 0 50 GDAA O=C(NCc1ccc2c(c1)CCO2)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857692872 YGRFPEZSCPJMCE-TXTKFYIRSA-N 399.535 1.718 0 50 GDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCC2(CC1)CNCCO2 1857718817 UOHLPTOFVOXUNY-INIZCTEOSA-N 399.495 1.810 0 50 GDAA COC(=O)c1cccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1 1857722607 JMYCPQWFVINPOI-ROUUACIJSA-N 386.452 1.351 0 50 GDAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1Cl 1857735516 DQNQWBHKGXBWME-KKUMJFAQSA-N 395.887 1.398 0 50 GDAA C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)NCCN1CCOCC1 225857519 MKSVNHLSXPPELO-GFCCVEGCSA-N 385.258 1.443 0 50 GDAA CC(C)(C)c1ccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)cc1 248202262 WWQKRSRSDRSDJH-LPHOPBHVSA-N 380.510 1.762 0 50 GDAA Cc1c(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)[nH]c2ccccc12 253591062 NSXPQBBSHJTQAK-UGSOOPFHSA-N 377.466 1.254 0 50 GDAA CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3c[nH]nc3C)CC2)cc1 375914822 UMHIRTJDKPBUKQ-UHFFFAOYSA-N 390.509 1.965 0 50 GDAA Cc1nc(C(=O)N2CCO[C@H](C(=O)O)C2)nn1-c1c(Cl)cccc1Cl 262999787 PORPHAVDZVLEOF-NSHDSACASA-N 385.207 1.808 0 50 GDAA C[C@H]1CN2C(=O)[C@H](Cc3c[nH]c4ccc(Br)cc34)NC(=O)[C@@H]2CO1 2325801684 SBPRJARQSGEDJE-LNHVQRHZSA-N 392.253 1.587 0 50 GDAA CC[C@@](C)(O)C(=O)N[C@H]1CN(C(=O)c2sc([C@@H](C)OC)nc2C)C[C@H]1C 2325827826 RBULPMUMBKGLEE-LHAXHYPGSA-N 383.514 1.897 0 50 GDAA COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1C 225829723 SNTPEWGBBWYWLN-CYBMUJFWSA-N 390.465 1.722 0 50 GDAA Cc1ccnc(NCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)c1 55393687 FBBFWPPNONMMGG-GOSISDBHSA-N 381.480 1.309 0 50 GDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 106683046 LBUHRDZJGXEAHL-WDSOQIARSA-N 391.537 1.682 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 55345580 LVQGQJVVUSXNBR-UHFFFAOYSA-N 392.456 1.234 0 50 GDAA CCn1c(-c2ccccc2)nn(CC(=O)N2CCCn3nc(C)cc3C2)c1=O 77341255 UHWZQKMSZZMNKN-UHFFFAOYSA-N 380.452 1.669 0 50 GDAA C[C@H](NS(=O)(=O)CC1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 173095705 VCKLXGCLPCOWSD-HNNXBMFYSA-N 399.532 1.985 0 50 GDAA CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1nc3ccccc3[nH]1)CC2 172675750 DTIWXSXELAPUDK-UHFFFAOYSA-N 384.461 1.993 0 50 GDAA CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 72120899 KRKGUQLHOOGLAT-LJQANCHMSA-N 396.509 1.868 0 50 GDAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)NCc2ccccc2)n1 72171631 YQIMHTVURQAFTA-OAHLLOKOSA-N 380.470 1.820 0 50 GDAA O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1cc2c(nc1O)CCCCC2 333332888 YZJFIOFBAIWYOP-CYBMUJFWSA-N 390.465 1.865 0 50 GDAA O=C(c1ccoc1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71416372 FDQABVAMQPYLOQ-MRXNPFEDSA-N 375.469 1.455 0 50 GDAA CN1CCN(S(=O)(=O)c2cccc3c2OCC3)C[C@@H]1c1nc(C2CC2)no1 333764965 DHCZFLLAUXQTHS-CQSZACIVSA-N 390.465 1.559 0 50 GDAA CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 72437491 BJJKWQIWGLXSPD-OAHLLOKOSA-N 387.933 1.560 0 50 GDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccccc2F)[C@H](CCO)C1 43083385 BUUUTKPBPCAOKX-QGZVFWFLSA-N 390.459 1.794 0 50 GDAA Cc1nccn1CCCN(C)CC(=O)NCc1ccccc1CN1CCCC1=O 130878288 QQUFXAAYLPXSNH-UHFFFAOYSA-N 397.523 1.952 0 50 GDAA Cc1cc(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1S(C)(=O)=O 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O=C1NCCN(C(=O)c2ccc3c(c2)ncn3CCO)[C@@H]1c1cccc(F)c1 97217616 VTPXCGZHXSYRQE-GOSISDBHSA-N 382.395 1.481 0 50 GDAA COCCn1nnnc1[C@@H]1CN(c2ncnc3sc(C)c(C)c23)CCO1 95358909 RCOVEGQUCAZKTL-LBPRGKRZSA-N 375.458 1.519 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)nc1)CC2 95529383 BIPLJUXWMJYDSZ-UHFFFAOYSA-N 383.452 1.276 0 50 GDAA CCc1nnc(CN(CC)C(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)o1 96148458 GYYXLVBKGFACQP-UHFFFAOYSA-N 388.428 1.885 0 50 GDAA Cn1nc2c(cc1=O)CN(Cc1nnc(C(=O)Nc3ccccc3)s1)CC2 182521583 AKCQXYXGFLOKQO-UHFFFAOYSA-N 382.449 1.442 0 50 GDAA Cc1cc(C)n2c(CN[C@H](Cc3ccccc3)C(=O)N3CCOCC3)cnc2n1 185154461 SFTJNCBWYNFMGO-HXUWFJFHSA-N 393.491 1.906 0 50 GDAA O=C1OCC2(CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)O1 828322811 AZJHKEHHZRURBN-ZDUSSCGKSA-N 377.372 1.642 0 50 GDAA CC[C@H](Cn1ccnc1)NS(=O)(=O)c1cc(-n2cccn2)ccc1OC 670468423 IPNSOZMELIFPTJ-CQSZACIVSA-N 375.454 1.835 0 50 GDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)COC(F)F)C2 1875395603 GNUNNIZZLSKKJX-CYBMUJFWSA-N 381.427 1.174 0 50 GDAA CCn1cc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c(C)n1 1875397939 URMHLDCEHXPRKS-QGZVFWFLSA-N 385.516 1.689 0 50 GDAA Cc1ncnc(C)c1C(=O)NCC1=CCN(C(=O)c2ccc3cccnn23)CC1 1875350406 LNINJMVNSIIXAL-UHFFFAOYSA-N 390.447 1.943 0 50 GDAA NC(=O)c1n[nH]c(=NC/C=C/CNC(=O)CCc2ccc(Cl)s2)s1 1875327034 WHIUMTUIMWSDGL-OWOJBTEDSA-N 385.902 1.491 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccn3ncnc3c2)N1Cc1ccccc1 1875396738 TWHHCNZHWYMDSC-IERDGZPVSA-N 395.463 1.111 0 50 GDAA COC(=O)c1nccc(N2CC[C@H](NC(=O)c3ccn(C4CCCC4)n3)C2)n1 1875312229 JBBLZYQXRXGDHO-ZDUSSCGKSA-N 384.440 1.584 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1ccn(Cc2ccccc2)n1 1875312440 CIZUMHHSDPNWFM-UHFFFAOYSA-N 386.433 1.844 0 50 GDAA CN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)c2cnc3cccnn23)CC1 1875327289 TZSKQHXONDHDRN-BZUAXINKSA-N 384.484 1.228 0 50 GDAA CCOc1ccccc1NC(=O)CN1C=C(C(=O)OC)C(C)=NS1(=O)=O 169771855 YLCSTCRTHUWMQR-UHFFFAOYSA-N 381.410 1.102 0 50 GDAA O=C1C[C@H](C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C2(CCCC2)O1 952979501 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Cc1cc(C[C@@H]2CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C[C@@H]2O)on1 1704347636 GHUFSETWCDMZBY-KDOFPFPSSA-N 382.420 1.063 0 50 GDAA Cc1noc(C)c1CN1C[C@@H]2CN(C3CSCCSC3)C[C@]2(CO)C1 1772711574 ZZLRBNCYWZZQHN-QAPCUYQASA-N 383.583 1.866 0 50 GDAA O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 983012 AGCMJMZTSFCMFX-NSHDSACASA-N 377.260 1.023 0 50 GDAA COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(C)C 1452374 RVKMEPAQKUXOLT-INIZCTEOSA-N 382.482 1.789 0 50 GDAA CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@H]2N1S(=O)(=O)CCc1ccc(Cl)cc1 1857530568 BGILELHDKMWYGN-OAGGEKHMSA-N 386.901 1.532 0 50 GDAA O=C(CCc1cccnc1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1nnc2ccccn12 1857681981 FEDFHDPAWDZEIZ-IRXDYDNUSA-N 390.447 1.459 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cccn(C)c3=O)CC(=O)N2[C@H]1c1ccccc1 1857716185 AMIKULJCBZAOOP-BJLQDIEVSA-N 395.459 1.332 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCS(C)(=O)=O)CC1 1857717501 WDMGKHZQNRJMKN-UHFFFAOYSA-N 395.525 1.721 0 50 GDAA Nc1ncnc2c1nc(S(=O)(=O)O)n2CCOc1cccc2ccccc12 2856728 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1.746 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCn2cc(C)nn2)C[C@H]1NC1CCSCC1 2356139729 JBGJJCQJEFQNEN-USXIJHARSA-N 381.546 1.372 0 50 GDAA Cc1ncn(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)c1C 2356156908 WHFFXMPXELPQLQ-NRJQMVOHSA-N 393.491 1.948 0 50 GDAA CC(C)COc1ccccc1CN(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 55211530 VVJMNZUIVNJIMF-KRWDZBQOSA-N 382.526 1.799 0 50 GDAA CCc1n[nH]c(SCC(=O)N2CCN(Cc3ccc(C)c(C)c3)C(=O)C2)n1 55414324 JUKDBTXLSPKEMO-UHFFFAOYSA-N 387.509 1.947 0 50 GDAA Cn1cc(C(=O)NCC2CCN(C(=O)c3ccnn3CC(F)F)CC2)cn1 469204866 GQBUSFKNIHMYIB-UHFFFAOYSA-N 380.399 1.164 0 50 GDAA Cn1ncc(N2CC[C@@H](CNCc3c[nH]nc3-c3ccc(F)cc3)C2)cc1=O 67965076 WAICAOBQSDWOCH-AWEZNQCLSA-N 382.443 1.926 0 50 GDAA COc1cc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)nnn4C)C2)cc(OC)c1 150764371 VUGHVCCCNKXMTM-MRXNPFEDSA-N 395.463 1.990 0 50 GDAA O=C(NCc1nc(C2CC2)no1)c1cccc(S(=O)(=O)NC2CCC2)c1 215212193 WKTYKIVFXOXKHW-UHFFFAOYSA-N 376.438 1.708 0 50 GDAA Cc1nc(NCCNC(=O)c2ccc3c(c2)OCO3)cc(N2CCOCC2)n1 36708064 UMJXMLHOJBERMQ-UHFFFAOYSA-N 385.424 1.192 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cncn4C)C3)ccc2O1 328615981 BGIRHNDXSJYSBX-RVZJWNSFSA-N 377.466 1.942 0 50 GDAA CN1CCCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71749770 BERLCMOZZYIYQV-OAQYLSRUSA-N 399.583 1.922 0 50 GDAA O=C([C@@H]1CCCNC1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262180410 GMRNTQKFTJOORI-GFCCVEGCSA-N 395.510 1.246 0 50 GDAA Cc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)c2c(=O)[nH]n(C)c2n1 128520485 DYXJUBXZSZRVJS-UHFFFAOYSA-N 395.341 1.793 0 50 GDAA COc1cccc(CN2CC3(CCN(C(=O)Cn4cccn4)CC3)CC2=O)c1 77354265 QSFOWERSSHVVTR-UHFFFAOYSA-N 382.464 1.933 0 50 GDAA C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1Cc2ccccc2C1=O 225412481 BHBXEWHNNPPDPK-UXLLHSPISA-N 377.444 1.839 0 50 GDAA biogenic Cn1cc(N2CC[C@@H](NC(=O)N3Cc4ccccc4OC(C)(C)C3)C2=O)cn1 290959867 HOWRVBVCIZMZPG-MRXNPFEDSA-N 383.452 1.908 0 50 GDAA C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)N3CCCC3)cc2C1 82156873 VRXRMTAPJYMQSS-MRXNPFEDSA-N 387.528 1.701 0 50 GDAA Cn1ncc(Cl)c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223544438 HOIOQIKPWIRBCI-ZIAGYGMSSA-N 379.800 1.738 0 50 GDAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](F)C[C@H]1CNS(C)(=O)=O 82121965 OVUWZCXTPXXPCL-KBPBESRZSA-N 381.429 1.752 0 50 GDAA O=C(N[C@@H]1CCNC1=O)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1 95510456 QJWVULGCGVPLMK-HXUWFJFHSA-N 394.475 1.743 0 50 GDAA Cc1cc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)c(=O)n(C)c1C 426494492 PEBMLGKZSPEBFR-UHFFFAOYSA-N 382.376 1.711 0 50 GDAA CCn1c(C)nnc1SCCNC(=O)c1ccc(C)c(N2CCNC2=O)c1 91435187 CHQMBONERDZECT-UHFFFAOYSA-N 388.497 1.967 0 50 GDAA CN1CCN(C[C@@H](O)COc2ccc(CN3CCOC(C)(C)C3)cc2)CC1 95519276 ODLGVNPNSNTLHB-LJQANCHMSA-N 377.529 1.285 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(c2cc(C)nc(N)n2)CC3)cn1 91645460 CBIWLTBGCNKANJ-UHFFFAOYSA-N 381.484 1.875 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1cc(Cl)ccc1O 244874266 WXSKEMVFEFRKNE-CZUORRHYSA-N 375.812 1.446 0 50 GDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C(=O)O 254385718 RRTPKTHDIVIAMI-VVGUORSOSA-N 382.453 1.385 0 50 GDAA COC(=O)c1cn(CCNC(=O)c2cc3ccccc3n2C)cc2c(=O)[nH]nc1-2 263588400 SZMQEHBCNYBUFH-UHFFFAOYSA-N 393.403 1.385 0 50 GDAA N=c1cc[nH]c(-c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cc2)n1 534590825 MSXHVBLRPWLBJB-UHFFFAOYSA-N 375.436 1.699 0 50 GDAA O=C(c1cccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c1)N1CCCNCC1 299784216 SUERZJGVZJHZLY-UHFFFAOYSA-N 382.464 1.590 0 50 GDAA CNC(=O)CN(Cc1cnccc1C)S(=O)(=O)c1cccc2nsnc12 1875362396 CONCUMZIBMLUIS-UHFFFAOYSA-N 391.478 1.332 0 50 GDAA CCn1nc2c(c1C(=O)N1CCN(C3CCOCC3)C(=O)C1)C[C@H](C)O[C@@H]2C 1875314307 QYWHVTFHRMFFGL-UONOGXRCSA-N 390.484 1.389 0 50 GDAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076090564 PHIGUPPNYOLJQT-BDAKNGLRSA-N 390.753 1.670 0 50 GDAA CN1C(=O)CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)[C@H]1c1cnn(C)c1 268907222 NYNRZZOSUMTYAU-HHXXYDBFSA-N 398.463 1.389 0 50 GDAA CCc1noc(C)c1CN1CCC[C@@]2(CC(=O)NN2C(=O)c2cnc(C)[nH]2)C1 888103461 IXBSFDKHHWXJQC-LJQANCHMSA-N 386.456 1.489 0 50 GDAA CCn1cc(CN2CCCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)cn1 109662067 DBRSHBALLRDQGP-UHFFFAOYSA-N 384.480 1.951 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 276467068 NISOKFXRGFJSLZ-DOTOQJQBSA-N 380.452 1.285 0 50 GDAA O=C(NC1CN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)C1)C1CCC1 188492338 DZPFDYQXQPUMDW-HNNXBMFYSA-N 385.493 1.787 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)cc1Cl 1506410463 KYTRDQFOKDMGPN-KCJUWKMLSA-N 397.280 1.780 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1O 1529190656 KZJAYMREBLGEQF-JOYOIKCWSA-N 381.281 1.318 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)c3nnc4n3CCCC4)CC2)C1 1704339664 VPXUBPCJGLNURK-OAHLLOKOSA-N 388.472 1.090 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C[C@H]2O)n[nH]1 1704353321 MVNCZNKYPABZIA-SJKOYZFVSA-N 387.415 1.312 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772811786 ZBTHMFXPINUATL-QVKFZJNVSA-N 396.447 1.769 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCCn3cccn3)C2)cc1 11815266 GLMYASYDIMRUTB-KRWDZBQOSA-N 392.525 1.972 0 50 GDAA O=C1CCCN1CCNCc1ccccc1OC[C@H](O)CN1CCSCC1 12049854 YUNXHIGBYWZALX-GOSISDBHSA-N 393.553 1.187 0 50 GDAA O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 19882637 WFBXHBNMBUQMGK-LJQANCHMSA-N 381.476 1.760 0 50 GDAA CCc1ccccc1C(=O)N1CCC[C@]2(C1)CN(C(=O)C(C)(C)N)CC[C@H]2O 1857687598 VRAGHKGNIYCRIT-GCJKJVERSA-N 387.524 1.802 0 50 GDAA Cc1ncncc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857735584 FWSIHSYDDDLWII-OALUTQOASA-N 384.484 1.587 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 1857737832 FTUSHASYLVFLNN-UHFFFAOYSA-N 391.435 1.500 0 50 GDAA O=C(NCc1cccs1)c1cn(CCNC(=O)[C@H]2Cc3ccccc3O2)nn1 14999085 GASZKOGYRLWQRP-QGZVFWFLSA-N 397.460 1.390 0 50 GDAA C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc3ccccn3n2)C1=O 804378416 PSMWKMUMOZTUIF-IBGZPJMESA-N 381.367 1.879 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@](C)(O)c2cccc(F)c2)c1=O 928477646 CKUGTOOWYWDWGV-OAQYLSRUSA-N 399.422 1.346 0 50 GDAA O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 4476123 NZMFUXGJYHLOPT-OAHLLOKOSA-N 389.818 1.723 0 50 GDAA O=C(Nc1ccnn1Cc1ccncc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 2100483967 VKTIMHXEXJFGCE-MRXNPFEDSA-N 376.420 1.709 0 50 GDAA C[C@H](NC(=O)[C@@]1(C)CCCNC1=O)c1cc(F)ccc1N1CCC(O)CC1 2325745015 RKTGBMNJTOTFKJ-RBZFPXEDSA-N 377.460 1.880 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnc(N2CCCC2)n1 2325785540 DCVRCVAWLXLJQQ-APHBMKBZSA-N 390.875 1.496 0 50 GDAA CC[C@@H](Oc1ccc(CO)cc1)c1cn(CC(=O)N[C@H]2CCSC2)nn1 2325793425 UCCAGCSSWQLPNA-WMLDXEAASA-N 376.482 1.922 0 50 GDAA NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccn4cnnc34)c2)CC1 2325856350 MDVQUHAXDNGVAU-UHFFFAOYSA-N 378.436 1.679 0 50 GDAA Cc1cc(=O)c(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)nn1-c1ccccc1F 953003004 FLWCFHULJIZRGG-MRVWCRGKSA-N 386.427 1.795 0 50 GDAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCN(c2cnccn2)CC1 2356162578 FTNQVLXSMKKFNN-UHFFFAOYSA-N 399.520 1.652 0 50 GDAA O=S1(=O)CC[C@H](N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 20598309 NZPJQJDMGDCALV-HNNXBMFYSA-N 396.900 1.695 0 50 GDAA Cc1ccc(F)c(CNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)c1F 20207741 AIGCMLPNBYHYEC-OAHLLOKOSA-N 395.450 1.460 0 50 GDAA C[C@H](NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1nnnn1C 252500230 SPUIUGJXKNVFAL-QMMMGPOBSA-N 381.322 1.692 0 50 GDAA CCn1ncc(Cn2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cn2)c1C 2804640 OYHPUMIIUVLSRN-UHFFFAOYSA-N 394.501 1.066 0 50 GDAA O=C(c1ccccn1)N1CCN(C/C=C/c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72479738 MXBWTRFIIWMNGY-XCBOUCJHSA-N 397.500 1.718 0 50 GDAA Cn1cnn(-c2ccc(NC(=O)N3CCC(N4CCCN=C4O)CC3)cc2)c1=O 329104575 GQIJTBSNEAGDCW-UHFFFAOYSA-N 399.455 1.187 0 50 GDAA NC[C@@H](O)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77288036 NXZQLWPWALYJCD-INIZCTEOSA-N 379.888 1.391 0 50 GDAA C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1nc(C(F)(F)F)cs1 174969734 LCNUKSXPCBZLEC-VHSXEESVSA-N 399.460 1.628 0 50 GDAA COCCN(C(=O)CN1CCC=C(c2ccco2)C1)[C@H]1CCS(=O)(=O)C1 375687444 FVQMGRAUCRBRIJ-INIZCTEOSA-N 382.482 1.031 0 50 GDAA Cn1nc(NC(=O)c2ccn3nnnc3c2)c2c(N3CCOCC3)cccc21 72475738 TYPPVASDGJNLQF-UHFFFAOYSA-N 378.396 1.100 0 50 GDAA NC(=O)CNC(=O)c1cccc(OCc2ccn(-c3ccc(F)cc3F)n2)c1 241684845 QFQVHWKCRYHRSO-UHFFFAOYSA-N 386.358 1.945 0 50 GDAA CCOc1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72424379 DMPQNFXQSKFJBU-MSOLQXFVSA-N 378.494 1.419 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 17078866 PIKFROOENOPSCA-UHFFFAOYSA-N 386.470 1.945 0 50 GDAA CCCCN1CCN(C(=O)c2cc(C)ccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 82109329 HSRPMSWGTSFONR-SJORKVTESA-N 380.510 1.727 0 50 GDAA Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c2c(O)nc(=O)n(C)c2n1 426658312 IQMJNXCOGUEKOL-SNVBAGLBSA-N 378.392 1.710 0 50 GDAA O=C(CC1CCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)CCn1ccccc1=O 82087715 WCOUDXDFZSLNEH-IRXDYDNUSA-N 377.460 1.874 0 50 GDAA CN(C(=O)N[C@@H](Cn1cccn1)c1ccccc1)C1CCS(=O)(=O)CC1 426536524 QSCRHAVHQLOVFY-KRWDZBQOSA-N 376.482 1.843 0 50 GDAA O=C(O)c1cnc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c(Cl)c1 91819617 PHWSIKRFENWYFA-CJNGLKHVSA-N 383.876 1.733 0 50 GDAA COc1cc(CN(C)Cc2noc(C)n2)ccc1OC[C@@H](O)CN1CCCC1 95498648 LYOFWSSYIDPOGX-KRWDZBQOSA-N 390.484 1.854 0 50 GDAA CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1F 296361936 QPLGPFUIDZDVGA-UHFFFAOYSA-N 394.472 1.751 0 50 GDAA COc1cccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1OC 248138824 QCWJMPPMCUCZPH-QZWWFDLISA-N 396.399 1.607 0 50 GDAA Cc1ccnc(SCC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)n1 299800074 VNPCGHCXEQIHCU-OAHLLOKOSA-N 376.482 1.968 0 50 GDAA COc1ccccc1CN1CCN(C(=O)NCCc2nnc(C)s2)CC1 292208278 CYVHYXHYLURRAK-UHFFFAOYSA-N 375.498 1.925 0 50 GDAA Cc1nc(CC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cs1 670453852 LQRXWSCOJHYPQO-ZWVUXNTGSA-N 382.533 1.678 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1 1875369271 DUYOCRFHIWNCLA-UHFFFAOYSA-N 389.883 1.935 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2cc(C(F)(F)F)n(C)n2)N(c2ccncn2)C1 1875392310 PJRYMFOUFJOFHP-QWRGUYRKSA-N 384.362 1.253 0 50 GDAA O=C(NC12CC(CO)(C1)OC21COC1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 1875397278 TXGHRXRJVUYQRD-YMTQGWHGSA-N 395.459 1.292 0 50 GDAA O=C(Cn1cnnn1)NCC1CCN(Cc2cc(O)c3cccc(F)c3n2)CC1 952868216 FTUHOQCTNGMCRD-UHFFFAOYSA-N 399.430 1.094 0 50 GDAA CN1CC[C@H](NC(=O)N2CCC3(CC2)CNC(=O)O3)[C@H](Cc2ccccc2)C1 1565508244 UUPIOHWLHXRHSK-MSOLQXFVSA-N 386.496 1.833 0 50 GDAA CSCc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)o1 1565516852 DWEZFIKPAWSTMH-ZFWWWQNUSA-N 375.450 1.543 0 50 GDAA O=C(CN1CCc2ccccc2C1=O)NS(=O)(=O)Cc1c(F)cccc1F 789465147 RADMMINYSFAZIH-UHFFFAOYSA-N 394.399 1.609 0 50 GDAA COc1ccccc1CNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 1137962 LPAULONPVYMWAT-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)o1 12306978 BYWBPKJUFQWALJ-HNNXBMFYSA-N 399.447 1.949 0 50 GDAA COc1cc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc(OC)c1OC 12710228 RHMMFEVKZWODFB-HNNXBMFYSA-N 386.452 1.830 0 50 GDAA COCCN1CCC[C@@H](CNc2nc3nonc3nc2N2CCSCC2)C1 15071933 YOLJNXYKJCNUDE-ZDUSSCGKSA-N 393.517 1.336 0 50 GDAA Cc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C 19320753 POHLKNHAGYFGMU-UHFFFAOYSA-N 383.500 1.475 0 50 GDAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(CCO)CC1 169681421 KVJYCPCEVGRFOV-INIZCTEOSA-N 375.513 1.924 0 50 GDAA O=C1C[C@@H](C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)CN1Cc1ccccn1 1857671314 DQKDQLNEYUNTCF-OAHLLOKOSA-N 379.464 1.658 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@]2(CCN(c3ccncc3)C2)C1 1857682563 WJVAARPWTNVEMB-OAQYLSRUSA-N 383.496 1.872 0 50 GDAA NS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NC2c3ccccc3-c3ccccc32)C1 1857689227 JVZIQOMGFLJXLC-ZUOKHONESA-N 399.472 1.025 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)CSC)CC(=O)N2[C@@H]1c1ccccc1 1857689411 PIMRZBVNBVJFTE-IIDMSEBBSA-N 375.494 1.286 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)N3CCc4nocc4C3)CC2=O)s1 1857716407 LEOPOCBLMKVVFI-SNVBAGLBSA-N 377.426 1.000 0 50 GDAA CCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(C)s3)[C@H]3CC[C@]2(C1)O3 1857718262 QSHYNLXPHDJCOY-NRTGNBEESA-N 378.494 1.829 0 50 GDAA CN(C)Cc1nc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)cs1 1857722119 BWPLLBLAYCBELR-UHFFFAOYSA-N 388.497 1.233 0 50 GDAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2CO1 1857723368 CRCMTINDWINLDT-BQFCYCMXSA-N 380.510 1.247 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cc(C)cc(F)c3)[C@H]3CC[C@]2(C1)O3 1857730756 WCQFWNUVKJUFMU-TVKQPGBESA-N 375.444 1.089 0 50 GDAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 328633016 SFXVVCAFMHAXRP-UHFFFAOYSA-N 389.481 1.231 0 50 GDAA Cc1cccc(Cl)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 333923809 SPLVFVSQTPQXPH-CHWSQXEVSA-N 379.887 1.225 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCN(C[C@H]2CCOC2)CC1 267424413 XNLFVJVXMGRBTI-SJORKVTESA-N 391.537 1.924 0 50 GDAA O=C(c1ccc2cccnc2c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 2325786912 ZBCWRKBXBZXIMC-SJORKVTESA-N 391.435 1.127 0 50 GDAA NC(=O)NCCC(=O)N1CC[C@H](Cc2cn(-c3ccc4c(c3)CCC4)nn2)C1 2325869268 GAURQTZDKRDJPM-CQSZACIVSA-N 382.468 1.205 0 50 GDAA Cc1nc2c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)ccnc2n1C 2356158755 YBTOGKZURZFOKU-UHFFFAOYSA-N 376.413 1.620 0 50 GDAA Cc1cc(C)c(S(=O)(=O)NCCOc2ccccc2)c(C)c1-n1cnnn1 4686551 MBAACVNYASGERO-UHFFFAOYSA-N 387.465 1.945 0 50 GDAA COc1cc(CN2CCN(CCCn3cccn3)C[C@H]2CCO)cc(OC)c1 104398411 NLXDRFBJYXLTBI-LJQANCHMSA-N 388.512 1.859 0 50 GDAA CC1=C(C(=O)NCc2nc3cc(C)ccc3[nH]2)[C@@H](c2[nH]cnc2C)NC(=O)N1 67847326 XWGOHWMKKPGSKR-KRWDZBQOSA-N 379.424 1.847 0 50 GDAA CN(C)c1ccccc1C(=O)N1CCOC[C@H]1CC(=O)NC1CCOCC1 72435078 WZAWMLPTKOWLHZ-MRXNPFEDSA-N 375.469 1.279 0 50 GDAA Cc1ccccc1CN1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1 23337495 WCCHPFUEIIRFJV-UHFFFAOYSA-N 385.516 1.166 0 50 GDAA CCn1ccnc1CN1CCN(Cc2cc(OC)cc(OC)c2)[C@H](CCO)C1 22851567 JBZZGPLDHDIDBG-GOSISDBHSA-N 388.512 1.989 0 50 GDAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCC(=O)NC1=O 316368945 REXIRAOQRYWNQU-OIBJUYFYSA-N 389.633 1.791 0 50 GDAA CC1CCN(C[C@H](C)NC(=O)c2nn(C)cc2I)CC1 2781218 ZCDHREKVABTTDN-NSHDSACASA-N 390.269 1.875 0 50 GDAA Cc1nc(S(=O)(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1C 328643249 YRIYHJJVGYYLPV-SNVBAGLBSA-N 377.392 1.485 0 50 GDAA CC(C)CN1CCN(C(=O)c2ccc3[nH]cnc3c2)[C@H]2CS(=O)(=O)C[C@H]21 77320057 LEXYUAMBIDCYDN-SJORKVTESA-N 376.482 1.142 0 50 GDAA COc1cc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc2c1OCO2 328615013 APROBBWBXLJHEV-IFXJQAMLSA-N 386.452 1.775 0 50 GDAA Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(CN3CCN(C)CC3)cc1)C2 363299609 RDMHIMFCWKCKMP-HXUWFJFHSA-N 379.508 1.820 0 50 GDAA CCc1cc(C(=O)OC)c(NC(=O)CN2CCN(c3ncccn3)CC2)s1 35800885 ORRBQWPZJPUXDS-UHFFFAOYSA-N 389.481 1.648 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H](O)c1ccc2ccccc2c1 240551377 GTGIBXJRCDTKOI-FSAOVCISSA-N 390.439 1.797 0 50 GDAA Cc1ccc(-n2nc(C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)c3c2CCCC3)cc1 333861428 RTMFVPIWRASXMD-IYBDPMFKSA-N 378.432 1.404 0 50 GDAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc1 220113586 GUJZANAFOGRXES-RTBURBONSA-N 390.461 1.937 0 50 GDAA Cc1ccc(-c2ccc(C(=O)N3CCN(CCOCCO)CC3)cc2)c(N)n1 426511976 CHKLIBXTHPWTQS-UHFFFAOYSA-N 384.480 1.406 0 50 GDAA O=C(O)c1cccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)N2CCCCC2)C3)c1 223088244 BMOAVLZFFKFVIU-UHFFFAOYSA-N 382.420 1.672 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)NC[C@H]1CC(=O)N(C2CCCC2)C1 223674079 FJHHHGGDBCQGKP-OAHLLOKOSA-N 378.494 1.758 0 50 GDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 426530652 XLDFMKYWGZLXHA-NSHDSACASA-N 376.438 1.365 0 50 GDAA CN1CCN(CCNC(=O)N2CCC[C@H](COc3ccccc3F)C2)CC1 426443476 WMALIUUJCPWSBJ-KRWDZBQOSA-N 378.492 1.874 0 50 GDAA CCN(C(=O)NCc1nc(C)cc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 426465421 GFEYUQANMFGCFA-JTQLQIEISA-N 380.392 1.522 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 426537423 FODJYVBOTWUZRT-GOSISDBHSA-N 383.496 1.596 0 50 GDAA O=C(CCC(=O)N1CCC[C@@H](c2ccn(CCO)n2)C1)N1CCCCCC1 426429810 NAMLEGYWEAFXJC-QGZVFWFLSA-N 376.501 1.764 0 50 GDAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 91846980 DAKRJXVMYLEKRZ-OAHLLOKOSA-N 377.404 1.257 0 50 GDAA Cc1cc(N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)n2ncnc2n1 91663101 PWRXBKFSMMDVOV-UHFFFAOYSA-N 375.436 1.596 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccc[nH]c4=O)C3)CCC2=O)cn1 91793564 NOCXQAOMLPQQEB-OAQYLSRUSA-N 395.463 1.518 0 50 GDAA Cc1ncsc1CCC(=O)N[C@H]1C[C@H](c2nnc(Cn3cccn3)n2C)C1 252540610 PRHCSRVEHYLOIE-HDJSIYSDSA-N 385.497 1.820 0 50 GDAA N[C@@H]1CCN(C(=O)c2cccc(-c3cc(C(=O)N4CCOCC4)ccn3)c2)C1 534580407 FSLOLIFGHBVBDR-GOSISDBHSA-N 380.448 1.394 0 50 GDAA COc1cccc(OCC(=O)N[C@@H]2C[C@@H](C(=O)NC3CCC3)CC[C@H]2O)c1 1940195127 MOLBKMMZKZMPFY-MORSLUCNSA-N 376.453 1.389 0 50 GDAA O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1n[nH]c2ccccc12 299772848 CMXJHUSXGVUEMX-UHFFFAOYSA-N 376.482 1.334 0 50 GDAA OCCOc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299785849 OJNDHIQELKHHEM-UHFFFAOYSA-N 380.452 1.672 0 50 GDAA Cc1cccc(C[C@H](C)NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)n1 299789840 ABIHGFKMGZPKRJ-AWEZNQCLSA-N 379.457 1.863 0 50 GDAA O=C(CN1CCC(c2ccccc2)CC1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299764926 WUMWUBHFJJNMTR-PMACEKPBSA-N 381.480 1.830 0 50 GDAA CCCn1cnnc1CNS(=O)(=O)c1cc(-n2cccn2)ccc1OC 670474186 FYHQYMJPELNCDO-UHFFFAOYSA-N 376.442 1.361 0 50 GDAA COC(=O)c1ccc2c(S(=O)(=O)N3CC[C@@H](c4nccn4C)C3)ncn2c1 1875289679 INSJECDCOKDNFZ-GFCCVEGCSA-N 389.437 1.033 0 50 GDAA O=C(O)c1csc(N2CCN(C(=O)[C@@H]3CCCN3c3nccs3)CC2)n1 1875277679 YBEIOAPAILWEAT-LBPRGKRZSA-N 393.494 1.615 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(F)(F)F)nc(C(F)(F)F)n1 1875319413 BMKCTYTWFQLJEQ-YUMQZZPRSA-N 382.264 1.791 0 50 GDAA CC1(C)OC[C@H](c2cn(C3CCC(C(=O)N[C@@]4(C)CCOC4=O)CC3)nn2)O1 1875357423 HEHVVCJKUFNKBI-NOLSQUJPSA-N 392.456 1.655 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)CNC(=O)c1ccc(C)cc1 1875312989 LLPZFOFCLJARSX-UHFFFAOYSA-N 377.422 1.024 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)c2cc(Cl)c(OC)c3cccnc23)C[C@H]1O 1875404217 ZZPCINULCHFZOR-QMTHXVAHSA-N 377.828 1.466 0 50 GDAA CN(CCC(=O)NCc1nc(-c2ccccc2F)no1)[C@H]1CCS(=O)(=O)C1 952990238 LRVJNPCMBVBXHG-LBPRGKRZSA-N 396.444 1.001 0 50 GDAA Cc1cc(C(=O)NCC2CCN(C(=O)CCc3csc(N)n3)CC2)no1 952984360 ZXCSMDGYYWRGAR-UHFFFAOYSA-N 377.470 1.623 0 50 GDAA O=C1CN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)[C@H](c2ccccc2)CN1 886845715 LBMYEIQPBAFXPG-MOPGFXCFSA-N 392.459 1.843 0 50 GDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)Cn1nc2ccccc2n1 1565528195 ONFOCZONYOTHTJ-ROUUACIJSA-N 385.424 1.527 0 50 GDAA COc1ccc(C(=O)N2CCCN(C(=O)CN3CCCCCC3)CC2)cc1O 1529133339 JHBRDOXLGXLEHL-UHFFFAOYSA-N 389.496 1.951 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc(OC)c1 4099567 JCWWYVLGFJQWIC-VIPLHTEESA-N 378.421 1.861 0 50 GDAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)CC(=O)N2CCCC2)cc1 2849797 LEYLTYPGENGBRS-UHFFFAOYSA-N 393.509 1.231 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)cc1Cl 4937916 ULWZHKHFWFOGGK-LBPRGKRZSA-N 390.889 1.248 0 50 GDAA CNC(=O)Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccc3c(c2)CCC3)n1 1857673669 XKMKBRBKVFGUBZ-HNNXBMFYSA-N 377.452 1.366 0 50 GDAA O=C(NCCn1cccn1)[C@]12COC[C@H]1CN(Cc1ccncc1Cl)C2 1857691811 YLGKDLIBUGPYQH-CRAIPNDOSA-N 375.860 1.196 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cn3cc(Cl)ccc3n2)CC[C@H]1O 1857709966 BAXOZYOXUGZWFJ-QAPCUYQASA-N 381.860 1.600 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCc4ncccc4C3)CC2=O)s1 1857717047 VMODOKJLKVEDFF-ZDUSSCGKSA-N 387.465 1.407 0 50 GDAA Cc1nc2ccc(CC(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)cc2[nH]1 1857724542 GWCVCMXLMVOKNP-FPOVZHCZSA-N 396.495 1.678 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857727712 YPLQEVLNNYNAFQ-DODZYUBVSA-N 389.477 1.341 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nnc3n2CCC3)C[C@H]1NC(=O)CC 1875245067 IRGYRYGSEGAINK-RRFJBIMHSA-N 377.489 1.331 0 50 GDAA CN1CCN(C(=O)c2ccc(CNC(=O)c3cccc4ccnn34)cc2)CC1 2325776275 KCEGXWPLSMDHEB-UHFFFAOYSA-N 377.448 1.652 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2cncc(F)c2)C1 2325810486 NCZIODNXECUVDV-BDJLRTHQSA-N 376.413 1.267 0 50 GDAA Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(C)(=O)=O)CC3)n2)c1 65361902 KKSZVNMLVRNKLS-UHFFFAOYSA-N 392.481 1.675 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CNCCN3CCNCC3)C2=O)cc1 67856559 CKFVIPOJAANTFC-QFIPXVFZSA-N 388.556 1.158 0 50 GDAA CS(=O)(=O)N1CCc2c(ncn(CCCc3ccc(Cl)cc3)c2=O)C1 328602512 BWLREYXXXIDCLB-UHFFFAOYSA-N 381.885 1.847 0 50 GDAA COC(=O)c1cc(Br)c(S(=O)(=O)N2CCO[C@@H](C)C2)s1 252537450 LEURHVSGSPKXAL-ZETCQYMHSA-N 384.273 1.707 0 50 GDAA Cc1ccc(CN(C(=O)Cn2cc(C[C@H]3N=C(O)N=C3O)nn2)C2CC2)cc1C 328608325 ACJIHQPWPRXYRZ-QGZVFWFLSA-N 396.451 1.881 0 50 GDAA CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)Cn1cccn1)C2 77287839 MGMJHEOMRWCCBQ-UHFFFAOYSA-N 376.482 1.497 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 72168110 KWQUAHAQZUBBBV-SFHVURJKSA-N 383.496 1.882 0 50 GDAA COc1cc([C@H](CC(=O)O)c2c(O)cc(C)n(CC(=O)O)c2=O)ccc1O 217624121 MDXONZBKSQOJJZ-NSHDSACASA-N 377.349 1.268 0 50 GDAA biogenic Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@H]1O 154012478 OGORSOSSJUQYCJ-MJGOQNOKSA-N 393.447 1.152 0 50 GDAA O=C(Nc1ccc(F)cn1)C(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 365739275 SEIURNWCCNPGLG-ZDUSSCGKSA-N 382.399 1.683 0 50 GDAA CS(=O)(=O)C[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 378264423 KNSDDUYEGWBKML-DLBZAZTESA-N 392.481 1.970 0 50 GDAA CN1CCC2(CCCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)C2)CC1 374097949 AXZLGZLIPDXHOZ-OAQYLSRUSA-N 398.507 1.788 0 50 GDAA O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 375304214 UZBZTNIUWPTZMH-AWEZNQCLSA-N 394.522 1.750 0 50 GDAA CCCCN1CCN([C@H](C(=O)NCc2cc(C)no2)c2ccccc2)C(=O)C1=O 77385310 MUDJRGHVDZVCMN-SFHVURJKSA-N 398.463 1.811 0 50 GDAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 263299711 GKTFTBRQUACDAV-GXTWGEPZSA-N 375.404 1.718 0 50 GDAA O=C(c1ccc2nncn2c1)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 285568578 ZOESFZIIRMZWDY-KRWDZBQOSA-N 389.419 1.583 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncnc4[nH]ccc34)CC2)C1 71767575 JVMIAILBJXBKAF-OAHLLOKOSA-N 386.500 1.401 0 50 GDAA O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 285218353 PUXOHOLYDJORPQ-INIZCTEOSA-N 386.464 1.837 0 50 GDAA Cc1ccc(C(=O)NCCNC(=O)c2nc(Cn3cc(Cl)cn3)no2)cc1 20366717 JSKGTAWAFHUJJT-UHFFFAOYSA-N 388.815 1.436 0 50 GDAA Cc1ccc2cc(CN3C[C@@H](CN4C[C@H](C)O[C@H](C)C4)[C@@H](CO)C3)c(=O)[nH]c2c1 91644910 YWAIDIFTGIMTBQ-HRQSHJORSA-N 399.535 1.986 0 50 GDAA O=C(Nc1nc(Cc2ccc(F)cc2)n[nH]1)[C@@H](Cc1ccccc1)n1cnnn1 252571548 YEMGPQDRLSXWRE-MRXNPFEDSA-N 392.398 1.944 0 50 GDAA COc1ccccc1N1CC[C@H](NC(=O)NCc2ccc(C(N)=O)cc2)C1=O 268410865 UNWSFSVWFQCUTF-HNNXBMFYSA-N 382.420 1.399 0 50 GDAA Cc1cc(O)nc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n1 1940194843 WUWVHDRQRVBGNO-MOPGFXCFSA-N 384.436 1.484 0 50 GDAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CCN2CCN(C)CC2)n1 299756801 IYQPHOFXOKUWFJ-CYBMUJFWSA-N 375.439 1.600 0 50 GDAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccc(O)c(OC)c2)CC1 823117522 FSRLNLXOOJEAGK-ZDUSSCGKSA-N 399.451 1.512 0 50 GDAA CN(C)c1ncc(/C=C/C(=O)NC[C@H](c2ccccn2)N2CCOCC2)cn1 827603798 FFYGWISADFMFQC-IPLHWJFFSA-N 382.468 1.141 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](C)c2cnc3ccccc3n2)ncn1 1875400266 VKZPBWCVEYIDNH-RRFJBIMHSA-N 379.468 1.752 0 50 GDAA COC[C@@H]1CCN(S(=O)(=O)N(C)[C@H](C(=O)O)c2ccc(F)cc2F)C1 1875306810 PRUSEHXWWZOYJX-YGRLFVJLSA-N 378.397 1.235 0 50 GDAA CCCCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1c(C)nc(O)nc1O 1875346142 UNBXZYUMBVLJFV-UHFFFAOYSA-N 397.501 1.928 0 50 GDAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NC1CC(C)(CO)C1 1875312877 DTRWXOXDDLSFGX-UHFFFAOYSA-N 378.379 1.581 0 50 GDAA CNc1cnc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)[C@H](C)Oc3cccnc3)C2)cn1 1875352752 CRDIAVOXHMRYID-RRFJBIMHSA-N 398.467 1.396 0 50 GDAA Cc1ccc2c(c1)CN(C(=O)NCc1cc(S(N)(=O)=O)cnc1C)CCO2 888102579 FBFPCFZJEYGZKN-UHFFFAOYSA-N 390.465 1.450 0 50 GDAA CCCc1noc(CN(C)C(=O)[C@]23CNC[C@H]2CN(Cc2ccccc2)C3)n1 1565528582 PMUVGRIEQYWONJ-UWJYYQICSA-N 383.496 1.702 0 50 GDAA Cn1ccnc1N1CCC(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)CC1 1321273454 KCNLYJPSAQLTDA-IBGZPJMESA-N 382.512 1.955 0 50 GDAA Cc1cc(C)nc(-n2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)c(C(C)C)n2)n1 408513473 BUJWSMZBBJPEQV-CQSZACIVSA-N 387.440 1.718 0 50 GDAA CCS(=O)(=O)NCCCNC(=O)NC[C@H](O)c1cc2ccccc2s1 757738424 QHOZAUIWHMIKOT-ZDUSSCGKSA-N 385.511 1.563 0 50 GDAA O=C(CCn1cnnc1)N1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1704339275 PTUOQFZEHCZCGZ-UHFFFAOYSA-N 384.415 1.663 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCn3cnc4ccccc4c3=O)C[C@@H]2O)on1 1704351304 VLUHHPFNVZNXFV-BEFAXECRSA-N 396.447 1.535 0 50 GDAA Cc1ccn(CCC(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)n1 11973993 IYWKNJKGYFWYTE-HXUWFJFHSA-N 389.500 1.835 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)n1 12432607 ZPKQKBPJFPHVFJ-KRWDZBQOSA-N 381.480 1.628 0 50 GDAA Cc1nsnc1C(=O)N[C@H]1CCC[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 1857698797 IOSTXOAOLYDDNN-OLZOCXBDSA-N 376.486 1.607 0 50 GDAA O=C(CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)CCO2)NC1CC1 1857719638 RTVDEIQCQTVVCQ-UHFFFAOYSA-N 389.471 1.688 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1)c1ccccn1 408525123 LQXWRIRYRLEVHS-OAHLLOKOSA-N 375.450 1.504 0 50 GDAA C[S@@](=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 267416080 YZWSACKTKHEKPO-GUXPCRASSA-N 389.521 1.695 0 50 GDAA Cn1ccnc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100483799 PUJGQJKKLPATFN-UHFFFAOYSA-N 384.484 1.232 0 50 GDAA O=S1(=O)C[C@@H](O)[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 19857428 KRKIISNARATNOH-WOJBJXKFSA-N 386.517 1.552 0 50 GDAA O=C(NCc1ccn(-c2c(F)cccc2F)n1)c1cn([C@@H]2CCCNC2)nn1 2325769031 BEOPOTJZPJZQLK-CYBMUJFWSA-N 387.394 1.597 0 50 GDAA O=C(Cc1ccc(Br)cc1O)Nc1cnn([C@@H]2CCNC2=O)c1 2325782106 ZADRZZNQDCJQEF-GFCCVEGCSA-N 379.214 1.593 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cccc2c1OCCCO2 2325785185 IRVRJLGIWFWEJA-FUHWJXTLSA-N 399.495 1.697 0 50 GDAA CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 2325803058 NHVRIQYXVMKMMW-QGZVFWFLSA-N 387.480 1.131 0 50 GDAA O=C([C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1)N1CCCN(C2CC2)CC1 2325807230 JFNWARWDDBMFSW-OAHLLOKOSA-N 399.474 1.529 0 50 GDAA COC1CC(C(=O)N[C@@H]2CC3(CN(C(=O)c4cccc(F)c4)C3)n3ccnc32)C1 2332237570 BLFPUGXTVQWCOH-BDVYOWHSSA-N 398.438 1.860 0 50 GDAA COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3ccccc3c1=O)CC2 7005316 TXMJJKOLMYRTIW-UHFFFAOYSA-N 379.416 1.999 0 50 GDAA biogenic Cc1oc(-c2ccccc2Cl)nc1CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1 72435020 HKDOBDOLASYELH-MRXNPFEDSA-N 388.855 1.788 0 50 GDAA CCc1c(C)cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c(=O)n1C 65536268 CSHKYGSGPOUJQC-MAUKXSAKSA-N 398.459 1.975 0 50 GDAA O=C(c1ccc(N2CCC[C@H](CO)C2)nc1)N1CCC(N2CCOCC2)CC1 67695243 FVEJSRSWDBJCKO-KRWDZBQOSA-N 388.512 1.227 0 50 GDAA CCn1c(C2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)nn(C)c1=O 67689285 WXIWVOFCBSHLKG-UHFFFAOYSA-N 392.481 1.025 0 50 GDAA Cc1ccc(C)c(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)N(C)C)c1 65364333 ZBFGHCZHACIKKJ-UHFFFAOYSA-N 382.530 1.127 0 50 GDAA CCNc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(C)n1 65362125 VJNUJCWCWCFYIK-UHFFFAOYSA-N 379.461 1.867 0 50 GDAA O=C(Nc1cnns1)c1ccc(CN2CCN(c3ncccn3)CC2)cc1 65371434 PWNMPGYRWFQNNF-UHFFFAOYSA-N 381.465 1.903 0 50 GDAA Cc1nc(O)cc(C2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)n1 65399183 JCEZGSXSDNUQBE-UHFFFAOYSA-N 383.452 1.798 0 50 GDAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)N=C(O)CO3)cn1 328644830 ZLDGPDUZPGBOPQ-BLLLJJGKSA-N 378.410 1.209 0 50 GDAA O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(C(=O)c2ccco2)CC1 363298744 ICDKBBHIGQWDIU-UHFFFAOYSA-N 380.408 1.528 0 50 GDAA C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)C(=O)NCc1ccco1 363266669 USKDGZXDYWQMIC-XJKSGUPXSA-N 385.420 1.411 0 50 GDAA CN(C(=O)Cc1cnc2ncnn2c1)[C@H]1CCCN(CCc2ccccc2)C1 39519039 AKEIRIGVMVYUQQ-IBGZPJMESA-N 378.480 1.832 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)N[C@H]2CCNC2)c1)C1CCSCC1 215806354 WKGSMCJCMHGFBU-AWEZNQCLSA-N 383.539 1.294 0 50 GDAA COC(=O)c1cn(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)nn1 375454580 WRMCJVLQSVIRRK-CZUORRHYSA-N 390.444 1.126 0 50 GDAA C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(CN(C)C)c3)cn2)C[C@@H](C)O1 173522143 XCGVEYJAZXGVLF-HZPDHXFCSA-N 399.495 1.833 0 50 GDAA Cc1nc2cc(OCc3nc(C(=O)NC(C)(CO)CO)co3)ccc2s1 71746475 OJNJXNVVBONMQQ-UHFFFAOYSA-N 377.422 1.645 0 50 GDAA CCc1noc([C@]2(O)CCN(C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)n1 376626072 AXIJTEKUEOPXTE-AWEZNQCLSA-N 388.350 1.818 0 50 GDAA O=C(O)[C@H](CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCOCC1 262961691 NUTVCABVWQPQJW-HZPDHXFCSA-N 378.400 1.422 0 50 GDAA CN1CC2(CCN(C(=O)c3ccc(-n4cnnc4)cc3Cl)CC2)OC1=O 77470614 MFRYKEKDVWVNAO-UHFFFAOYSA-N 375.816 1.978 0 50 GDAA COc1ccc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c(O)c1 71760214 CXUJZSGIPWOLGR-UHFFFAOYSA-N 378.388 1.745 0 50 GDAA CN(C)CC1(O)CCN(C(=O)c2ccc(-c3ccccc3C(N)=O)cc2)CC1 426491618 ZSQGKJIXLQNPLF-UHFFFAOYSA-N 381.476 1.981 0 50 GDAA Cc1nc(CC(=O)N2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cs1 96159917 SOEKUZMXOMWNOC-FZKQIMNGSA-N 379.482 1.018 0 50 GDAA Cc1oc2c(c1C(=O)N1CCC(c3nccn3CC(N)=O)CC1)C(=O)CCC2 96166364 BQTHHZYIJCAFIA-UHFFFAOYSA-N 384.436 1.809 0 50 GDAA Cc1nc(CCC(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)n[nH]1 95518069 YWBWAGXTEVJQEN-KRWDZBQOSA-N 383.452 1.748 0 50 GDAA O=C(CN1CCC[C@@H](O)C1)N1CCC(c2nccn2Cc2ccccn2)CC1 95498630 OZGPDRUYRKJKFE-LJQANCHMSA-N 383.496 1.489 0 50 GDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCN2CCNC(=O)C2)C1 91587346 OONGYECLXVYMKD-OAQYLSRUSA-N 387.480 1.408 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3cccc(Cl)c3C)C[C@@H]2C1 91893341 NOTPPHZICQCOAN-LIRRHRJNSA-N 380.872 1.720 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CO)c3ccccc3)n2)cc1 252482969 DRHBRZUGDQPNQE-IBGZPJMESA-N 379.416 1.769 0 50 GDAA COC(=O)c1cc(=O)c2cc(-n3cc(C(=O)OC)c4n[nH]c(=O)c-4c3)ccc2o1 253399434 CXIWMIVSCIVQMY-UHFFFAOYSA-N 395.327 1.345 0 50 GDAA O=C(Cc1cccc(F)c1)N[C@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@@H]1O 1940197847 WRMSITXQJONREJ-SNRMKQJTSA-N 385.439 1.378 0 50 GDAA Cc1cc(OC[C@@H](O)CNC(=O)NCCC(=O)N2CCCC2)ccc1Cl 584886545 KVXSDGHZTNDZRP-AWEZNQCLSA-N 383.876 1.700 0 50 GDAA COc1cc(NC(=O)Cn2cc(CN(C)C3CC3)nn2)cc(OC)c1OC 1875270078 XZHAJCXDXXEPKV-UHFFFAOYSA-N 375.429 1.537 0 50 GDAA N[C@@H]1CN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@]2(CCOC2)C1 1875291132 PAMSNPKAYGGTEC-GHTZIAJQSA-N 375.488 1.946 0 50 GDAA NCCn1cc(C(=O)NC2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1 1875267242 GUVIJXPAADASKM-UHFFFAOYSA-N 382.390 1.654 0 50 GDAA CNCC1CCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)CC1 1875350534 QXLGVUDZIBIKIQ-UHFFFAOYSA-N 382.424 1.160 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)C1(C)CC=CC1)C2 1875395810 MRUAPVHEGFQVLX-KRWDZBQOSA-N 397.523 1.527 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ccc21 1875403470 URRQCNMSBWLCDG-MZMPZRCHSA-N 383.452 1.231 0 50 GDAA C[C@@]1(C(F)F)CN(C(=O)[C@@H]2CC[C@H](C(N)=O)N2Cc2ccccc2)CCO1 880780261 SZLMSVLJWDVWRN-VCBZYWHSSA-N 381.423 1.388 0 50 GDAA COc1cccc(CN2CCN(C(=O)c3nc(N)nc4c3CCCC4)CC2=O)c1 952984506 WTZDOFRUINZXSU-UHFFFAOYSA-N 395.463 1.431 0 50 GDAA O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC[C@@H]1OCCc2ccccc21 885945342 QQBBDSVZMSNUFZ-KRWDZBQOSA-N 382.416 1.965 0 50 GDAA Cn1cc(N2C[C@H](C(=O)N3CC(C)(C)[C@H]3c3nccn3CC3CC3)CC2=O)cn1 888100614 ULYUHODGZCHPPS-CRAIPNDOSA-N 396.495 1.989 0 50 GDAA Nc1ccc2c(c1)OCCN(C(=O)c1cc3n(n1)CC1(CCNCC1)OC3)C2 1775961963 KOZMXEKMZSJPNQ-UHFFFAOYSA-N 383.452 1.153 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2ccc3cn[nH]c3c2)[C@@H]1c1cnn(C)c1 275356735 UWRONTLHQZUADQ-OXJNMPFZSA-N 382.468 1.622 0 50 GDAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)cn1 189162042 BYIPBJHDWPXMMC-CQSZACIVSA-N 393.469 1.171 0 50 GDAA CCN1CCN(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704280613 UYKOJLJSYXMBMZ-NQIIRXRSSA-N 382.508 1.546 0 50 GDAA O=C(O)c1cccnc1N1C[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@]2(CO)C1 1772815761 VMYWLJYQNPNTOU-VGSWGCGISA-N 395.459 1.645 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)c2c(C)nn(C)c2n1 1772710763 RYCNJEARCSAMRB-HNNXBMFYSA-N 385.468 1.296 0 50 GDAA CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)CN1CCOC1=O 15073761 LJILAHPGQLEKQI-QGZVFWFLSA-N 377.460 1.991 0 50 GDAA CC(C)(CNC(=O)c1cn(Cc2ccccc2Cl)nn1)N1CCOCC1 19217878 HNABTENVFGODMD-UHFFFAOYSA-N 377.876 1.820 0 50 GDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(OCC(=O)O)c(OC)c1 4810924 FCCZMGYUXUTHSB-ZDUSSCGKSA-N 384.772 1.613 0 50 GDAA Cn1c(=O)c(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc2ccccc21 1857694763 WSCHHUCHKPOKRZ-UHFFFAOYSA-N 376.420 1.853 0 50 GDAA O=C1CO[C@H](Cn2ccnc2-c2cnc[nH]2)CN1CC1CCN(CC2CC2)CC1 1857706028 HFCGMHPRFOXGAI-GOSISDBHSA-N 398.511 1.623 0 50 GDAA O=S1(=O)CCN(C[C@]2(O)CCCN(c3nccc4ccccc34)C2)CC1 1857717654 RDLAZEACUOIMQA-LJQANCHMSA-N 375.494 1.297 0 50 GDAA CCc1cc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)ncn1 252157799 HNFMCPCPNPGVAT-VXKWHMMOSA-N 395.551 1.839 0 50 GDAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCO[C@@H](CC(=O)O)C3)c2C)n1 262745475 JTHAFRRCXUGHBF-HNNXBMFYSA-N 387.440 1.141 0 50 GDAA O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N1CCC(CO)(CO)C1 828694389 PMZFCJUUARBRBP-UHFFFAOYSA-N 385.342 1.414 0 50 GDAA NCc1cn([C@@H]2CCN(C(=O)/C=C/c3c(Cl)nc4sccn34)C2)nn1 2325760855 JIMNFTBNQIIUKS-FMBMQGQPSA-N 377.861 1.586 0 50 GDAA CCOC(=O)c1nn(C)c2c1CN(c1ccnc(N[C@H]3CCCNC3)n1)CC2 2325800395 BZXXXTGSSMDJAK-ZDUSSCGKSA-N 385.472 1.113 0 50 GDAA CN(C)c1cccc([C@H](CO)NCC2=Nc3cccc(F)c3S(=O)(=O)N2)c1 2325807564 DFJUBLBSUQOARH-INIZCTEOSA-N 392.456 1.537 0 50 GDAA CC(C)CC1(C(=O)N[C@@H]2CC3(CN(C(=O)c4cn(C)cn4)C3)n3ccnc32)CC1 2332237695 HYPPXFLJMUSMRW-OAHLLOKOSA-N 396.495 1.855 0 50 GDAA O=C(OCc1ccccc1)N1CCOCCOCCNCCOCCOCC1 4661816 IKQUTECSTHBOCT-UHFFFAOYSA-N 396.484 1.295 0 50 GDAA C[C@H](CCCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 225550956 UURQMDNNDJYPEL-SECBINFHSA-N 375.390 1.419 0 50 GDAA COc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)c1 20729704 UNWSPWSXPQZYOD-MRXNPFEDSA-N 380.448 1.792 0 50 GDAA COc1nc2c(cc1CNC(=O)c1c[nH]c(=O)cn1)C(=O)N(C1CCCC1)C2 71777065 MYDOJEFXNQCMSU-UHFFFAOYSA-N 383.408 1.002 0 50 GDAA COc1ccc(CCN2C[C@@H](NC(=O)c3c(C)[nH]c(C)cc3=O)CC2=O)cc1 72165746 QOMYGSQNNRGJGP-INIZCTEOSA-N 383.448 1.574 0 50 GDAA CN1CCN(CC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1=O 333013413 BPBFPIVSTXFDTM-AWEZNQCLSA-N 376.526 1.502 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC(N2CCC(O)CC2)CC1 72166229 VRWCXEYROFBNKB-UHFFFAOYSA-N 381.480 1.908 0 50 GDAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2c[nH]c3ncccc23)C1 488493561 MTQRBHHVGFHVLO-GXFFZTMASA-N 390.387 1.783 0 50 GDAA CN(C)CCn1ccc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 173922005 JNIWOPRNMIWGOX-SFHVURJKSA-N 386.500 1.328 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77341910 IXBNOOPZZDQKJJ-OZIGNCPNSA-N 398.507 1.915 0 50 GDAA O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCC[C@](CO)(c2ccccc2)C1 374620041 QGTYTPWKPJGVNC-IBGZPJMESA-N 387.461 1.983 0 50 GDAA O=C(Nc1cc(-n2cnnn2)ccc1Cl)[C@H]1CC12CCS(=O)(=O)CC2 375188431 OPHARRUMQOZXCT-LLVKDONJSA-N 381.845 1.469 0 50 GDAA CN1C(=O)C[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)[C@@H]1c1cccc(Cl)c1 263012346 RJDJDTIYGMLXJD-WBMJQRKESA-N 376.800 1.779 0 50 GDAA COCCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@H]13)O2 77424136 OJMHDGIYGFDSSQ-OZIGNCPNSA-N 384.476 1.690 0 50 GDAA CCn1ncnc1[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)C1CC1 222862350 GUSCPHHPKVVCFA-KRWDZBQOSA-N 391.497 1.406 0 50 GDAA CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(C=O)cc1 220112959 MSCITXKKGMUNOD-UHFFFAOYSA-N 380.441 1.787 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)NCCOc3ccccc3F)CC2)C1=O 426656932 KGYRCPIPHIUZBI-UHFFFAOYSA-N 378.404 1.273 0 50 GDAA O=C(N1C[C@H]2CN(CCO)C[C@@]2(C(=O)O)C1)C1(c2ccccc2)CCCCC1 96140144 OFJOIRWUTDCMOP-XMSQKQJNSA-N 386.492 1.726 0 50 GDAA CCN1CCC[C@@H](CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)C1 95512093 MMSSEUILCONQPO-QGZVFWFLSA-N 389.544 1.464 0 50 GDAA CC1(C)CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)CCO1 97698953 JTWKNRJCNKWMKD-AWEZNQCLSA-N 382.482 1.252 0 50 GDAA CC(=O)c1cc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cs1 96160612 HDDWDKXGKBERQT-KXBFYZLASA-N 378.494 1.948 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CCn1cc[nH]c1=O)C2 252494391 NUKBZTDTSWRDTJ-GGPKGHCWSA-N 378.517 1.016 0 50 GDAA NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3F)cc2)C1 534661131 JGQWALLIXVLFRA-GFCCVEGCSA-N 377.441 1.561 0 50 GDAA COCc1cc(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 1875398928 JMNVMMZKVBYHAI-JCURWCKSSA-N 399.900 1.801 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](C)Cc2ncccc2Cl)ncn1 1875399795 JGRNSSZBMDWHIK-BFHYXJOUSA-N 376.892 1.727 0 50 GDAA Cn1nncc1S(=O)(=O)N1Cc2cnn(-c3ccccn3)c2CC(C)(C)C1 952893575 JJBLTTDMZFBYLK-UHFFFAOYSA-N 387.469 1.169 0 50 GDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCN(S(=O)(=O)CC)CC1)(C3)C2 952966431 JNCHXJWCYUMSJC-QXCFHYIPSA-N 384.542 1.592 0 50 GDAA O=C(N1CCC(S(=O)(=O)N2CCCCC2)CC1)C(F)(F)C1(O)CCCC1 886170962 QZPLJBHPPBAHJF-UHFFFAOYSA-N 394.484 1.734 0 50 GDAA Cc1ccc(F)c(S(=O)(=O)NCCNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1 886091650 FELYXPQCYJVTCV-OCVGTWLNSA-N 395.456 1.007 0 50 GDAA O=C(NS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCCS1(=O)=O 408505481 ZLZCHGIHFDHMHM-NSHDSACASA-N 396.284 1.221 0 50 GDAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 278894519 QTICFAWBSWFJFN-CQSZACIVSA-N 396.513 1.775 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cc2)C(=O)N1 1506398562 RSNCXHMGQHAOQK-HNNXBMFYSA-N 392.415 1.873 0 50 GDAA NC(=O)COc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1Cl 1529162149 XTLSICXNGYHYKG-CZUORRHYSA-N 376.844 1.030 0 50 GDAA CCOCCN1C[C@H]2CN(C(=O)c3c(C)noc3C)C[C@@]2(CCC(=O)O)C1 1772711132 ZBCCDGTVBKLZLP-HNAYVOBHSA-N 379.457 1.567 0 50 GDAA Cc1cc(C)nc(CNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)n1 1772815470 MDNYOQDNHFMPCM-AWEZNQCLSA-N 387.509 1.808 0 50 GDAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)CC1 11839086 XOWOIGDZFKPCKD-IBGZPJMESA-N 378.561 1.698 0 50 GDAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12430667 WYOQUPRIAFEQIF-GOSISDBHSA-N 383.448 1.162 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3C2)c1 14539562 GRZRCAAFLJTIKK-JKSUJKDBSA-N 393.509 1.049 0 50 GDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NCc1cn2ccncc2n1 1857681327 JDWLECSEHZKUFM-ZDUSSCGKSA-N 376.424 1.324 0 50 GDAA Cc1cccc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)CCCn2cccn2)n1 1857689035 CCMDDPAVGAOUSI-OALUTQOASA-N 381.480 1.811 0 50 GDAA Cc1csc(CN2CCOC3(CCN(C[C@H]4CNC(=O)C4)CC3)CC2=O)n1 1857692208 UDXYFLGAZZRRKT-OAHLLOKOSA-N 392.525 1.171 0 50 GDAA COc1cc(Oc2cc(C(=O)N[C@H]3CCN(C)C3=O)ccc2OC)ccc1CN 1857692934 AMQQANJIFCIXBC-INIZCTEOSA-N 399.447 1.915 0 50 GDAA COCCC(=O)N[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[C@@H]1O 1857698280 JRHQWAQTAGPBGG-SJORKVTESA-N 380.872 1.704 0 50 GDAA O=C(Cn1ccccc1=O)N[C@H]1CC[C@@H](NC(=O)CCOc2ccccc2)C1 1857707323 NVHNDOCYFPUPGD-SJORKVTESA-N 383.448 1.471 0 50 GDAA CCn1c(CN2CCNCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 261633896 DBNIHMFMPPQNNB-UHFFFAOYSA-N 391.541 1.636 0 50 GDAA O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 707332 RDSQUXOYKMVMBO-UHFFFAOYSA-N 388.858 1.465 0 50 GDAA Cc1nn(C)cc1C[C@@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(=O)O 2325850696 FPGAHQFJKBKBJY-CYBMUJFWSA-N 393.469 1.134 0 50 GDAA Cn1c(NCc2ccco2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 789651 BQHJVIMHCMZJGD-UHFFFAOYSA-N 379.420 1.882 0 50 GDAA biogenic N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 2516126 MAQKGNBGUVFWNR-PMACEKPBSA-N 393.443 1.531 0 50 GDAA in-vitro CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)NC(=O)N[C@]1(O)C(F)(F)F 4269759 NIJSHWGTKMTGBK-FIXISWKDSA-N 392.330 1.488 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1OC 10008780 ZFPCZXLGXADWAV-UHFFFAOYSA-N 380.422 1.873 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 10334827 HCNYDDZEMGMHPO-UHFFFAOYSA-N 390.303 1.906 0 50 GDAA CCS(=O)(=O)c1ncc(CN(CC2CC2)C[C@@H]2CCCO2)n1CCOC 12301316 YNIILZUEWFHJSM-KRWDZBQOSA-N 385.530 1.714 0 50 GDAA O=C(NC1CCOCC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20451947 MNHMYFJKQCGFEJ-UHFFFAOYSA-N 384.480 1.901 0 50 GDAA O=S(=O)(c1ccc(NC(=S)NCCN2CCOCC2)cc1)N1CCCC1 20478597 FJOYATUPWJHJKI-UHFFFAOYSA-N 398.554 1.090 0 50 GDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 64800506 CCHCINWKRNYRKO-UHFFFAOYSA-N 379.461 1.867 0 50 GDAA CN1CCCn2nc(C(=O)N3CCN(Cc4ccc(F)cc4)C(=O)C3)cc2C1 65381607 ACMGBYMGQBDULS-UHFFFAOYSA-N 385.443 1.342 0 50 GDAA Cn1ccnc1CN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71708178 DOYJKTKSCJMACF-LJQANCHMSA-N 396.539 1.808 0 50 GDAA Cc1noc2ncnc(N3CCC(N4CCC[C@H](C(=O)NC5CC5)C4)CC3)c12 71738444 ZVMGSNIFGCMNGE-AWEZNQCLSA-N 384.484 1.886 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H]1COCCO1)C(=O)N(C1CCCC1)C2 71751687 RKOQXRYMDWLGCE-INIZCTEOSA-N 375.425 1.020 0 50 GDAA Cc1cccc(N(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)S(C)(=O)=O)c1 77300404 QNPMJMWKDXEWRH-HNNXBMFYSA-N 376.482 1.890 0 50 GDAA CN(C)CCN1C[C@@]2(CCCN(Cc3cccc(OCCO)c3)C2)CCC1=O 91425066 QXWYQAJFPCTOPN-QFIPXVFZSA-N 389.540 1.824 0 50 GDAA Cc1nnnn1CCCN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 91593472 RXHPZMQKTOSTCF-FQEVSTJZSA-N 383.500 1.671 0 50 GDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3nc(C)nn3C)C2)c1 95502983 YFKKXMAUXKHXHB-OAHLLOKOSA-N 387.484 1.783 0 50 GDAA Cc1cccc(CCN2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 95507020 BLQPJUOEOPFFRN-VQTJNVASSA-N 386.521 1.311 0 50 GDAA CN(C)c1ccc(CCC(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)cc1 95512116 HWEIDWBLZOGTRI-QGZVFWFLSA-N 383.496 1.773 0 50 GDAA Cc1cccc(Cn2nc(CC(N)=O)nc2-c2ccc3c(c2)NC(=O)CN3)c1 96137984 TXAZVRBGNLINFE-UHFFFAOYSA-N 376.420 1.694 0 50 GDAA CC(C)(C)c1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1 96179841 WWQKRSRSDRSDJH-VQIMIIECSA-N 380.510 1.762 0 50 GDAA C[C@]1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CC(=O)N=C2C=CC=CN21 170575205 ZLBFJZROHLGPLB-IIBYNOLFSA-N 392.415 1.753 0 50 GDAA C[C@@H](CNS(=O)(=O)CC1CCOCC1)N1CCN(c2ccccc2)CC1 173029409 DRTBLAZIZXBVNF-KRWDZBQOSA-N 381.542 1.543 0 50 GDAA O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@H](N2CCNCC2=O)C1 186716100 REKAEVKZQXRDDH-ZDUSSCGKSA-N 389.481 1.154 0 50 GDAA COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2nc3c(F)cccc3[nH]2)C1 190375082 YPGGGXGTQQTBGT-ZDUSSCGKSA-N 384.477 1.574 0 50 GDAA COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CN2CCCCC2)cc(=O)c1O 218128037 QMSFMYVDVOBSBR-HNNXBMFYSA-N 375.425 1.760 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 244673610 HSLIMLMXPXZWEZ-JOCQHMNTSA-N 380.456 1.338 0 50 GDAA C[C@@H](NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1nnnn1C 252500229 SPUIUGJXKNVFAL-MRVPVSSYSA-N 381.322 1.692 0 50 GDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1 262875200 YEBSYBFCKOFMML-SJORKVTESA-N 375.446 1.634 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cnn(Cc3ccccc3)c1)C2 275359318 VGTNSGIMQKWODK-UHFFFAOYSA-N 399.476 1.255 0 50 GDAA COC(=O)Cc1cccc(S(=O)(=O)NCCN2CCc3sccc3C2)c1 289894238 SCDIDJCIPCTRGZ-UHFFFAOYSA-N 394.518 1.800 0 50 GDAA COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(CCO)CC2 299757844 CHSRGAOPPMKYTQ-UHFFFAOYSA-N 390.411 1.203 0 50 GDAA CC(C)n1cc(C[C@H]2N=C(O)N(CC(=O)N3CCCc4ccccc43)C2=O)nn1 328615459 YNGAKRWMXCNEMP-MRXNPFEDSA-N 396.451 1.506 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2cc(N[C@H]3CCCO[C@H]3C(C)C)ncn2)C1 328632625 LLRQPVDOVNHTFU-VKJFTORMSA-N 397.545 1.610 0 50 GDAA O=C1[C@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)CCN1c1c(F)cccc1F 333115867 UAYANQRAPNIHHH-CRAIPNDOSA-N 384.448 1.971 0 50 GDAA Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 376044781 CHRXDBICDAGEEX-ZDUSSCGKSA-N 392.930 1.837 0 50 GDAA Cc1ccc(F)c(CC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 449910623 HNKZXJVOUNRNTG-UHFFFAOYSA-N 399.470 1.652 0 50 GDAA CS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 451915201 SWJNATLGRPXZDD-MRXNPFEDSA-N 397.522 1.519 0 50 GDAA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3cnn(CCC(N)=O)c3)c2)C1 534578214 PTYMBAYWVPKDPS-MRXNPFEDSA-N 383.452 1.024 0 50 GDAA CCN(C(=O)NCCc1nc2cc(C)c(C)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 534659723 TWILOVLGUKQESP-AWEZNQCLSA-N 378.498 1.941 0 50 GDAA CN(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H]1CCS(=O)(=O)C1 823668419 IBPNGOPYNFUCNW-AWEZNQCLSA-N 375.494 1.562 0 50 GDAA CCc1onc(C)c1NC(=O)N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1 886027698 FOPFKYGMXPKHHY-QLFBSQMISA-N 375.473 1.895 0 50 GDAA CC(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2ccccn2)CC1 888103470 JGCXZWAVYYRIKT-MOPGFXCFSA-N 385.512 1.697 0 50 GDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2c(C)nsc2C)CC1 888103628 QLEJYIHRVZOSDZ-ROUUACIJSA-N 391.541 1.739 0 50 GDAA CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)(N2Cc3ccccc3C2=O)CC1 952962937 MLFLTLYAQHYFHD-UHFFFAOYSA-N 398.507 1.188 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c(OC)c1 952987523 JTKXBESKNDMZNI-OAHLLOKOSA-N 386.514 1.417 0 50 GDAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2ccno2)ccc1OC 952988757 PBBRRZVPFWNYOL-ZDUSSCGKSA-N 379.438 1.639 0 50 GDAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1cn(C2CC2)c(=O)nc1O 1475629381 WHKLXVFGPCXMDQ-UHFFFAOYSA-N 395.485 1.232 0 50 GDAA Cc1ccc([C@@H](C(=O)O)N2CCC(N3CCN(CCO)CC3)CC2)cc1F 1506408477 SKZBCXJUYUKBPE-IBGZPJMESA-N 379.476 1.334 0 50 GDAA 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1.626 0 50 GDAA Cc1nnsc1CNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C)c1 97743685 ZKHKBIVEMOYALI-LLVKDONJSA-N 380.495 1.950 0 50 GDAA O=C(NC1CCN(CC2(O)CCCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 131878401 SYXMVCRTDWXESB-UHFFFAOYSA-N 384.480 1.813 0 50 GDAA O=C(NCCc1nnc2n1CCCCC2)N1CCC(OC[C@@H]2CCCO2)CC1 175335800 CWMHRRWHOBSDTD-KRWDZBQOSA-N 391.516 1.917 0 50 GDAA O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NS(=O)(=O)N1CCOCC1 178243478 XRKRMSDDOGXJDA-XFXZXTDPSA-N 398.790 1.979 0 50 GDAA COc1cccc(F)c1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 219270102 AXNDIYRBJPTBDP-QGZVFWFLSA-N 376.432 1.558 0 50 GDAA CN(C)c1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 221754660 MZNBRJVVGVZMRF-QZTJIDSGSA-N 384.480 1.471 0 50 GDAA COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@]5(C)C(=O)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl 239321947 IYKMPUJZXOUTKN-KECVYFHOSA-N 386.058 1.947 0 50 GDAA O=C(NCCc1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccccn2)CC1 252538378 MZQDBQUGUYWFDC-UHFFFAOYSA-N 380.448 1.727 0 50 GDAA COc1cccc([C@@H](C)N(CC(=O)N[C@H]2CCCCNC2=O)c2cnn(C)c2)c1 252667123 CTQJTNYMQPTBCI-BEFAXECRSA-N 399.495 1.781 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)C1 262390467 ILHPORNEMGXLCV-CHWSQXEVSA-N 387.429 1.726 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)c3ccnc(N4CCCC4)n3)C2=O)n(C)n1 266426574 QZTSDJIVSONCCJ-OAHLLOKOSA-N 383.456 1.044 0 50 GDAA CCn1nncc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 292618765 ABFLHJPNXNLPNP-UHFFFAOYSA-N 376.848 1.348 0 50 GDAA CN1CCN(C(=O)c2ccc(-c3noc([C@]4(C)C[C@H]5CC[C@H]4O5)n3)cn2)CC1 350166669 YLRZDYHSHDQHPS-AKCHCHLHSA-N 383.452 1.728 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnnn3C)CC2)c(C)c1 377149790 KIMVRTDRNGOTBH-UHFFFAOYSA-N 391.497 1.149 0 50 GDAA Cc1nc(CCNC(=O)N2CCCN(c3ncccn3)CC2)nc2c1CCC2 426434531 SHUKYVQDSQTAJZ-UHFFFAOYSA-N 381.484 1.528 0 50 GDAA Cc1nc(C)c(C)c(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1 426674285 RITLLLKPJFQDFA-KRWDZBQOSA-N 385.516 1.747 0 50 GDAA COc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(S(C)(=O)=O)c1 490645236 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CCCn1nccc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 1529089582 JTEHYPZQEIPBRY-LNNXQNCSSA-N 393.447 1.609 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)C[C@H]1O 1529189703 VBVMFTJKOGURML-GOEBONIOSA-N 381.523 1.494 0 50 GDAA COc1nc2c(cc1C(=O)N1CCC3(CC1)NCC(C)(C)CNC3=O)CCC2 1775981219 BNXCEVUESOAXPO-UHFFFAOYSA-N 386.496 1.299 0 50 GDAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(C(F)(F)F)cc1C(F)(F)F 1857666797 BFHZLIPDQHYWTK-TUAOUCFPSA-N 387.276 1.965 0 50 GDAA Cc1cnc(C)c(N2CCC3(CC2)CC(=O)N(Cc2noc(C)n2)CCO3)n1 1857693694 IGNIFAPIGDWMMA-UHFFFAOYSA-N 386.456 1.573 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3ccc(F)c(F)c3)CC2=O)s1 1857701047 OHOPEZJHQLLCEV-JTQLQIEISA-N 382.392 1.632 0 50 GDAA Cc1cccc(-c2noc(CCCC(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)n2)c1 1857710828 RLGQVTLFLRSYMH-IERDGZPVSA-N 396.447 1.927 0 50 GDAA Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(C(=O)CCC(C)C)C[C@]23CC[C@H]1O3 1857719686 RFXLRFZLJSGMAL-NRTGNBEESA-N 376.457 1.550 0 50 GDAA 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CCC[C@H]1CN(C(=O)c2csc(O)n2)CCN1C(=O)c1csc(O)n1 329927974 XKYABZAGOJPPTC-VIFPVBQESA-N 382.467 1.778 0 50 GDAA CCc1cc(O)nc(CN2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)n1 478079838 KCXVCZGPCNKAHP-OAHLLOKOSA-N 386.500 1.680 0 50 GDAA CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 363571920 WUDHPMOBPOBJNP-GNVJSZRZSA-N 398.459 1.911 0 50 GDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2 77455824 VPZWHZHVCZRJGF-NTLWEQJWSA-N 394.431 1.053 0 50 GDAA CCn1c(O)nc2cc(C(=O)N3CCSC[C@@H]3CC(=O)O)ccc2c1=O 262553579 VOTFCOUKRIAHCS-NSHDSACASA-N 377.422 1.154 0 50 GDAA Cc1nn(C)cc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 82119968 PUQRWNRAOAZRKP-KRWDZBQOSA-N 387.528 1.668 0 50 GDAA C[C@@H](O)CN1CCC(CN(C)C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1 176447359 SPKBEEHFXMANBK-CYBMUJFWSA-N 375.444 1.832 0 50 GDAA O=C1CN(C(=O)CN2CCC(c3ccnn3CCO)CC2)c2ccccc2N1 195509091 ZOZKFVZECKPWDQ-UHFFFAOYSA-N 383.452 1.040 0 50 GDAA Cc1nc(N2CCCCC2)ncc1C(=O)N1C[C@@H](CO)C[C@H](CN(C)C)C1 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O=C(O)c1cc2n(n1)CCN(C[C@@H]1CN(Cc3ccccc3)CCCO1)C2=O 1940193655 ZTCOMRUDONECPQ-INIZCTEOSA-N 384.436 1.328 0 50 GDAA Cc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)c(O)nc1C 299761131 RZHJITZXSZMVDP-UHFFFAOYSA-N 383.452 1.673 0 50 GDAA CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccc3c(c1)OCCO3)CCO2 824864407 BBSOVIAPMBJXSE-UHFFFAOYSA-N 382.482 1.084 0 50 GDAA CC[C@](C)(O)CN(Cc1ccccc1)C(=O)CCc1c(C)nc2nc[nH]n2c1=O 1875264733 FAENCDKJSJEYGO-NRFANRHFSA-N 397.479 1.848 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 1875370843 FZCGKICVPYPEKT-RDJZCZTQSA-N 397.454 1.940 0 50 GDAA CC(=O)N[C@@H](C(=O)N[C@@H](CNC(=O)c1ccc2c(c1)OCO2)C1CC1)C(C)C 1875344849 PKBNPJKWJXDQTO-MAUKXSAKSA-N 389.452 1.201 0 50 GDAA O=C([C@@H]1[C@H]2COC[C@H]21)N1CC([C@@H](F)Cn2cc(-c3cn4ccccc4n3)nn2)C1 1875353526 WFLVPRZXMMMUIY-QCUYGVNKSA-N 396.426 1.282 0 50 GDAA C=CC(=O)NCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C 1875301432 KFYINVFQWGZMPA-QGZVFWFLSA-N 386.427 1.830 0 50 GDAA CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1C 1875309028 NGNLYJFLKASQRV-HIFRSBDPSA-N 386.452 1.780 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1309956818 ZRPCJBZPKUVMEH-WCQYABFASA-N 383.413 1.817 0 50 GDAA COc1c(C(=O)N2CC[C@]3(NC(=O)[C@@H](C)C(C)(F)F)CCC[C@H]23)cnn1C 1775993386 ZSYWBWFAZLCAGJ-SUFBMKPHSA-N 384.427 1.973 0 50 GDAA COCC(=O)N1CC[C@H](NC(=O)c2cc(C)nc3cc(F)ccc23)[C@@H](O)C1 1565511762 MELGBCSNHOORML-RDJZCZTQSA-N 375.400 1.020 0 50 GDAA COCc1noc(CN2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)n1 187408074 QWHCIXXUZJWDFY-UHFFFAOYSA-N 383.452 1.974 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(Cn4cnnn4)cc3)C1)CC2 1704300572 XVQAALAFBIBEHY-OAQYLSRUSA-N 389.463 1.940 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2CCCCNC2=O)ccc1F 1704304472 SFJVMTPZWIPYJX-CYBMUJFWSA-N 390.415 1.954 0 50 GDAA COCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C 12317325 XNNJFUBWYSPWEG-UHFFFAOYSA-N 387.546 1.960 0 50 GDAA C[C@H]1C(=O)N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@@H]2C(=O)N1C 14744251 CEFRSZHHKWKKPQ-SUMWQHHRSA-N 387.871 1.399 0 50 GDAA NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 16134155 KUPWJYJFQYERCY-UHFFFAOYSA-N 382.310 1.592 0 50 GDAA COCCN1CC[C@@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 150859313 VAHVXNHYCVUEBP-LBPRGKRZSA-N 382.404 1.832 0 50 GDAA NC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(N)n1-c1ccccc1 4746845 OFWXNZBPZSPHMW-UHFFFAOYSA-N 395.444 1.644 0 50 GDAA Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCc2ccccc2)n(C)c1=O 6174408 JRIRCRMAURTFST-UHFFFAOYSA-N 381.480 1.662 0 50 GDAA O=C(c1cccn2cnnc12)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857666890 BJTPGYRWXODCQT-FQEVSTJZSA-N 377.404 1.619 0 50 GDAA COc1cccc2c1OC[C@@H](C(=O)N1C[C@@H]3[C@H](C1)[C@@H]1CC[C@H]3N1CC(=O)O)C2 1857678059 RKFDQYLIJDDKHJ-ZOFXXKQRSA-N 386.448 1.252 0 50 GDAA O=C(/C=C/c1ccccc1)N1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 1857686273 OJZLMAZEHIHRTI-XYXUZSOXSA-N 384.476 1.956 0 50 GDAA Cn1ccn2ncc(C(=O)N3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)c12 1857728011 JKHPABNNDXRHCN-FVJLSDCUSA-N 391.431 1.587 0 50 GDAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1857731827 QDWXKEMIPKEPRA-RCCFBDPRSA-N 387.480 1.217 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@]23CC[C@H]1O3)c1cncc(F)c1 1857734634 XPGSGQYXQZFCNO-XKGFGPFHSA-N 385.439 1.923 0 50 GDAA Cc1nc[nH]c1C(=O)NC[C@H]1[C@H]2CN(C3CCSCC3)C[C@]23CC[C@H]1O3 1857740598 LRLYDSWKTCIXHC-WFXMFSGNSA-N 376.526 1.823 0 50 GDAA CNC[C@H]1CCCN1S(=O)(=O)c1cc(OC)c(OC)cc1Br 237280709 DHMBNCHFKXWQDS-SNVBAGLBSA-N 393.303 1.839 0 50 GDAA CCCN(C)C[C@@H](O)C1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 1875243825 ZCTSALORWAJSJR-LJQANCHMSA-N 396.553 1.792 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nc(C)nn4n3)CC2)c1 225536360 ZAGJOHGWHPAWOU-UHFFFAOYSA-N 386.481 1.560 0 50 GDAA Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)CC3)C2=O)n(C)n1 329509408 MGOGYCPXVQLVST-RMJJICAUSA-N 399.539 1.804 0 50 GDAA C[C@@H]1CNCCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 125339188 NCTQDZBXIDBFNY-LLVKDONJSA-N 382.258 1.385 0 50 GDAA COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)CN2CCCC2=O)c1 253429601 TZPXTFCWGMIJKF-SNVBAGLBSA-N 383.242 1.976 0 50 GDAA O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCc1ccccc1-n1ccnc1 266475602 BNTDHHCTVFUOOL-PSBWJHGTSA-N 394.431 1.041 0 50 GDAA CCOC(=O)c1nnn(-c2nonc2-c2ccccc2)c1CSCCO 4770156 FSKIZFLQMWFPTL-UHFFFAOYSA-N 375.410 1.720 0 50 GDAA Cc1cc(C(=O)N=c2[nH][nH]c3cccc(N(C)C)c23)cc(S(N)(=O)=O)c1C 2100477960 NXHHZQULJQLGER-UHFFFAOYSA-N 387.465 1.567 0 50 GDAA CC[C@@H](NC(=O)c1cn2c(n1)CCN(C1CCOCC1)CC2)c1ccnn1C 2100545180 IPMYREDWVWMOPR-MRXNPFEDSA-N 386.500 1.535 0 50 GDAA O=C(c1cn2c(n1)CCN(Cc1cccc3cc[nH]c13)CC2)N1CC[C@@H](O)C1 2100557137 NSIPQORRMCKCHM-QGZVFWFLSA-N 379.464 1.630 0 50 GDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1 245246433 LRFLYGAWILIZLP-MHORFTMASA-N 396.399 1.607 0 50 GDAA COc1ccnc(NC2CCN(c3ncc(F)c(=NCC(F)F)[nH]3)CC2)n1 2325764515 LQRQFKLWQQGEKP-UHFFFAOYSA-N 383.378 1.594 0 50 GDAA O=C1NC2(CCCC2)CNC(=O)[C@@]2(CC=CCOc3ccccc31)CNCCO2 2325888443 STLHPKJKNRCXGE-JOCHJYFZSA-N 399.491 1.543 0 50 GDAA NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1059564 MWPVDOBHYKSOAI-QGZVFWFLSA-N 387.461 1.188 0 50 GDAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)[C@@H]1CCCO1 2440257 SQRTXCFGIDVKKP-ZDUSSCGKSA-N 397.478 1.435 0 50 GDAA Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(I)cc1 12274292 RIVMIVVKMQTPEP-UHFFFAOYSA-N 398.204 1.653 0 50 GDAA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 13571014 QSXCKSJYFKUQHC-CYBMUJFWSA-N 376.416 1.919 0 50 GDAA biogenic COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCc2cnn(C)c2)CC1 15076050 OIIJTXWXSNANDY-FQEVSTJZSA-N 392.544 1.719 0 50 GDAA COC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 16527086 WZZKORNJSPVAQE-CABCVRRESA-N 384.498 1.555 0 50 GDAA Cc1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)n(-c2ccccc2)n1C 65364647 RYTIRMXABNQKRL-AWEZNQCLSA-N 392.481 1.095 0 50 GDAA O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CCC(c2nnn[nH]2)CC1 67678491 PYPDUYCFJATJLV-UHFFFAOYSA-N 398.379 1.515 0 50 GDAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(N2CCCNCC2)nc1 67726053 LWWRSIDTSTZSLO-KRWDZBQOSA-N 382.464 1.841 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379.460 1.726 0 50 GDAA CCOCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccncn2)c1 95364125 GUBCNHFUAIBPMB-ZDUSSCGKSA-N 378.454 1.282 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)O 95364508 DCJMXTYXSSNYAH-LJQANCHMSA-N 379.420 1.965 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)Cc1ccc(O)c(Cl)c1)CCN2C 95365442 GHYYHHTWNDOFGS-IBGZPJMESA-N 379.888 1.743 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C[C@H]1CCOC(C)(C)C1)CC2 95529193 LLHKKBHFGNXTNK-INIZCTEOSA-N 390.528 1.937 0 50 GDAA Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cnn(-c4ccccc4)c3)C2)cn1 173421146 IVVINBCRHMCWTH-HNNXBMFYSA-N 386.481 1.553 0 50 GDAA CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)C1=O 216278722 SNRNOLYNDITUAA-SJORKVTESA-N 384.480 1.440 0 50 GDAA COc1cccc(S(=O)(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1 243956959 CEVAGDMNZLUWTM-QWQRMKEZSA-N 378.450 1.889 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244715941 LFFXZROXVMDQQA-KNBMTAEXSA-N 378.436 1.537 0 50 GDAA 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CCc1ccc(NC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)cc1 299768545 LBWMDNSIKJMUSR-UHFFFAOYSA-N 377.470 1.542 0 50 GDAA Cc1n[nH]c(C)c1CC(=O)N1CCOC2(CCN(Cc3ccccn3)CC2)C1 827969409 GZZMVZPYERDFKJ-UHFFFAOYSA-N 383.496 1.858 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cc2c(O)nccc2o1 1875398026 XRAWLBFTHRRILC-GOEBONIOSA-N 384.440 1.383 0 50 GDAA CN1CCN(CCN=c2cc(-c3ncccn3)nc[nH]2)[C@@H](c2ccccc2)C1 1875305105 GZLSWENJTUKBQP-LJQANCHMSA-N 375.480 1.756 0 50 GDAA CO[C@H](C(=O)O)C1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 1875305780 IBZYQVTUQIDZIW-IBGZPJMESA-N 376.453 1.416 0 50 GDAA CCOc1ccnc(N2CC3(CN(C)C[C@H]3c3ccnc(N4CCCC4)n3)C2)n1 1875393609 QHBJUBKVGZQLRC-INIZCTEOSA-N 395.511 1.801 0 50 GDAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3(c4nnc[nH]4)CCC3)c2C)n1 276437032 DVQCEQRAVFMGJR-UHFFFAOYSA-N 380.456 1.752 0 50 GDAA CCn1c(=O)n(CC(=O)N2CCC[C@H](N(C)CC(=O)O)CC2)c2ccccc21 186649759 VRUYUHOPNMUPAX-HNNXBMFYSA-N 388.468 1.220 0 50 GDAA Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccc(Cl)cc1F 408513502 PFGRIQUMWRHSNZ-LLVKDONJSA-N 382.779 1.684 0 50 GDAA CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 170671714 VXGVBJGWTKNLIZ-LBPRGKRZSA-N 380.445 1.819 0 50 GDAA Cc1cnc(C(=O)N2CCC(CNC(=O)c3ccc4c(c3)ncn4C)CC2)cn1 1506414727 TVTHPYAYHUXEDT-UHFFFAOYSA-N 392.463 1.954 0 50 GDAA Cc1ccc2nc(CN3CCCN(C(=O)c4cncc(F)c4)CC3)cc(=O)n2c1 1529151795 FDJPWNOYNZICET-UHFFFAOYSA-N 395.438 1.885 0 50 GDAA O=C(c1cc(=O)c2ccccc2o1)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@]2(CO)C1 1772813277 ZAZWYIPCOCUZCP-SPLOXXLWSA-N 394.431 1.083 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)nn1 12752704 XYEYQZRAOUKJPO-INIZCTEOSA-N 387.488 1.428 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](NC(=O)c4ccc[nH]4)C3)cc2)n1 1857683082 BLENIUBBJDNHPD-HZPDHXFCSA-N 393.451 1.676 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N2C[C@H]3COC[C@H]3C2)CC[C@@H]1NC(=O)c1cn[nH]c1 1857690230 XHWGCLJQNKZQBI-JFMONLCZSA-N 390.484 1.208 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cn3ccc(C)n3)CC(=O)N2[C@H]1c1ccccc1 1857730919 CNLUDMZPHXOBLW-ZWOKBUDYSA-N 396.447 1.165 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N(C)C3CCS(=O)(=O)CC3)cn12 2100539445 IUKULQOYFBKVOV-OAHLLOKOSA-N 380.470 1.068 0 50 GDAA CCN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 2325781230 ZIONBVGTFDIGNX-KBPBESRZSA-N 394.269 1.830 0 50 GDAA CS(=O)(=O)C[C@@H](O)CNC(=O)c1[nH]c2ccc(Br)cc2c1F 2325791725 YAMHLRSRHVHNTP-QMMMGPOBSA-N 393.234 1.205 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 2841117 ZHXKKEYKIKDZCE-UHFFFAOYSA-N 380.397 1.872 0 50 GDAA COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cn2ccc(C)n2)C3)nn1 11996504 VXNLENLGUKZYKF-OAHLLOKOSA-N 379.420 1.777 0 50 GDAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CN1CCC2(CC1)OCCO2 12298754 ULTYXYTZMBDNMN-LJQANCHMSA-N 396.434 1.657 0 50 GDAA CC(=O)NCCNCc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 12453885 VMNDUGDKANMFMX-QFIPXVFZSA-N 397.519 1.710 0 50 GDAA CCc1ccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14741094 PJGPYLVLFFTCPL-VQTJNVASSA-N 391.471 1.643 0 50 GDAA CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)CN1CCOC1=O 15073760 LJILAHPGQLEKQI-KRWDZBQOSA-N 377.460 1.991 0 50 GDAA O=C(NCC1(c2ccccc2)CCCC1)c1cn(CCN2CCOCC2)nn1 19745579 OGJYQWIBDFRPPU-UHFFFAOYSA-N 383.496 1.852 0 50 GDAA COc1ccc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)c(OC)c1 19745724 NYWAETYGXXDCCM-IBGZPJMESA-N 377.529 1.667 0 50 GDAA O=C(O)CCCCCN1C(=O)C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1=O 19874757 WHAZJACPHZSOJY-QGZVFWFLSA-N 389.452 1.287 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2CCCN2)CC1 67654701 HUEAJKHAKJREDC-SFHVURJKSA-N 395.507 1.785 0 50 GDAA Cn1cc(/C=C/C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cn1 67974690 YKLQDUNVIUULKI-BQYQJAHWSA-N 378.436 1.714 0 50 GDAA COc1ccccc1CC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71762344 ZTDUVIQHPRRTLQ-UHFFFAOYSA-N 376.416 1.968 0 50 GDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cn2c3c(cccc3c1=O)CC2 72120782 YSWAPPBPNIVUEU-OAHLLOKOSA-N 375.432 1.746 0 50 GDAA CN1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 72424178 MFRDKVOVAQGEHC-MOPGFXCFSA-N 386.473 1.612 0 50 GDAA Cc1ccc2nc(CNC(=O)Cn3c(C)nn(-c4ccccc4)c3=O)cn2c1 77419487 FCUQMPYIDSTNIH-UHFFFAOYSA-N 376.420 1.615 0 50 GDAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CCc3n[nH]c(N)n3)C2)CCC1=O 77438865 DXAAXUXRHNCSOO-IBGZPJMESA-N 376.505 1.597 0 50 GDAA COCCc1noc([C@@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)n1 91475155 YRDBOUINCOEVJP-OAHLLOKOSA-N 397.435 1.375 0 50 GDAA O=C(CN1C(=O)CCNC1=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 95501997 NYDWKHBWJPYPRM-ZDUSSCGKSA-N 386.235 1.835 0 50 GDAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2nc3ccccc3n(C)c2=O)C1 95526363 MSPSBEOEOSBXQU-HNNXBMFYSA-N 395.463 1.796 0 50 GDAA O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccnc(-n2ccnc2)c1 172004766 GAHPJTQJDZYREJ-UHFFFAOYSA-N 399.423 1.262 0 50 GDAA CN1CCCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)CC1 216567016 QPKHYPUOMMUKCI-VWNVYAMZSA-N 399.466 1.272 0 50 GDAA CN(Cc1cnc2ccccc2n1)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 219355282 RULVRWVESJLWNY-FQEVSTJZSA-N 384.436 1.882 0 50 GDAA CN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1cccnc1 219795984 PZGIPHUJNNLJIV-IAGOWNOFSA-N 376.482 1.460 0 50 GDAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1ccccc1)C2 223218505 RKQAJLXCYVZHTH-QGZVFWFLSA-N 387.465 1.044 0 50 GDAA Cc1ccc(C[C@H](C)C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1 225386674 SDIGPLRMWHCIOA-LBPRGKRZSA-N 396.490 1.337 0 50 GDAA Cc1nnnn1-c1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225418446 ZXSSNBPBAKGCBW-CABCVRRESA-N 376.420 1.392 0 50 GDAA biogenic O=C(CSCCN1CCCC1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247409259 PBCIMVDKIZRCCM-JXFKEZNVSA-N 390.505 1.905 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCn1ccnc1 252527763 DHHHIYPKCRGBJT-CQSZACIVSA-N 375.816 1.368 0 50 GDAA CCCCS(=O)(=O)N1CCC(C(=O)NC(CC)(CC)C(=O)OC)CC1 252537276 KWGRDLIKLHUITE-UHFFFAOYSA-N 376.519 1.676 0 50 GDAA O=C1CC2(CCN(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)CN1 267964323 DGVGJYHLMXRREF-CQSZACIVSA-N 390.871 1.757 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc2C[C@@H]1C 275339554 RNHVTQBLQQTBCB-DZGCQCFKSA-N 388.493 1.722 0 50 GDAA COc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)cc1OC 328624774 KFGNDDRTGKQOHJ-NWDGAFQWSA-N 383.426 1.200 0 50 GDAA C[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 363877656 DTBYVKQTSKNLPK-BMFZPTHFSA-N 381.436 1.447 0 50 GDAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCC[C@H](N2CCCCC2=O)C1 370993607 QQJNKSLYBOSPCR-INIZCTEOSA-N 399.495 1.988 0 50 GDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cn2ccsc2n1 670450093 OMAYRTONXKMBTM-BPVAQJAMSA-N 393.516 1.693 0 50 GDAA COc1ccccc1Cc1nc(C2CCN([C@H]3CCS(=O)(=O)C3)CC2)n[nH]1 824821838 DCXXBEFDPOKFMD-INIZCTEOSA-N 390.509 1.771 0 50 GDAA O=C1NCCO[C@H]2CCCN(C(=O)COc3cccc(Br)c3)[C@H]12 830066678 KQDVMVVVOVWTAC-ZFWWWQNUSA-N 383.242 1.334 0 50 GDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)cn1 1336024036 GHBSUOHRZBUYED-HNNXBMFYSA-N 394.884 1.893 0 50 GDAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506401538 JAKXENTUOLTQDO-NSHDSACASA-N 384.454 1.358 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ncc[nH]3)OCC(=O)N2C2CC2)cc1 1529158666 HZBMBGDFZILQFY-MOPGFXCFSA-N 384.436 1.208 0 50 GDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704357320 PWGWJWURFJDKDQ-CZUORRHYSA-N 389.839 1.506 0 50 GDAA Cn1cccc(C(=O)N2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1=O 1772809233 PVMXEKCZPCSYGP-UHFFFAOYSA-N 381.358 1.547 0 50 GDAA Cc1nonc1CC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@]2(CO)C1 1772809805 FZYDBMYOZADTND-KXBFYZLASA-N 390.871 1.527 0 50 GDAA Cn1cc(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)cn1 1857674488 KREMZCIZJYXODE-YXJHDRRASA-N 375.450 1.659 0 50 GDAA O=C(COc1ccccc1)N1CCC[C@]2(C1)CN(c1cnccn1)CC[C@H]2O 1857694198 DTOKBEBRYLUOKX-WIYYLYMNSA-N 382.464 1.735 0 50 GDAA O=C(NCCCO)c1cc2c(s1)CCOC21CCN(C[C@@H]2CCOC2)CC1 1857695200 ZLBHUICSBDHQMZ-HNNXBMFYSA-N 394.537 1.761 0 50 GDAA Cn1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)ccc1=O 1857695584 PTYCPNQGSNJHRZ-OAQYLSRUSA-N 380.448 1.879 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cc4ccccc4o3)[C@H]3CC[C@]2(C1)O3 1857715424 QYIIKKXMWNDFSH-GYQJYAJYSA-N 383.448 1.388 0 50 GDAA COc1cc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)ccn1 1857729531 OWVCZOSLZSDDSD-IKGGRYGDSA-N 385.468 1.446 0 50 GDAA O=C1CC[C@H](N2Cc3cc(Nc4ncc5c(n4)COC5)ccc3C2=O)C(=O)N1 1875290051 NBNUYPVZBAGDOV-HNNXBMFYSA-N 379.376 1.011 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3ocnc3C(=O)OC)C2)C1 1875370857 GNQQRAQKJSGPIO-ZIAGYGMSSA-N 375.425 1.592 0 50 GDAA COc1cc(S(=O)(=O)N2CCC[C@@]23CCCNC3=O)c(OC)cc1Cl 2356139199 OAIVWSCGWKFTMI-MRXNPFEDSA-N 388.873 1.791 0 50 GDAA O=C1NC[C@H]2CN(C(=O)C3CCN(c4nc5ccc(Cl)cc5o4)CC3)C[C@@H]12 2356147694 KGBLWGNEPMNXEL-GXTWGEPZSA-N 388.855 1.902 0 50 GDAA COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc(C(=O)N(C)C)c1C 20294830 HBTOOTNMKMZPAS-QWRGUYRKSA-N 397.497 1.593 0 50 GDAA COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 55253349 YAXREEZYZKNLPX-UHFFFAOYSA-N 397.475 1.892 0 50 GDAA biogenic O=S1(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 22382204 ZSHSJLVSDANWMI-UHFFFAOYSA-N 385.445 1.682 0 50 GDAA C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCN1CCO 249788600 DXIWANUEENWENR-WBVHZDCISA-N 393.915 1.717 0 50 GDAA COCc1nnc(NC(=O)CN2CCCOc3c(cccc3OC)C2)s1 65396234 BFPYOHFGIGZNCW-UHFFFAOYSA-N 378.454 1.916 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1c1ncc[nH]1 328631242 QRDHJPIKRGUPET-GFCCVEGCSA-N 389.403 1.891 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CN1Cc1ccccn1 69405778 BOUYEYZWKKZLIM-OAHLLOKOSA-N 399.882 1.827 0 50 GDAA O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CCC(=O)NC12CCC2 282775588 XFMBUNLXYMHMDC-ZDUSSCGKSA-N 386.420 1.543 0 50 GDAA C[C@@H](CCO)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2ccccn2)C1 39344927 WAQXYPOBEFFYHX-PXNSSMCTSA-N 391.512 1.309 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)n(C)c1 369373665 FBLBNVHVWLANRD-QGZVFWFLSA-N 383.514 1.697 0 50 GDAA CC[C@](C)(CO)NC(=O)C(=O)Nc1ccc2nccnc2c1Br 328596603 HFZXKDUCWKIYDL-OAHLLOKOSA-N 381.230 1.608 0 50 GDAA O=C(CCc1nc2ccccc2[nH]1)N1CCc2c(ncnc2N2CCOCC2)C1 71755309 LKJQOERKKUTXSU-UHFFFAOYSA-N 392.463 1.707 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)CC1=O 262909972 CLZSJICKHBTVPT-YGRLFVJLSA-N 382.800 1.014 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 71754669 HYCZNHNJGXFGME-QGZVFWFLSA-N 388.512 1.370 0 50 GDAA CN1CCCN(C(=O)C[C@H]2COCCN2C(=O)NCCc2ccccc2)CC1 72448198 AERINOGKXMAMKJ-IBGZPJMESA-N 388.512 1.194 0 50 GDAA O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(N2CCCC2=O)cc1 219788253 UBJXNQGYUUNGEK-UHFFFAOYSA-N 376.420 1.783 0 50 GDAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)nc2ccccn12 129446700 KPABBQHEXWGNRQ-SNVBAGLBSA-N 396.860 1.539 0 50 GDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1 43040723 HAPYRKZIGRQMSP-MRXNPFEDSA-N 376.457 1.557 0 50 GDAA CC(=O)c1cn([C@@H](C)C(=O)N2CCN(Cc3nc[nH]n3)CC2)c2ccccc12 426503976 JAGBUTOYKNFGDD-AWEZNQCLSA-N 380.452 1.867 0 50 GDAA CC(C)(O)c1cn(C2CCN(C(=O)c3cccc(N4CCOCC4)c3)CC2)nn1 48170823 BKNQPHKHMSQPJD-UHFFFAOYSA-N 399.495 1.819 0 50 GDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 226649402 ZXGJIDNLCANPNJ-WOYCLPQFSA-N 399.399 1.569 0 50 GDAA CCc1cccc(OCCN(C)C(=O)CN2CC3(CCNCC3)OC2=O)c1 96164144 SCRZUUDLOWDAIZ-UHFFFAOYSA-N 375.469 1.661 0 50 GDAA CC[C@H](C(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1)n1cccn1 95371171 VKKQEKVKDQBKRZ-MRXNPFEDSA-N 397.483 1.487 0 50 GDAA CCc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c(=O)[nH]1 95374854 BXQARIGIHCAOKQ-JKSUJKDBSA-N 386.496 1.433 0 50 GDAA CN(C)CCn1ccnc1C1CCN(C(=O)COC[C@H]2CCCCO2)CC1 95518779 IETUOGVVOAULEV-GOSISDBHSA-N 378.517 1.736 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3cn4ccsc4n3)cc2C1 91644877 UHPRGKJOUOOLIU-UHFFFAOYSA-N 387.469 1.410 0 50 GDAA COC(=O)c1cn(-c2ccc([C@H](O)CN3CCCCC3)cc2)cc2c(=O)[nH]nc1-2 253412536 RHFCTGNSJDRIOE-GOSISDBHSA-N 396.447 1.971 0 50 GDAA COCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3csc(C)n3)[C@H]2C1 534660456 SEBSXPPNBGLASJ-QIIPPGSGSA-N 381.498 1.295 0 50 GDAA O=C(Nc1cccc(-n2cccn2)c1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 827758314 QZWKWFHKNCHVCH-SFHVURJKSA-N 388.493 1.710 0 50 GDAA 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COc1cc(F)ccc1C(=O)N[C@@H]1CN(c2nccnc2OC)CC[C@@H]1O 1857668546 ZGGFOSSWTRIHSK-KGLIPLIRSA-N 376.388 1.003 0 50 GDAA CCn1cc(-n2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)cn1 1857696165 PTRLWKXMYMHRBF-UHFFFAOYSA-N 381.436 1.993 0 50 GDAA CC(=O)NCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857697291 NQFGIDQLLWPQAA-FQEVSTJZSA-N 381.436 1.187 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)c3c(F)ccc(C)c3Cl)CCO2)n1 1857718948 BHVODBSJGPWULS-GFCCVEGCSA-N 383.811 1.634 0 50 GDAA O=C(Cc1cccc(O)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857735651 FIYNKPBVSOQNSJ-UNMCSNQZSA-N 397.475 1.631 0 50 GDAA N#Cc1cccc(N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)n1 216681683 NICCKZKWTVPFSB-PMACEKPBSA-N 381.455 1.854 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@@H]2CCCNC2)c1 237433902 FBKYKSQDURHLQO-NSHDSACASA-N 380.919 1.412 0 50 GDAA Cc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 247960346 QIYVSUKRDZQMJK-CVEARBPZSA-N 381.498 1.103 0 50 GDAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCNC(=O)CC2)cc1 20638002 NUJSDGPIWPDAHD-NRFANRHFSA-N 397.519 1.880 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1Cl 1704303434 YBNIGYAVUIFFLB-JKSUJKDBSA-N 389.901 1.704 0 50 GDAA O=C1CCN(CC(=O)OCc2ccccc2I)C(=O)N1 906349027 BBAXIRKATQPYAY-UHFFFAOYSA-N 388.161 1.276 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CC2 933881701 PDEDMAWWVDADMK-UHFFFAOYSA-N 395.385 1.459 0 50 GDAA CCn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)[C@@H](C)C2)c(-c2cnn(C)c2)n1 2325786614 HLKBEPRUOFREMX-QWHCGFSZSA-N 379.486 1.247 0 50 GDAA CNC(=O)c1cccc(CCC(=O)N2CC(N3CCN(C(C)(C)C)CC3)C2)c1 2325810424 KQCZLTDZEQUDGT-UHFFFAOYSA-N 386.540 1.606 0 50 GDAA O=C1CC[C@@H](N2Cc3c(C(=O)N4Cc5ccccc5C4)cccc3C2=O)C(=O)N1 2325886927 ONXWURARYUHQPG-GOSISDBHSA-N 389.411 1.604 0 50 GDAA COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1OC 802548 UDMYDFSWNLGOOT-UHFFFAOYSA-N 379.438 1.036 0 50 GDAA COc1ccccc1CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 2891024 FUGVPPFELZHOCN-UHFFFAOYSA-N 392.433 1.506 0 50 GDAA CN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 4487986 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CNC[C@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 237321706 SYPVOZCFWLCMCI-SNVBAGLBSA-N 393.303 1.696 0 50 GDAA Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1C(=O)O 237705859 AKGRECCBEZWYDS-KRWDZBQOSA-N 377.466 1.839 0 50 GDAA Cn1cccc(C(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)c1=O 244817178 SVOQUZDVRFYRRF-UHFFFAOYSA-N 377.404 1.073 0 50 GDAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 248239344 DIFPCAWLFNTXID-RDJZCZTQSA-N 377.510 1.837 0 50 GDAA O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 262553813 XTHWUOMRHODMDO-LBPRGKRZSA-N 384.479 1.636 0 50 GDAA COc1cc(NC(=O)N2C[C@H](C3CC3)O[C@H](C)C2)ccc1S(=O)(=O)N(C)C 279480460 OGWTZUAKHOTHAM-MLGOLLRUSA-N 397.497 1.977 0 50 GDAA CC(C)COc1ncccc1C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 286287627 MHIGTBPOITWGHS-HNNXBMFYSA-N 383.514 1.860 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 299741432 FWNMQRAZEWQYAK-SNVBAGLBSA-N 397.225 1.498 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 328629282 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GDAA Cc1ccnc(-n2nc(Cc3cccs3)nc2CCNS(C)(=O)=O)c1 97480520 AWKYTQUOJBJXMD-UHFFFAOYSA-N 377.495 1.715 0 50 GDAA CCNC(=O)CN1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1 97505733 XOFYFUSKJSJKEX-UHFFFAOYSA-N 381.480 1.526 0 50 GDAA CC(C)(C)NS(=O)(=O)c1ccccc1-c1nccc(N2CC[C@@H](O)C2)n1 97575011 ZVPBZSMBRCMTHW-CYBMUJFWSA-N 376.482 1.791 0 50 GDAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCC(=O)NC3=O)c12 152113720 WWNSNQJHBZRGIN-CYBMUJFWSA-N 383.452 1.907 0 50 GDAA Cc1oc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1S(=O)(=O)N(C)C 176587568 IQJWHTAEEDVCSC-UHFFFAOYSA-N 389.437 1.349 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccccn3)C2=O)cc1OC 206241978 UHPSICXNKARGJT-OAHLLOKOSA-N 398.419 1.226 0 50 GDAA Cn1nc(C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)ccc1=O 215837655 LEDRZLWVNGRGGQ-UHFFFAOYSA-N 378.388 1.747 0 50 GDAA COC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccno3)c2)C1 216045916 WRMRRWYMZIOYRX-CYBMUJFWSA-N 379.438 1.262 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc(F)cc1)C2 219924687 MXBDGCJXQOKEEA-FQEVSTJZSA-N 383.427 1.812 0 50 GDAA O=S(=O)(c1ccc(-c2ccon2)s1)N1CCCn2nc(CO)cc2C1 219925022 RLSCXNOPEZUNAR-UHFFFAOYSA-N 380.451 1.687 0 50 GDAA CC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(OC)c(Cn3cncn3)c1)C2 222263326 UCQGKDIATDFEDQ-LJQANCHMSA-N 382.468 1.991 0 50 GDAA CCC(CC)[C@@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)N1CCOCC1 225432585 TVRXYAIZCVQEIX-YTQUADARSA-N 378.517 1.751 0 50 GDAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(Cl)c3c(c2)OCO3)cn1 225467258 OXJFKCLQPWKGKV-YMXBGEKHSA-N 381.841 1.748 0 50 GDAA COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(N)=O)[C@@H]2C1=O 248139658 PJXCUKSERKJXGK-WJFTUGDTSA-N 389.411 1.696 0 50 GDAA CCn1cnc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc21 264671732 UMCRIOCGAVYTGI-UHFFFAOYSA-N 383.431 1.746 0 50 GDAA CC(C)N1CCN(S(=O)(=O)c2ccc(C(=O)O)c(C(F)(F)F)c2)CC1=O 289943520 OODJVSQZMBDPNN-UHFFFAOYSA-N 394.371 1.645 0 50 GDAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)[C@H]2COCCN2CC2CCC2)C1 329496401 IZMCSOBGQQIXIT-ZWKOTPCHSA-N 388.512 1.628 0 50 GDAA CN1C(=O)C[C@H](C(=O)NCc2ccc(OC3CCCC3)nc2)[C@@H]1c1ccnn1C 366311739 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376.468 1.341 0 50 GDAA O=C(N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)O)[C@H]1CCn2c(Br)cnc2C1 2325828684 ODQXAJYWWLWSJW-RBJSCRSMSA-N 380.242 1.433 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)C3=COCCO3)C2)n2ccnc21)c1ccc(F)cc1 2332238046 WTKVDZWETISSMQ-HNNXBMFYSA-N 398.394 1.323 0 50 GDAA O=C(Nc1ccc(C(=O)N[C@@H]2c3cccc(O)c3C[C@H]2C(=O)O)cn1)NC1CC1 2332239311 GOCJXWMVGSTUHD-RHSMWYFYSA-N 396.403 1.799 0 50 GDAA O=C([C@H]1CCc2ncnn2C1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356169876 KFXPJRQZNYWQSI-INIZCTEOSA-N 377.452 1.108 0 50 GDAA COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 806090 FGOPEDYZHWRFOR-UHFFFAOYSA-N 382.482 1.732 0 50 GDAA CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc1 1146853 ODHZHUVEHIIDQS-UHFFFAOYSA-N 396.355 1.935 0 50 GDAA COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)CC2)cc1 2356142931 NYYUHLRMRXANSO-HKUYNNGSSA-N 375.465 1.620 0 50 GDAA CCc1cc(N2CCC3(CC2)C[C@](C)(O)CCO3)nc(N2CCOCC2)n1 2356159152 OFFDDTZUGNPJEB-LJQANCHMSA-N 376.501 1.776 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10233815 MKUFVDAAVLILJK-UHFFFAOYSA-N 383.452 1.702 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCN(C3CCCC3)CC2)n1C[C@@H]1CCCO1 20203687 RDZGWOWYVJODEF-SFHVURJKSA-N 396.557 1.526 0 50 GDAA Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 67540175 JHSDKALXXMZNGV-LJQANCHMSA-N 386.540 1.925 0 50 GDAA CCc1ccc(C(=O)NC(C)(C)c2cn([C@H]3CN[C@H](C(=O)NC)C3)nn2)cc1 67850464 FXROAQKVIXFVOM-CVEARBPZSA-N 384.484 1.155 0 50 GDAA O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(C(F)(F)F)c1 36122874 STYOSJDOROUUNV-HNNXBMFYSA-N 385.386 1.967 0 50 GDAA Cn1ncc(Br)c1C(=O)Nn1c(S)nc2ccccc2c1=O 2790359 PYDUQRUNSZSWTG-UHFFFAOYSA-N 380.227 1.565 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)cc2F)cn1 328617855 DDAGVQIQDVKEON-INIZCTEOSA-N 383.420 1.722 0 50 GDAA Cc1noc(CN2CCN(C(=O)[C@H]3CCC(=O)N(C)[C@H]3c3ccccc3)CC2)n1 329249658 TWVOLYXAKJPICY-PXNSSMCTSA-N 397.479 1.632 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)N[C@@H]3CCOC[C@H]3OC)CC2)c1 219833906 KXLPFGVVTJPFLH-QZTJIDSGSA-N 376.453 1.468 0 50 GDAA O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1)N1CCOCC1 253369292 ARRVTYCAEZIPNU-JQHSSLGASA-N 378.494 1.867 0 50 GDAA CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)C1 363540344 VNRUOJAQCHVVFA-RTWAWAEBSA-N 398.551 1.459 0 50 GDAA O=C(c1nc[nH]n1)N1CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 72410811 QWSVFYIWBKGDAG-UHFFFAOYSA-N 377.408 1.899 0 50 GDAA CC[C@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C 242324469 ZBMYHWWWIPYQAF-LSDHHAIUSA-N 379.505 1.929 0 50 GDAA O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 333337816 XJTDBCCOBIMLIB-VQTJNVASSA-N 382.508 1.926 0 50 GDAA O=C(O)[C@H]1[C@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C21OCCO1 216020161 WISKRSLFACBKHS-YNXIZAIDSA-N 377.991 1.803 0 50 GDAA NC(=O)[C@]1(O)CCCN(C(=O)NCc2ccc(COc3ccccc3)cc2)C1 375500164 ZVLZQQPWPSGRJZ-NRFANRHFSA-N 383.448 1.787 0 50 GDAA NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2F)cc1 13949056 QMHRWHGGDVQKNV-UHFFFAOYSA-N 376.406 1.133 0 50 GDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccccc2C)[C@H](CCO)C1 43056845 ZSAXBMSKQBGDSF-LJQANCHMSA-N 386.496 1.964 0 50 GDAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](O)C(C)C)CC3)no1 77469880 OYRTYCFJGONYQN-KRWDZBQOSA-N 393.465 1.685 0 50 GDAA Cc1n[nH]c(C)c1CC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 287232755 JFMSWBWTXHXTPV-FQEVSTJZSA-N 381.524 1.988 0 50 GDAA O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCOCC1 44918689 LRZDONXNDAGYAH-UHFFFAOYSA-N 388.493 1.584 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1cc(F)ccc1OC)C2 82147294 WWZFGINIKSJTCN-UHFFFAOYSA-N 376.432 1.699 0 50 GDAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC(O)C3)c2)c(C)c1 95388886 PIMCXJXAOSSRQF-UHFFFAOYSA-N 376.434 1.621 0 50 GDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95386824 PSACLZPBZORYBV-QVKFZJNVSA-N 382.416 1.705 0 50 GDAA Cc1cc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)c2ncccc2c1 97675347 GZPJFFSOUSDLPN-KSSFIOAISA-N 375.450 1.180 0 50 GDAA CCCn1cc(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cn1 181081261 ANWXITFKVHVAHE-SFHVURJKSA-N 383.496 1.920 0 50 GDAA Cc1cccc(CN2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)[C@@H](C)C2=O)c1 95522514 ICDBQWMRFJZZAM-AWEZNQCLSA-N 387.436 1.312 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC(=O)NCc1ccco1)CC2 95353131 CNCSNRLFJGGIEB-UHFFFAOYSA-N 398.467 1.022 0 50 GDAA COc1ccc(-c2c(C)nn(C)c2NC(=O)NCCNS(C)(=O)=O)cc1 96180045 AOXNLGGQQREMSI-UHFFFAOYSA-N 381.458 1.075 0 50 GDAA CCN(C)c1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)ncn1 95520916 SPNJPURAEXOPJJ-UHFFFAOYSA-N 399.499 1.183 0 50 GDAA COC(=O)[C@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)C(C)C 252570808 XHKPFAKMWPULQY-QGZVFWFLSA-N 377.828 1.878 0 50 GDAA O=C(NCCn1cccn1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 253396037 ATLDSOXBPAEQOE-UHFFFAOYSA-N 382.873 1.897 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)c3cscn3)C[C@@H]1N(Cc1noc(C)n1)CC2 534646689 ICUPYARGFWEFGJ-HACGYAERSA-N 377.470 1.777 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1cncs1)CC2 534636968 YHYXDNWOCKSWCC-UWWQBHOKSA-N 375.498 1.668 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)OCCO4)[C@H](O)C2)cs1 299764446 WJLMNSLHOUHEAD-HZPDHXFCSA-N 389.477 1.588 0 50 GDAA C[C@H](O)[C@@H]1CCN(c2cc(N3CCC(c4nc(N(C)C)no4)CC3)ncn2)C1 1875273558 KFHAUGWIHJFCSC-DZGCQCFKSA-N 387.488 1.517 0 50 GDAA Cc1ccc(Cl)c(OC[C@@H](O)CNCCO[C@H]2CCS(=O)(=O)C2)c1 1875282218 RUINNJVYLLFZOG-KBPBESRZSA-N 377.890 1.181 0 50 GDAA CCOCCn1nc(CCCN(C)C)nc1-c1nnn([C@@H]2CCOC2)c1C 1875335736 FILDMDLDWGWPGH-OAHLLOKOSA-N 377.493 1.337 0 50 GDAA CCc1cncc(S(=O)(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875399299 VLLYMEMBIGQYEX-APHBMKBZSA-N 384.889 1.612 0 50 GDAA C[C@H]1COCC[C@H]1Nc1ncncc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 1875356220 LAJSZPSPLSBRES-WMLDXEAASA-N 399.499 1.451 0 50 GDAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 952963154 HWXBSKKINNAZJT-OAHLLOKOSA-N 388.511 1.112 0 50 GDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(CC(C)C)[C@@H](CCO)C1 952985912 IQIZFBXIHKSPCX-KRWDZBQOSA-N 386.562 1.794 0 50 GDAA COCCn1cnnc1CN(C)S(=O)(=O)c1cc(-c2ccno2)cs1 952965805 GOQLLVOYIWZSEF-UHFFFAOYSA-N 383.455 1.462 0 50 GDAA Cc1ccc(OCC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cc1C 1565515018 NMDJTYPVYGDMFT-ROUUACIJSA-N 375.494 1.890 0 50 GDAA Cn1c(O)ncc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1=O 1565511932 XNKZJQZOKBGTGV-AEFFLSMTSA-N 382.464 1.151 0 50 GDAA COc1ccccc1-n1cc(C(=O)Nc2csc3nc(=O)c(C)nn23)cn1 1529172048 DVYSPRXEBPDOKG-UHFFFAOYSA-N 382.405 1.906 0 50 GDAA Cc1ccc(F)c(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1Cl 1615936515 OPTHKEYFMSJSQA-PWSUYJOCSA-N 378.853 1.112 0 50 GDAA CCOC(=O)N1CC[C@H](N2CCCN(C(=O)Cn3cc4ccccc4n3)CC2)C1 1772813011 SSFUDWYFQXIXGU-SFHVURJKSA-N 399.495 1.801 0 50 GDAA CC1=C(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)OCCO1 14981485 HKDWIEPBMQCXHR-CYBMUJFWSA-N 386.495 1.543 0 50 GDAA Cc1nc(C)c(CC(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)c(O)n1 1857725713 JJQCKTFQNQFEQY-NQIIRXRSSA-N 385.464 1.156 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)o1 1857729128 KDEXSUXNDHEEKR-OPYAIIAOSA-N 380.400 1.863 0 50 GDAA CN1C(=O)C[C@@H](CNc2ncnc3c2cnn3C(C)(C)C)[C@@H]1c1cnn(C)c1 328611649 MGNIUHRYGQGSOY-BLLLJJGKSA-N 382.472 1.946 0 50 GDAA CNC(=O)[C@H](NC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 245402155 HBUWZDXRFLAKEJ-UYAOXDASSA-N 385.439 1.803 0 50 GDAA COc1ccc([C@H](CC(=O)O)NC(=O)CN2CCCCCC2=O)cc1OC 262352408 GEFIAEZIGSVTJK-AWEZNQCLSA-N 378.425 1.738 0 50 GDAA CCCn1nc(C)c(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1C 159854674 PGRAICCKFSHPBA-UHFFFAOYSA-N 377.514 1.811 0 50 GDAA Cc1nc(Cl)cc(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 265231054 BUWKWOBREBWGBI-UHFFFAOYSA-N 395.916 1.987 0 50 GDAA CCc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)nn1C 817354090 GECQZIAXDXCXBH-UHFFFAOYSA-N 386.861 1.805 0 50 GDAA O=C(CN[C@H]1CCc2ccccc2OC1)Nc1cc(-n2cnnn2)ccc1F 801571139 MWWDVVAIOFYPEH-AWEZNQCLSA-N 382.399 1.723 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4ncccn4n3)C1)CC2 1704313473 NYPXZLVBUJFDME-HXUWFJFHSA-N 377.452 1.706 0 50 GDAA O=C1NCC2(CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)Oc2ccccc21 928110254 FCIYYWPHVWPBKD-AWEZNQCLSA-N 381.436 1.024 0 50 GDAA Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cc(Cl)n1 832190941 HGHHLQLFOPEEDX-FZMZJTMJSA-N 390.875 1.108 0 50 GDAA CCN1C(=O)C[C@H](C(=O)NS(=O)(=O)CC(C)(C)C)[C@H]1c1cnn(C)c1C 850836303 NHJUTEHGLYHXNP-WFASDCNBSA-N 384.502 1.130 0 50 GDAA O=C(O)[C@]1(CCCc2ccccc2)CN(CC2COCCOC2)CC[C@H]1O 2100482829 BKDDEXUJDDQRTR-TZIWHRDSSA-N 377.481 1.810 0 50 GDAA NC[C@@]1(CNC(=O)C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)CC12CCC2 2325778331 SJFKZNNTVSRUGA-LHSJRXKWSA-N 389.471 1.873 0 50 GDAA Cc1nc2n(c1C(=O)N1CCN([C@@H](C(N)=O)c3ccccc3)CC1)CCCC2 2325804471 RKVWOWVMRGRKLX-LJQANCHMSA-N 381.480 1.512 0 50 GDAA C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](NC(=O)c3n[nH]c4c3CCC4)c3nccn32)C1 2332237799 MDLLKRNJKQDAPG-KYOSRNDESA-N 380.452 1.163 0 50 GDAA C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCCc2occc2C1)C1CC1 2332237980 SNIQJVSWOHQTLX-DAXOMENPSA-N 394.493 1.130 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)n1 637902 NZEJVCFKXVKWJN-UHFFFAOYSA-N 378.436 1.479 0 50 GDAA COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC 780936 RQGAWTDUNXZZLP-UHFFFAOYSA-N 385.399 1.855 0 50 GDAA CCOC(=O)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 2789984 PNARDUCPYQGNAW-UHFFFAOYSA-N 381.230 1.907 0 50 GDAA C=CC(=O)OCCOCC(CC)(COCCOC)COCCOC(=O)C=C 4975826 SBOXDRICSJHEBA-UHFFFAOYSA-N 388.457 1.537 0 50 GDAA Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCCO 10233348 YBEIJHMINNSSAM-UHFFFAOYSA-N 385.399 1.028 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)cc1 12207986 IZWZAHQHEPFNCW-SFHVURJKSA-N 386.452 1.422 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ncccc1C 12448697 QKGPACLYYZLSBN-LJQANCHMSA-N 396.491 1.796 0 50 GDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1)C(C)C 12578278 SEBDOCSEBRMNLF-GOSISDBHSA-N 391.512 1.578 0 50 GDAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14532963 SFXKVVOLECTCMV-GLQYFDAESA-N 376.844 1.744 0 50 GDAA CN1CCCN(C(=O)c2cn(CCNC(=O)CCC3CCCC3)nn2)CC1 14981839 GJMPLJGDWHCEJO-UHFFFAOYSA-N 376.505 1.142 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1cn2c(n1)SCC2 15075645 XHPAAAYUHLSNTJ-AWEZNQCLSA-N 391.522 1.057 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(C)CC2)c1OC 23158917 SPLQBQPJILBANU-QGZVFWFLSA-N 389.496 1.653 0 50 GDAA Cn1cc(CCC(=O)N2CCC[C@H](Cn3cc(-c4cccnc4)nn3)C2)cn1 48441285 KMPPERHJAMRZSM-KRWDZBQOSA-N 379.468 1.945 0 50 GDAA Cc1cc(NC(=O)Cn2cc(-c3cc4c(cc3C(N)=O)OCO4)cn2)n(C)n1 63857123 SUJULQKVWJSNPT-UHFFFAOYSA-N 382.380 1.058 0 50 GDAA O=S(=O)(NCCNc1cc(-n2cccn2)ncn1)c1ccc(Cl)cc1 65364314 UFDDJIJNSJVDQG-UHFFFAOYSA-N 378.845 1.706 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(Cn3c(C)nc4ccccc43)nn2)CN1 67947524 SFHBTYWKGMBRFZ-AEFFLSMTSA-N 381.484 1.756 0 50 GDAA Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)O)CN(C(=O)c3cccc(O)c3)C2)cn1 72140521 IOAVVJCKXPHCPV-CABCVRRESA-N 383.404 1.897 0 50 GDAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCO[C@]2(CNCCOC2)C1 72168911 WRUZQLGZCAKRTB-GOSISDBHSA-N 376.844 1.357 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CCN[C@H](c2ccccc2)C1 77470897 UHBYLHASILMQRD-IBGZPJMESA-N 377.448 1.516 0 50 GDAA O=C1CC[C@@]2(CCCN(c3ncnc4[nH]cnc34)C2)CN1CCc1c[nH]cn1 91381179 WRAZBDFMYQRQOH-IBGZPJMESA-N 380.456 1.528 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNc3nnnn3-c3ccccc3)cc2C1 91943972 BTXGWENKUZTTPT-UHFFFAOYSA-N 381.444 1.358 0 50 GDAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2 95351736 REUAVQCOHSRIGS-GOSISDBHSA-N 393.443 1.912 0 50 GDAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)C2 95375481 YFRXIYUJPQKNJL-CMPLNLGQSA-N 384.263 1.802 0 50 GDAA O=C(C1CCC1)N1CCN(C(=O)CCc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 95521850 DBCCNBYXEFEWBG-JKSUJKDBSA-N 396.534 1.317 0 50 GDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)N2CCN(C)CC2)C3)c1 96136524 DUCBPAYAWFZPJA-HNNXBMFYSA-N 383.496 1.606 0 50 GDAA O=C(N[C@H]1CCc2ncnn2C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 112663675 PJNVENMOHRBARL-INIZCTEOSA-N 397.460 1.824 0 50 GDAA CCCC(=O)N[C@@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 176604076 NSQRKNUOONMFEV-OAHLLOKOSA-N 380.514 1.655 0 50 GDAA CC(=O)N1CCN(Cc2ccc(NC(=O)c3cnn4ccc(C)nc34)cc2)CC1 182561380 MBGILQVGXUYHCC-UHFFFAOYSA-N 392.463 1.954 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NC3CCCC3)C2=O)cc1OC 206232888 GMNDQQGIDYDBKQ-OAHLLOKOSA-N 389.452 1.963 0 50 GDAA O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 214830269 RMQHKDXEUKMORR-SFTDATJTSA-N 387.524 1.709 0 50 GDAA Cc1cccc(=O)n1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 219826943 YRCAQCIGKWNPRV-HZPDHXFCSA-N 377.466 1.494 0 50 GDAA Cc1nc(CNC(=O)COc2ccc(-n3cnnn3)cc2)nc2c1CCCC2 223367479 QJVPRVNTUOIKNG-UHFFFAOYSA-N 379.424 1.335 0 50 GDAA Cc1nc(NCc2ccc(S(=O)(=O)N(C)C)cc2)cc([C@H]2C[C@@H](O)C2)n1 244893994 YXWHUTQUKOQSJA-GASCZTMLSA-N 376.482 1.886 0 50 GDAA CCc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 252445417 SSMPLKSCGDMPBV-JKSUJKDBSA-N 387.523 1.606 0 50 GDAA C[C@@H](NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)c1ccc(-n2cncn2)cc1 252675534 UHLRUKJYBVDCJM-BMFZPTHFSA-N 380.456 1.792 0 50 GDAA O=C([C@H]1CCCN(c2ncccn2)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253404823 HZJCZNKSQCMUHC-IKGGRYGDSA-N 379.464 1.501 0 50 GDAA biogenic CN1CCO[C@@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1 253420534 XXLOABDPJOXDNN-HUUCEWRRSA-N 394.821 1.965 0 50 GDAA CC(=O)Nc1cc(C)c(S(=O)(=O)NCCC(=O)O)cc1Br 262406598 KWIDRONSGSKBQO-UHFFFAOYSA-N 379.232 1.469 0 50 GDAA COc1ccc([C@H]2Cn3nnc(C(=O)NCCCN4CCCC4=O)c3CO2)cc1 263618358 SOOHHJWKIONTLA-QGZVFWFLSA-N 399.451 1.301 0 50 GDAA C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275541799 MSEOEMBDSMEZBD-YVLXSGLVSA-N 381.278 1.377 0 50 GDAA CCCn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3CN3CCOCC3)C2)cn1 286680202 ZJVJIECLMAVPKU-MRXNPFEDSA-N 386.500 1.868 0 50 GDAA Cc1cc(N2CCC[C@@H](N(Cc3nccs3)S(C)(=O)=O)C2=O)n(C)n1 328614442 WCLGHQVIGXNTKI-GFCCVEGCSA-N 383.499 1.142 0 50 GDAA CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 366498655 UHLUEJFXQXTYCD-NHYWBVRUSA-N 398.389 1.357 0 50 GDAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1 373855959 RDKXCIUQCRVTDL-UHFFFAOYSA-N 388.511 1.374 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cn2c(O)nc3ccccc32)C1 374837567 JDGSRWCBPXAQJN-CYBMUJFWSA-N 382.424 1.830 0 50 GDAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnc2c(O)cccn2c1=O 426379755 NTTCPKKURLDFOI-UHFFFAOYSA-N 377.360 1.722 0 50 GDAA CCc1nc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)ncc1C 426712780 PYSHHRCMLMZYQQ-INIZCTEOSA-N 385.516 1.692 0 50 GDAA Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4cnccn4)CC3)CC2=O)cc1 584890403 NQKRIYAGNVTXPT-MRXNPFEDSA-N 380.452 1.422 0 50 GDAA Cc1cc(Cl)ccc1-n1nc(CC(N)=O)nc1C[C@@H](C)N1CCOCC1 826841966 FPDQULLZENAKEP-CYBMUJFWSA-N 377.876 1.520 0 50 GDAA CN(CC1CC1)C(=O)C1CC2(C1)C[C@@H](NC(=O)C=C1CCC1)CCS2(=O)=O 952883691 YVDKJLCNDHZCBT-GNZRSQJKSA-N 394.537 1.807 0 50 GDAA O=C(NCC1CCN(C(=O)CN2CCc3ccccc3C2)CC1)[C@@H]1CCOC1 952965364 CZZJJCGSALFQSJ-HXUWFJFHSA-N 385.508 1.436 0 50 GDAA CSc1ncc(CN[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cn1 952972217 FYJAZNUUKYCRBJ-MOMVYJMYSA-N 381.549 1.856 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)C1 1506423582 IZLWBWBFYIWGNG-HNNXBMFYSA-N 393.513 1.512 0 50 GDAA CCOC(=O)N1CCC(N2CCCN(C(=O)CCn3cccn3)CC2)CC1 1775982591 LSBIZQYNHHEGDB-UHFFFAOYSA-N 377.489 1.428 0 50 GDAA Cc1nsnc1C(=O)N1CCC[C@]2(C1)CN(C1CCOCC1)CC[C@H]2O 1857692850 XCQMPGYRQSSQDD-CRAIPNDOSA-N 380.514 1.315 0 50 GDAA O=C(C1CC=CC1)N1C[C@@H]2COC[C@]2(C(=O)NCCOc2ccccc2F)C1 1857693687 HNQCKYFNDMICLT-IIBYNOLFSA-N 388.439 1.762 0 50 GDAA CCCc1nc(CN(C)C(=O)[C@H]2CC(=O)N(c3nnc(COC)s3)C2)no1 1857721335 KLTNJXJVYCAMJO-JTQLQIEISA-N 394.457 1.032 0 50 GDAA Cc1nc(-c2cn3c(n2)CCNCC3)n(-c2cc(=O)n(C)c3ccccc23)n1 1857727138 LVRZZMKHZOOZRV-UHFFFAOYSA-N 375.436 1.437 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cc[nH]n2)C[C@H]1NC(=O)c1ccccn1 1875244141 AFPQKAJNSDDRPH-KFKAGJAMSA-N 399.495 1.857 0 50 GDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350569 RVOSBJMRTJECRH-VXGBXAGGSA-N 382.424 1.288 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N=[S@@]2(=O)CCCC3(C2)OCCO3)cc1 1875370178 FDVQFACTKQQZBA-AREMUKBSSA-N 378.450 1.634 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1ccc(-n2ccnc2)nc1 1875397488 BTYSGOMXPOTNMZ-DLBZAZTESA-N 394.483 1.117 0 50 GDAA CN1CCc2[nH]c3ccc(C(=O)N[C@@H]4CC(=O)N(c5cnn(C)c5)C4)cc3c2C1 2325774484 MEKOIEKRAMOGDJ-CQSZACIVSA-N 392.463 1.425 0 50 GDAA CNc1ccc(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325896294 VSYDVALPYCTFJW-KRWDZBQOSA-N 392.415 1.742 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)c3ccc(-c4cncc(N)n4)cc3)CC2)C1=O 2356143931 CUEBWXRCZHSHRZ-UHFFFAOYSA-N 394.435 1.224 0 50 GDAA COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908002 QODNQBFOMSNFBF-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA CCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NC)n1 2802441 WZMCQXJILPTTRG-UHFFFAOYSA-N 383.250 1.559 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21 2884331 LPKLRRCSKVAGMS-UHFFFAOYSA-N 395.448 1.584 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1 6539760 BFDHNJGSEKUKID-UHFFFAOYSA-N 390.461 1.646 0 50 GDAA O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCc2ccccc21 6680867 WEICIIDQYIJBSA-UHFFFAOYSA-N 378.475 1.972 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccccc3)nnc1n2Cc1ccccc1F 10965596 RIJBLXTZHGRVGF-UHFFFAOYSA-N 390.378 1.925 0 50 GDAA O=C(NCCO)c1cn([C@@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)nn1 12048567 RFXVLRKWSQVAHI-CQSZACIVSA-N 397.401 1.856 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1C 20467504 IKPUCCYGNBGAAA-UHFFFAOYSA-N 377.466 1.318 0 50 GDAA CCCCNCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 22913178 NYNRZHDKIHOKOA-LJQANCHMSA-N 379.545 1.962 0 50 GDAA COc1ccc(CC(=O)N[C@H]2CN[C@H](C(=O)N3C[C@H]4CC=CC[C@H]4C3)C2)cc1 67834351 ZBXKUHBDBOLNSB-RMJJICAUSA-N 383.492 1.509 0 50 GDAA CCN1CCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]2CS(=O)(=O)C[C@H]21 77470177 KGXZBHZVSSSMRW-CVEARBPZSA-N 377.441 1.317 0 50 GDAA CCCOCC(=O)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77504724 SHDVCPGDPXXPFO-UHFFFAOYSA-N 382.482 1.019 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(S(=O)(=O)C4CC4)C3)CCC2=O)cn1 82106958 LNJFIDLXUQPIRE-GOSISDBHSA-N 378.498 1.482 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@H]1N1CCOCC1 91586134 ZKVDPLNJYONLLF-PBHICJAKSA-N 386.452 1.591 0 50 GDAA O=C(C[C@@H]1COCCN1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 91643332 IBJXWHVTVIBGFY-GOSISDBHSA-N 379.460 1.907 0 50 GDAA CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)no1 91781391 XMKLRZOEPZJQEC-IAGOWNOFSA-N 378.517 1.191 0 50 GDAA O=C(c1ccc2c(c1)OCCO2)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 92028205 RLXFOMSQOBMUIA-MSOLQXFVSA-N 390.480 1.393 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ncnn12 95365685 CCKIKPAHANCOPM-LSDHHAIUSA-N 392.467 1.779 0 50 GDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 95498718 WNQJOAAXPUWAFL-PKOBYXMFSA-N 382.464 1.641 0 50 GDAA COc1cccc(OC2CN(C(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)C2)c1 95502668 LIHHSNYYGOISFX-MRXNPFEDSA-N 381.432 1.729 0 50 GDAA CCCN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95505960 VSXSPYRCKVQLCT-UHFFFAOYSA-N 383.514 1.818 0 50 GDAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)no1 97346964 MHAKMDFQKKUGKR-ZDUSSCGKSA-N 379.438 1.228 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CN)cc1OC 156103155 NTCIQWIJGZCOBD-SECBINFHSA-N 379.276 1.578 0 50 GDAA CC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C)c(Br)s2)C1=O 170616390 CTJBMIUJIQONQI-LLVKDONJSA-N 396.288 1.733 0 50 GDAA CO[C@H](C)c1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1 170653290 DVCSUDRMXVGTGO-NEPJUHHUSA-N 377.470 1.818 0 50 GDAA CC(C)Cn1cnc(S(=O)(=O)NCc2ccnc(N3CCOCC3)c2)c1 174970333 NPGAUCNAGOOCJT-UHFFFAOYSA-N 379.486 1.249 0 50 GDAA COc1c(C(=O)NCc2ccccc2CN2CCOCC2)cnc2c1cnn2C 181796319 SWNNZPSLJWCVON-UHFFFAOYSA-N 395.463 1.739 0 50 GDAA O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230216386 KWELZAGWOVTGIB-DLBZAZTESA-N 396.443 1.531 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)n1 244601903 DUAXJOZRSYWMJI-OAHLLOKOSA-N 376.482 1.607 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2N)cc1 248166239 ZYGOTHNOWRYYTG-LNRXMEIDSA-N 399.535 1.689 0 50 GDAA CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cccn(CC(F)(F)F)c1=O 253424150 AYEDJMMGYTYKSB-NSHDSACASA-N 384.376 1.884 0 50 GDAA Cn1cc(C(=O)NCC2CCN(C(=O)c3cccc4ccc(O)nc34)CC2)cn1 253426288 DRRDFJCAFDCJSV-UHFFFAOYSA-N 393.447 1.956 0 50 GDAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 262255239 DWRKHOFJKHVAFI-GFCCVEGCSA-N 377.422 1.642 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)c1ccccc1 262435882 NAXONFWINMJBRP-RISCZKNCSA-N 395.437 1.290 0 50 GDAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)C1 262506815 JKDURHKGYYJWOF-HOCLYGCPSA-N 395.500 1.053 0 50 GDAA CN1CCN(C(=O)c2cn(CCN(C)C3C4CC5CC(C4)CC3C5)nn2)CC1 299775365 BOHMTLAHHIPKSX-UHFFFAOYSA-N 386.544 1.422 0 50 GDAA Cc1sc2ncn(CCC(=O)N3CCC(O)(C(=N)O)CC3)c(=O)c2c1C 332568444 ABXIEAPNPMLTMJ-UHFFFAOYSA-N 378.454 1.354 0 50 GDAA CC(C)[C@H]1OCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 333433447 KNEWVQUWUVUDLW-DLBZAZTESA-N 388.530 1.137 0 50 GDAA N[C@@H]1CCO[C@H]1C1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 333905000 JOVXCKPDBBXBCQ-MOPGFXCFSA-N 394.560 1.559 0 50 GDAA COc1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1-n1nnnc1C 363194861 YRMWKLSTOQMRCR-UHFFFAOYSA-N 380.408 1.656 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 363795442 ZAJFKLMHVGTKHJ-ZWKOTPCHSA-N 389.496 1.575 0 50 GDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C2CCOCC2)C1 426422691 AMTXEDJQNXZLCQ-QGZVFWFLSA-N 375.517 1.934 0 50 GDAA CCCc1cc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n(C)n1 426489738 YNYIZCLBXQUQGP-NVXWUHKLSA-N 377.514 1.503 0 50 GDAA Cc1ccc(OC[C@@H](O)CNC(=O)NC(C)(C)CN2CCN(C)CC2)cc1 426506890 YBDQXPAWIOXYTM-KRWDZBQOSA-N 378.517 1.060 0 50 GDAA Cc1cc(C)n2nc(CC(=O)N(C)C[C@H]3Cc4ccccc4CN3C)nc2n1 426604239 FYYSUTVRSYCLBW-GOSISDBHSA-N 378.480 1.799 0 50 GDAA CCOc1ccc(CC(=O)N2CCC[C@H](N(CC(=O)O)C(C)=O)CC2)cc1 461336786 YKIFKZHDTIBMIB-KRWDZBQOSA-N 376.453 1.942 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)c1cccc(N2CCNC2=O)c1 670441999 CHEASPLBOMGHRN-UHFFFAOYSA-N 390.447 1.980 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@H](C)CN2CCc3ccccc3C2)cs1 670453918 BBYGQWWVKMHAFS-CYBMUJFWSA-N 393.534 1.833 0 50 GDAA Cc1ncnc(N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1C 952868332 JXOIGXIMZGMFJJ-UHFFFAOYSA-N 389.437 1.451 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](CNC(=O)c2cnccn2)C1 952977315 VFLRALQJDQPDEE-INIZCTEOSA-N 384.484 1.428 0 50 GDAA C[C@]1(C2CCN(C(=O)NCCN3CCc4ccccc43)CC2)NC(=O)NC1=O 1334410603 NEDGAQOMRDTXTC-HXUWFJFHSA-N 385.468 1.069 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(Cc3ccccn3)CC2)C1 1506420930 CCWJPQVTAHASCY-KRWDZBQOSA-N 382.530 1.193 0 50 GDAA Cc1sc2nc(CNC(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)cn2c1C 1529153433 BHFFLEJJQNXUSR-SJORKVTESA-N 384.461 1.885 0 50 GDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 1565511391 PTLXLTAKQLLHII-XOBRGWDASA-N 383.404 1.610 0 50 GDAA Cc1cc(C)c2ccc(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)cc2n1 1704303881 KUYGDTGULQWHCU-RDJZCZTQSA-N 383.448 1.709 0 50 GDAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[C@H]1O 1704311536 AVHZPTJGGYNESN-LSDHHAIUSA-N 377.409 1.020 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc4ncccn4n3)C1)CC2 1704342040 CSHHHPCJJJTCQR-LJQANCHMSA-N 378.440 1.101 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772806984 NHNSHAAFGYBKBZ-CQSZACIVSA-N 375.498 1.509 0 50 GDAA CN1CC[C@]2(C(=O)NCc3ccncc3)CCCN(C(=O)c3cnccn3)[C@H]2C1 1775982753 XXCKMJQOKNPUAJ-GHTZIAJQSA-N 394.479 1.115 0 50 GDAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(-n3cnnn3)n[nH]2)cc1 1857667762 JACBNOWAAFVDNN-INIZCTEOSA-N 397.439 1.258 0 50 GDAA O=C(N[C@@H]1CN(C(=O)c2cnc3cccnn23)CC[C@H]1O)C1CCCCCC1 1857678713 LUPQTBGQWUBXRU-NVXWUHKLSA-N 385.468 1.391 0 50 GDAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CC[C@H](C1)[C@@H]2NS(C)(=O)=O 1857688356 FLTYXAOVRGTUMP-HWLIBYHHSA-N 380.510 1.854 0 50 GDAA CN1C[C@H](n2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)CC1=O 1857698895 NGOMHJGAAZHRFC-MRXNPFEDSA-N 384.436 1.191 0 50 GDAA O=C(c1onc2ncccc12)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857717895 DNXPYDUCAVJANM-JXFKEZNVSA-N 385.395 1.790 0 50 GDAA CCn1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)n1 1857734847 UYSONKDZQUZBDS-OALUTQOASA-N 386.500 1.705 0 50 GDAA O=C(Cn1cc2ccccc2n1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857736304 OIDDRNKKSHELND-HGIWEUDGSA-N 377.444 1.632 0 50 GDAA CC(C)C[C@@H](NS(C)(=O)=O)c1nc(-c2cnc(OCC(F)F)cn2)no1 1875270708 YDCXQHHSHWFBRF-SECBINFHSA-N 391.400 1.807 0 50 GDAA C[C@@H]1CN(c2ccc(NC(=O)c3cncc(S(C)(=O)=O)n3)cn2)C[C@@H](C)O1 1875389282 IOJFVWLDWVHNAU-VXGBXAGGSA-N 391.453 1.141 0 50 GDAA Cn1c(O)nc(N2CC[C@@H](Nc3nccc(-c4ccccc4F)n3)C2)cc1=O 1875398828 GEQZGMJUZXEBGX-GFCCVEGCSA-N 382.399 1.773 0 50 GDAA Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)CC2)nc1 1875402917 OADUSUVMUKTCNM-BHIYHBOVSA-N 383.496 1.759 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NCc2cc3ccccc3o2)C[C@H]1O)c1cnccn1 1940197049 ONQXFRWNCCQTIS-YSVLISHTSA-N 380.404 1.409 0 50 GDAA CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@@H]1CN(Cc2cc[nH]c2)C2(CCC2)CO1 2325785264 MPNPNSQRWLQBBB-MJGOQNOKSA-N 388.512 1.511 0 50 GDAA Cn1nc(C(=O)NO[C@H](Cc2ccccc2)C(=O)O)c2c1CCC(F)(F)C2 2325813533 VPOMXOXFDHTBKT-CQSZACIVSA-N 379.363 1.901 0 50 GDAA Cc1n[nH]cc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C(=O)[C@H]1C[C@@H](n3cnnc3)C1)C2 2325872999 UWOKBIZLJXTJSD-FHORWPOSSA-N 397.483 1.555 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cccc2c1COC2 2325875449 SGEBNIOUYHBRJW-YNAXMUEKSA-N 379.434 1.257 0 50 GDAA CS(=O)(=O)CCC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356148538 DWKZLRVZQMDNPG-IBGZPJMESA-N 378.494 1.605 0 50 GDAA COc1cc2nc(N3CCc4nc(C5CC5)nn4CC3)[nH]c(=N)c2cc1OC 2356168502 GWZGOIFEIONFNF-UHFFFAOYSA-N 381.440 1.591 0 50 GDAA NC1=NC(=O)C[C@H](C(=O)Nc2ccc(I)cc2)S1 1133110 DVMHDELLLIBJDD-MRVPVSSYSA-N 375.191 1.577 0 50 GDAA CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1134262 ZEUCBVPUCXDHKD-UHFFFAOYSA-N 389.477 1.901 0 50 GDAA COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@](O)(CO)[C@@H]2CO)ccc1O 1668769 KCIQZCNOUZCRGH-VOBQZIQPSA-N 376.405 1.135 0 50 GDAA biogenic,in-vitro COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)c(C)n23)n(C)c1=O 4250737 OPVNMMGFCCUMNV-ZDUSSCGKSA-N 395.419 1.489 0 50 GDAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OC)cc3OC)CC2)O1 12051487 YDEXSWZFJWGTMC-GOSISDBHSA-N 392.496 1.980 0 50 GDAA O=C1NCCN(C2CCCC2)[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 12441355 DEIFMIPLOHDBCZ-LJQANCHMSA-N 388.487 1.607 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1 20166351 FFSWWEVWILEHHK-UHFFFAOYSA-N 388.512 1.480 0 50 GDAA Cc1oc(-c2cccs2)nc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 20918367 ZPLVIOMGGQCWDE-IAGOWNOFSA-N 376.526 1.894 0 50 GDAA O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCOCC1 24608314 NTKQXTJOLXYQSZ-UHFFFAOYSA-N 386.901 1.741 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3csnn3)C2)CC1 55200201 LPLYZPQZFILANK-HNNXBMFYSA-N 387.509 1.974 0 50 GDAA CC(C)(C)NC(=O)COc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C(N)=O)c32)cc1 65384913 BFWNXMQKMLWBRE-LBPRGKRZSA-N 385.424 1.276 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)c3nc(O)c4ccccc4n3)C2)nn(C)c1=O 67723682 QPXRGDSCGZUYMB-GFCCVEGCSA-N 382.424 1.270 0 50 GDAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(N3CCOCC3)CC1)C2 67841167 YUEIZJXMTHFFKI-QGZVFWFLSA-N 390.528 1.891 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C[C@@H]1CCC(=O)N1)C2 71760055 OIRVIGJBVMFATE-ZDUSSCGKSA-N 380.452 1.158 0 50 GDAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cnc[nH]c1=O 72158699 IJTYEHXCKVMWRY-NSHDSACASA-N 380.326 1.320 0 50 GDAA CCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)Nc2ccccc2)cn1 72419838 JHRIJQWPQWUSFK-OAHLLOKOSA-N 378.454 1.321 0 50 GDAA O=C(C[C@@H]1COCCN1C(=O)CCn1cccn1)NC1Cc2ccccc2C1 72454010 VEAHLOCBKYUQNM-LJQANCHMSA-N 382.464 1.174 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)ncn2)c1 82230575 RCQOWKGTEFBCOC-UHFFFAOYSA-N 391.497 1.320 0 50 GDAA NC[C@H](O)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91603911 GMCQLSHTXAWVTP-MRXNPFEDSA-N 381.423 1.016 0 50 GDAA CCC(CC)NC(=O)c1cccc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)c1 95378700 PLXSONLVAIZJEV-AWEZNQCLSA-N 386.495 1.194 0 50 GDAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 96152066 SYJJNFPRHRLKKX-UHFFFAOYSA-N 381.458 1.472 0 50 GDAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 100050766 KZQSSDATSUZMMO-SFHVURJKSA-N 379.416 1.839 0 50 GDAA Cc1cc2[nH]c(CN3CCC4(CC3)Nc3ccccc3NC4=O)cc(=O)n2n1 102829899 GKERZHLCESKNLQ-UHFFFAOYSA-N 378.436 1.730 0 50 GDAA O=C(O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 169615944 SBPCVHSIKOVVDH-UHFFFAOYSA-N 390.399 1.541 0 50 GDAA O=C(CNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)NCCc1ccccc1 172908448 KDDBLIZLZJAXQI-IBGZPJMESA-N 394.475 1.409 0 50 GDAA O=C1NC(=O)[C@]2(CCCN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)N1 192656535 TZHSHBCUJDSRKH-MRXNPFEDSA-N 395.250 1.748 0 50 GDAA CC1CCN(C(=O)COc2ccc(CN3CCO[C@H](C(N)=O)C3)cc2)CC1 216099003 GSQFRBLXZOXTQC-SFHVURJKSA-N 375.469 1.010 0 50 GDAA COC(=O)C[C@@H]1C(=O)NCCN1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 225402845 XICXDKNKJGBDLW-LSDHHAIUSA-N 383.489 1.387 0 50 GDAA O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@H]3N4c3ccc(Br)cc3)[C@H]2C1=O 244647138 GVQYMUIOTOXTTR-FWJGABPOSA-N 391.221 1.342 0 50 GDAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@H]2C3)c1 253490027 HFLBUZFJUCCSAQ-GOEBONIOSA-N 379.482 1.116 0 50 GDAA O=C(O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H]1COCCO1 262883481 ZGABASQHIYQXKE-UONOGXRCSA-N 397.225 1.458 0 50 GDAA Cc1ccc([C@H](CCO)NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)cc1 299782633 GMLLYUZSMPTQSC-KRWDZBQOSA-N 394.468 1.961 0 50 GDAA O=C([C@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(n2cncn2)C1 377666194 DAAPSBNTKUXUOH-CQSZACIVSA-N 391.378 1.568 0 50 GDAA O=C(NC1CCN(Cc2ccncc2)CC1)N(CCO)Cc1nccs1 426394775 ZBLSLFGCSMDVBH-UHFFFAOYSA-N 375.498 1.707 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1 467927316 PTIKIGMSMHKKJM-FDYHWXHSSA-N 378.372 1.889 0 50 GDAA CN1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1=O 827943486 ZILFKLSONVSZAH-UHFFFAOYSA-N 376.416 1.364 0 50 GDAA C[C@H](NC(=O)CCN1CCC(C(N)=O)CC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989623 FAQOAJIHZFNRJP-XJKVJRSZSA-N 377.529 1.410 0 50 GDAA Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(C(F)(F)F)nc2)cn1 888092904 PKKSKYLRLLBBEK-NRRJATNASA-N 386.399 1.709 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1c1nccn2nnnc12 952888082 LXPDPWNCUATERH-MRXNPFEDSA-N 376.424 1.900 0 50 GDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccoc2)C1 952975857 GVLZDCUVHGGOMQ-HNNXBMFYSA-N 386.452 1.993 0 50 GDAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@@H]4OCc5cnnn5[C@@H]4C3)c2c1 1076078999 WDMVUAHIXHSQNL-CVEARBPZSA-N 383.408 1.257 0 50 GDAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cncnc1C 1321782778 ZDQCUOIGJGDTAU-SNVBAGLBSA-N 399.856 1.971 0 50 GDAA CN(Cc1cc(-c2cccnc2)no1)c1cncc(C(=O)N2CCOCC2)n1 1506428260 OCBSNPKNVKOBGP-UHFFFAOYSA-N 380.408 1.635 0 50 GDAA O=C(c1ccc2nc[nH]c2c1)N1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 1529095215 OGWCADINNKIWIY-UHFFFAOYSA-N 378.436 1.763 0 50 GDAA CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1cccc2cccnc12 1529139751 RKRGJWBPPHTAGF-UHFFFAOYSA-N 378.436 1.114 0 50 GDAA Cc1cc(C)n(-c2cccc(CN3CC[C@H](N4CCN(C)CC4)[C@@H](O)C3)c2)n1 1565506166 JSCSYJSIQXVZMN-VXKWHMMOSA-N 383.540 1.672 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1C[C@H]2[C@H](C1)C2(CO)CO 1772704203 MOVDIWANIYHFBK-IRXDYDNUSA-N 378.432 1.152 0 50 GDAA COc1nccnc1N1CCCN(C(=O)Cn2c(C)nc3ccccc32)CC1 1775980204 WRWMGWVZNVPDIP-UHFFFAOYSA-N 380.452 1.882 0 50 GDAA CCc1ocnc1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnn3ncccc23)CC1 1775986855 LKUOPBCOWVIXRZ-JOCQHMNTSA-N 382.424 1.751 0 50 GDAA CCCC1(C(=O)N2C[C@H]3[C@H](NC(=O)[C@H](C)NC(=O)c4ccccc4)[C@H]3C2)CC1 1775990201 DIAHNAHBBVSPRE-DZJNRPSUSA-N 383.492 1.958 0 50 GDAA Cn1nccc1CC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1c(Cl)cnn1C)CC2 1775990327 FVFYLASIFOWBMX-KSSFIOAISA-N 390.875 1.303 0 50 GDAA Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)no1 1782580931 GNWJSQKQAOZRNT-IBGZPJMESA-N 396.407 1.012 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)C[C@@H]1O)c1cccc(O)n1 1857721936 NIJBVQUJUVNVSI-QRTARXTBSA-N 387.411 1.502 0 50 GDAA CC(C)n1cnnc1CN(C)C[C@@]1(O)CCCN(C(=O)c2ncccc2O)C1 1857733934 GJIBCPMHDOCZQM-IBGZPJMESA-N 388.472 1.059 0 50 GDAA COCCc1noc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857734351 PVBMMHMSATWENC-LPHOPBHVSA-N 379.432 1.186 0 50 GDAA COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3ccccn3)CC[C@H]2O)cc1C 1875245165 NBHGLMJVORBRFJ-QXAKKESOSA-N 397.475 1.974 0 50 GDAA CCCN(C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 1875332584 ZTHUIAKWRGJWKP-HNAYVOBHSA-N 385.512 1.800 0 50 GDAA Cc1nc(C(=O)NCc2cccc(CO)n2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403970 NLUHURYLVCKLAR-QGZVFWFLSA-N 384.484 1.051 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1ccn(-c2ccccc2)n1 2325785345 QWITWMIGUKFUNW-RBUKOAKNSA-N 393.495 1.722 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)C1 2325888686 QUZFUXBVVUALBD-HNNXBMFYSA-N 387.455 1.971 0 50 GDAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(Br)c1 878941 PTMGJNJESYWFLP-CYBMUJFWSA-N 391.287 1.510 0 50 GDAA CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCOCC2)cc1Cl 6729794 RJFCNKVOFWXDKZ-UHFFFAOYSA-N 390.889 1.608 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(CC)c1 11958512 KSFNOMDCDZVMEP-SFHVURJKSA-N 399.495 1.309 0 50 GDAA CN(C(=O)Cc1cnc2ncnn2c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12385762 QNJRSLQCDVTDLS-LJQANCHMSA-N 390.491 1.757 0 50 GDAA COCCCn1c(CN(CCO)Cc2ccccc2)cnc1S(C)(=O)=O 12444736 CPEIATCQYMOZPA-UHFFFAOYSA-N 381.498 1.318 0 50 GDAA COc1cccc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1OC 13008800 BNFDJSWETIVHKN-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)n1 13645041 JIYXFPFQYLLOMC-UHFFFAOYSA-N 398.345 1.198 0 50 GDAA CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2 15000452 HQHJHWZYMHDTIX-KRWDZBQOSA-N 397.479 1.643 0 50 GDAA O=S1(=O)CC[C@@H](N2CCN(c3nncc(-c4cc5ccccc5o4)n3)CC2)C1 19835795 AUIJUPIKDDEYIN-OAHLLOKOSA-N 399.476 1.594 0 50 GDAA Cc1cc(=O)c(C(=O)N2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)c[nH]1 20207518 YWGVUJUFRLRCSG-OAHLLOKOSA-N 378.436 1.889 0 50 GDAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCCN(Cc2cccs2)CC1 23338686 CBPGDIJJCFTRPE-OAHLLOKOSA-N 375.498 1.867 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCc3cnc(C)cn3)C2=O)c1 67694571 XFKJFWBYRTWOJC-HXUWFJFHSA-N 388.443 1.576 0 50 GDAA CCNc1ncc(CN2CCN(C)C3(CCN(C(=O)OCC)CC3)C2)cn1 67805655 WZZFYNCDAIQAEU-UHFFFAOYSA-N 376.505 1.647 0 50 GDAA O=C(CCc1cc2n(n1)CCNC2)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 72432880 UITZSJANKGUBSH-UHFFFAOYSA-N 395.467 1.327 0 50 GDAA COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72437800 UVMPXGFEQMTFRL-ZIAGYGMSSA-N 399.513 1.399 0 50 GDAA O=C(N[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)C[C@H]1O)c1ccccn1 77301096 TXEBOQYMBWKKPQ-NVXWUHKLSA-N 379.420 1.497 0 50 GDAA COc1ccccc1C(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1 77437759 SNZYXMPUQGVPKY-UHFFFAOYSA-N 376.844 1.920 0 50 GDAA Cc1oc2c(c1C(=O)N1CCC3(CC1)[C@@H](OCCN)C[C@H]3O)C(=O)CCC2 91382230 MQZGXCRFSNZNLY-CVEARBPZSA-N 376.453 1.438 0 50 GDAA COc1ccc([C@H]2CN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C[C@@H]2N)cc1 92107989 UXVYYYYKRZZMEQ-MSOLQXFVSA-N 378.432 1.509 0 50 GDAA CCc1nnc(CNS(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)s1 95360087 VNAKSHMFOTUWOR-UHFFFAOYSA-N 380.495 1.861 0 50 GDAA Cc1nnc(SCC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)o1 95505327 CQWHGSOMQRANCJ-CQSZACIVSA-N 378.502 1.634 0 50 GDAA CCCn1nc(C)cc1NC(=O)N1CCC(N2CCN(CCO)CC2)CC1 95506712 VFNYKBSMFXLQBX-UHFFFAOYSA-N 378.521 1.208 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 95516408 LPEGXFPDSORECE-CQSZACIVSA-N 377.470 1.329 0 50 GDAA COc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)ccc1OC1CCN(C)CC1 95521380 HVFSAOGCZVDUCV-AWEZNQCLSA-N 380.466 1.209 0 50 GDAA CCc1nnc(CNC(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)s1 95530001 ZRCVXKZCDHTKLG-UHFFFAOYSA-N 376.442 1.621 0 50 GDAA CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 177513320 WHQQUBBWWZJREO-GOSISDBHSA-N 379.526 1.232 0 50 GDAA COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c[nH]c(-c3ccccc3)n2)C1 190832169 WOXQJLZFRNSXPD-GOSISDBHSA-N 392.525 1.949 0 50 GDAA O=C(c1cnc(-c2ccncc2)nc1)N1CCC(CO)(CN2CCCC2)CC1 223920132 JTPXCIDTMYBWRA-UHFFFAOYSA-N 381.480 1.849 0 50 GDAA COc1ccccc1[C@H](C)NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 252477832 WBYQUGYDOQTCAA-YJBOKZPZSA-N 388.512 1.287 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCNCC4)CC2)cc1 252497418 QHAGRFLLLZTWQN-UHFFFAOYSA-N 393.487 1.982 0 50 GDAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1NCC(=O)NCC1CC1 252511600 IOMCTIDPZBYJQM-GVDBMIGSSA-N 381.517 1.907 0 50 GDAA CSCC[C@@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 252533187 GEZCOXVMNRVCBC-GFCCVEGCSA-N 388.453 1.702 0 50 GDAA C[C@@H](O)c1ncc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1 253404751 DYDVRMKSFRPVFH-GFCCVEGCSA-N 392.456 1.732 0 50 GDAA O=C(O)c1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 262149202 JHNCCBYMDKYTAS-CVEARBPZSA-N 381.450 1.122 0 50 GDAA CCNC(=O)c1cccc(CNS(=O)(=O)Cc2ccccc2C(=O)OC)c1 269634928 BMGQFVDQBMZIBI-UHFFFAOYSA-N 390.461 1.843 0 50 GDAA O=C1CSCN1CC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275506181 CWCUGXDNNAGNMC-CQSZACIVSA-N 376.482 1.194 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CC(=O)N1CCNC1=O)CC2 276402963 KNCZZRYPUUIWPB-MRXNPFEDSA-N 390.509 1.503 0 50 GDAA O=C(Cc1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1)N1CCSCC1 333168423 NFGHVNPJNAJTRN-IAGOWNOFSA-N 388.537 1.878 0 50 GDAA CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 366864923 AWZRCIFVYQRTQJ-IPMKNSEASA-N 398.525 1.178 0 50 GDAA O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 369728922 FJQRCOUTMVGTQB-MSOLQXFVSA-N 380.510 1.025 0 50 GDAA O=C1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]([C@@H]2CCCO2)N1 378041694 FUXCILMQMOVJFB-XODKDNOYSA-N 385.508 1.841 0 50 GDAA O=C1CN(C(=O)CCC(=O)N[C@H](C(=O)O)c2ccccc2)c2ccccc2N1 426710114 HTXFMFROHXTXTM-IBGZPJMESA-N 381.388 1.694 0 50 GDAA O=C(c1cnc2[nH]nnc2c1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 470195237 SHYPYTCGOFXOMS-UHFFFAOYSA-N 398.374 1.576 0 50 GDAA O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nc(=O)o[nH]2)cc1 490056021 DBNHMBMJKRFIPI-AWEZNQCLSA-N 382.351 1.704 0 50 GDAA CN1C(=O)C[C@@H](C(=O)NCCc2nc(-c3cccnc3)n[nH]2)c2ccccc21 670472587 OUFMOTZSDJEUDG-OAHLLOKOSA-N 376.420 1.676 0 50 GDAA O=C(N=c1cc[nH]cc1I)NC[C@@H](O)c1ccccc1 779347160 IEFSDGGOJZQGCH-CYBMUJFWSA-N 383.189 1.963 0 50 GDAA Cn1cncc1C(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 828202266 UWSSHTDSNGUXDB-MRXNPFEDSA-N 390.509 1.336 0 50 GDAA Cn1nccc1[C@@H](O)C1CCN(C(=O)NCc2ccc(CN)cc2F)CC1 857106685 WQYMXICZOUXNBE-SFHVURJKSA-N 375.448 1.673 0 50 GDAA CCc1onc(C)c1NC(=O)N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1 886027697 FOPFKYGMXPKHHY-KFWWJZLASA-N 375.473 1.895 0 50 GDAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCOC3)cc2)n1 888093142 BVTOJKQQQDVASV-ZDUSSCGKSA-N 376.438 1.869 0 50 GDAA CN1CCN(CC(=O)N2CC(C)(C)[C@@H]2c2nccn2Cc2ccccc2)CC1=O 952890850 KJNNDRHRTCQIRM-FQEVSTJZSA-N 395.507 1.615 0 50 GDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1c[nH]c3c(F)cccc3c1=O)C2 1073375075 KIXQZCWPUUAEQF-OLZOCXBDSA-N 386.427 1.885 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)cc1 1506413775 VPFZTEAHCAHMBR-INIZCTEOSA-N 391.424 1.047 0 50 GDAA Cc1ncn(CCNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)c1C 1529161378 GVVIJUUBDYBUBH-MOPGFXCFSA-N 383.452 1.142 0 50 GDAA OC[C@]12CN(CCCn3ccnc3)C[C@H]1CN(Cc1c(F)cccc1F)C2 1772813389 ZGGGMSJJRPBDHC-OXJNMPFZSA-N 376.451 1.978 0 50 GDAA COCCNC(=O)[C@@]12CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@H]1CN(C)CC2 1775980226 VDMBXMUGCIMJLN-GHTZIAJQSA-N 399.495 1.252 0 50 GDAA Cc1ccc2oc(N3CCC([C@@H](C)NC(=O)CCn4cnnn4)CC3)nc2c1 1775993036 WZUCRPIPBJSRAT-CQSZACIVSA-N 383.456 1.934 0 50 GDAA CCOc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)ccc1Cl 1857669140 JZJBORVFUXAAPF-BLLLJJGKSA-N 375.874 1.758 0 50 GDAA NC(=O)c1ccc(-c2nc(-c3cccc4nn[nH]c34)n([C@@H]3CCOC3)n2)cc1 1857679546 YOVIYWVCRYRWHI-CYBMUJFWSA-N 375.392 1.944 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2cnc[nH]2)CC[C@H]1O)c1ccc(Cl)cc1 1875243444 HKSWKJDMPPDYBK-IAOVAPTHSA-N 390.871 1.681 0 50 GDAA CC1(c2cc(N3CCN(C(=O)C[C@H](NC(N)=O)c4ccccc4)CC3)n[nH]2)CC1 1875258365 SIBQDQNKAYHEOS-INIZCTEOSA-N 396.495 1.910 0 50 GDAA COc1ccc(C2(C(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)CCOCC2)cc1 1875402932 ONWPKHJBPGJLCM-NSISKUIASA-N 399.491 1.896 0 50 GDAA COc1cc(C(=O)NCc2cc(CNC(=O)c3ccncc3F)ccn2)ccn1 2100477135 ILDXGJCECBFPRQ-UHFFFAOYSA-N 395.394 1.879 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2csc(=N)[nH]2)[C@H]1c1ccccc1 2100554888 GGHOYBBWMVIFAE-SJORKVTESA-N 388.493 1.591 0 50 GDAA C[C@H](CN(C)C(=O)C[C@H]1CCCCC1(F)F)NC(=O)C[C@H]1COCCO1 2325825482 RFEXVVQXEVMHHI-KFWWJZLASA-N 376.444 1.971 0 50 GDAA COC12CCC(C(=O)NCC3CN(C(=O)c4cnn5c(C)ccnc45)C3)(CC1)C2 2325828781 QWYYFULYATVABT-UHFFFAOYSA-N 397.479 1.575 0 50 GDAA Cc1cc[nH]c1C(=O)N1CC2(C[C@H](NC(=O)C[C@H]3CCN(C)C3)c3nccn32)C1 2332238103 ZHPZPCCNXCIWTA-CVEARBPZSA-N 396.495 1.274 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cnc(N3CCCCC3)nc2C)CC[C@@H]1O 2356144744 KRADVOHIKWMTIZ-OXJNMPFZSA-N 390.484 1.853 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NC2(C(N)=O)CCCCC2)[C@H]1c1ccccc1 2356169600 DTOQAWDWKMAUOE-MSOLQXFVSA-N 387.480 1.668 0 50 GDAA CS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1 4487991 QSXULFPVAKYZFF-UHFFFAOYSA-N 397.460 1.723 0 50 GDAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccn4)CC3)n2)cc1 9087899 NVIDTYXZJHTAHL-UHFFFAOYSA-N 392.467 1.923 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 10324577 KWQKYYUPJMPRID-UHFFFAOYSA-N 390.303 1.906 0 50 GDAA COc1cccc(CC(=O)NCCn2cc(C(=O)NCc3ccccc3)nn2)c1 12513432 DRDJRXULAVXDAB-UHFFFAOYSA-N 393.447 1.576 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C1CCOCC1 12575949 XMQPYEMJSKVCCK-GOSISDBHSA-N 389.496 1.413 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCOCC2)c1 12715724 JUEDMNLRLFUTRL-SFHVURJKSA-N 375.469 1.023 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009236 MMNOZDIITHNGOC-UHFFFAOYSA-N 398.492 1.736 0 50 GDAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)o1 14981683 JVMVDZHEJHULRB-QGZVFWFLSA-N 377.485 1.208 0 50 GDAA O=C(Cn1nc2ccccc2n1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 15070923 GUZASHWIFHRETI-INIZCTEOSA-N 381.411 1.530 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1cn2c(n1)SCC2 15075647 XHPAAAYUHLSNTJ-CQSZACIVSA-N 391.522 1.057 0 50 GDAA O=C(CN1Cc2ccccc2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20761909 GUPDNGGAZSGPES-SFHVURJKSA-N 377.400 1.936 0 50 GDAA biogenic Cc1cccn2c(CNCCc3ccncc3)c(C(=O)N3CCOCC3)nc12 23338091 SNQAIVMHUBNGMC-UHFFFAOYSA-N 379.464 1.842 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3ccccn3)C2=O)c1 67689250 ZYEPNFIHZTVFLT-NRFANRHFSA-N 387.455 1.915 0 50 GDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 67955200 DJNBBIJQOPEYPZ-UHFFFAOYSA-N 381.392 1.359 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cccc(-n3cnnc3)n2)CCC(=O)N1CC1CC1 71711958 ALLZSFQSHJALRJ-KRWDZBQOSA-N 382.468 1.771 0 50 GDAA Cc1nn(CC(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)cc1Cl 77322115 RRFRPEPQAQWGBM-UHFFFAOYSA-N 379.896 1.441 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](C)O)CC3)o1 77407028 REIBEHNTTAPPTF-ZDUSSCGKSA-N 378.450 1.332 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3ccc(Cl)cc3)cc2C1 82134451 COLPCLDFOIHDHK-UHFFFAOYSA-N 375.860 1.893 0 50 GDAA CC(=O)N1CC2(CCN(c3ncc(C(=O)O)cc3Cl)CC2)C[C@H]1C(=O)O 82160865 WHONTQVAQPBGOL-ZDUSSCGKSA-N 381.816 1.725 0 50 GDAA CC1(C)CN(Cc2nnc(-c3cccnc3)o2)CC[C@]1(O)CN1CCOCC1 91411965 MLWIPOMVSWOGGP-FQEVSTJZSA-N 387.484 1.427 0 50 GDAA CCCN1CCC[C@@]2(CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)C1=O 91779158 HQPNHNZOBWOCMY-QFIPXVFZSA-N 396.491 1.956 0 50 GDAA O=C(O)CCN1CCN(Cc2ccc(Cl)s2)[C@H]2CS(=O)(=O)C[C@H]21 92028249 ZIKWPHBXSAHFBR-NEPJUHHUSA-N 378.903 1.159 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCOCC3)cc2)CC1 95523036 BXXCHCHRMIXOSJ-UHFFFAOYSA-N 376.453 1.565 0 50 GDAA Cc1cccc(CN2CCC(N3CCC(C(=O)NC(C)(C)CO)CC3)CC2)n1 96791618 MBOYEURVRZJXQJ-UHFFFAOYSA-N 388.556 1.954 0 50 GDAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)[C@@]1(CO)C=C[C@H]2O1 101373638 ATUOLWHTOJYDQL-BLTAXRJOSA-N 397.168 1.097 0 50 GDAA CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)NC2CCN(C(C)C)CC2)CC1 114456044 YJZQZCSSGAAUCZ-QGZVFWFLSA-N 380.577 1.848 0 50 GDAA Cn1ccc(N2CCC[C@H](N3CCN(C(=O)c4ccc(O)cc4)CC3)C2=O)n1 131013100 FVOKWDPFVKJCNH-KRWDZBQOSA-N 383.452 1.079 0 50 GDAA COCC(=O)NC1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 186319939 VSAQEQSWKMZQOJ-UHFFFAOYSA-N 376.416 1.884 0 50 GDAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@@H](O)C3)c2)cs1 215800142 DJRZULBTSNMWJL-CQSZACIVSA-N 381.479 1.137 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)NCCc1nc(-c2cccnc2)no1 219580417 KWANOUFUGRGEQV-UHFFFAOYSA-N 376.376 1.200 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2C[C@H]2C)c1C 230184504 HJIRIFGOTFVSID-VZEFYGNVSA-N 380.510 1.569 0 50 GDAA CCOc1ccccc1N1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1 236958821 IQWOORMMCMUTTE-UHFFFAOYSA-N 384.484 1.564 0 50 GDAA COc1c(CNC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)nn1C 237197239 UPUXJKFXMHRRQO-UHFFFAOYSA-N 392.525 1.988 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1)N1CCCC1 244795459 RGUMVMVCCVWNCE-KRWDZBQOSA-N 377.510 1.781 0 50 GDAA O=C(C[C@H]1N=C(O)N(c2ccccc2)C1=O)NC1CCN(C(=O)C2CC2)CC1 252508909 XXEUPPCAJPUNPZ-MRXNPFEDSA-N 384.436 1.223 0 50 GDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 253420610 OCOQPBUNCJMWHK-NUTKFTJISA-N 390.390 1.698 0 50 GDAA C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@]1(C(=O)O)CCSC1 262120835 ITJLMWCWJUTXOX-MGPLVRAMSA-N 386.470 1.962 0 50 GDAA COCCn1c(C)cc(C)c(C(=O)NC2CCN(Cc3cccnc3)CC2)c1=O 263587278 FEJBZOHEAWQSDL-UHFFFAOYSA-N 398.507 1.901 0 50 GDAA COC(=O)c1cn(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc2c(=O)[nH]nc1-2 263588338 SAWGGVHRRSJIAU-UHFFFAOYSA-N 397.391 1.450 0 50 GDAA Cc1cc(C)n(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(F)cc2)n1 263616946 LHRYQUDFWAWOLT-UHFFFAOYSA-N 393.378 1.725 0 50 GDAA C[C@H](O)C[C@@H]1CCCN1C(=O)c1sccc1S(=O)(=O)N1CCOCC1 269865985 DVPHUTOUIJNKTG-STQMWFEESA-N 388.511 1.145 0 50 GDAA NC(=O)N[C@@H](CO)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 270788924 LNJDVJXXGHYHCN-NWDGAFQWSA-N 380.203 1.062 0 50 GDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(=O)(=O)[C@H]1CCOC1)CC2 275082049 FAUSUFKNKQYSCA-JSGCOSHPSA-N 385.438 1.196 0 50 GDAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3cccc4cccnc34)cc2C1 299768426 KSASDDQRHUKNIK-UHFFFAOYSA-N 385.449 1.137 0 50 GDAA Cc1cccn2cc(C(=O)NCc3cc4n(n3)CCN(C(=O)C(C)C)C4)nc12 299791233 DJNDKLSWIUTUQD-UHFFFAOYSA-N 380.452 1.767 0 50 GDAA Cc1cncc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 328604623 KLLCFXFYFZISJP-GOSISDBHSA-N 383.496 1.745 0 50 GDAA O=C1C[C@@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CO1 328605196 MIYGWTPJMSTCBK-WAWZGNHOSA-N 382.420 1.965 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2cncc(C(=N)O)n2)[C@@H]1c1cnn(C)c1C 328615428 YHQRJVRKRILLOJ-YVEFUNNKSA-N 387.444 1.050 0 50 GDAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)[C@@H]1CSCN1C(=O)C1CCC1 332875893 HICVLGWAORRHAI-PBHICJAKSA-N 381.542 1.305 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)ccc1F 369650968 YMXCWVUURJCDLM-MRXNPFEDSA-N 399.434 1.364 0 50 GDAA COCCc1noc([C@H](C)NC(=O)N2CCC(Oc3cccnc3)CC2)n1 426504628 QUOWWCVKYCGQLX-ZDUSSCGKSA-N 375.429 1.968 0 50 GDAA Nc1nc(O)cc(-c2ccc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)cc2)n1 426701747 WMFUWUHOGIELHC-MRXNPFEDSA-N 384.436 1.578 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2N2CCOCC2)cc1 522253786 CDEJBDWFUWSJHN-UHFFFAOYSA-N 375.450 1.101 0 50 GDAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 818321584 YCHFWRXVLLNPPE-MAUKXSAKSA-N 397.435 1.286 0 50 GDAA C[C@H]1CCc2ccccc2N1S(=O)(=O)NC(=O)[C@@H]1CNC(=O)c2ccccc21 860529282 CWAVDUVNOQUSLE-SUMWQHHRSA-N 399.472 1.716 0 50 GDAA COC(=O)C[C@H](c1cnn(C)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089159 MCVRCMBUJBYRAY-OAHLLOKOSA-N 385.424 1.257 0 50 GDAA Cc1nc(N2CCC[C@H](CNC(=O)CN3C(=O)CN(C)C3=O)C2)ccc1Cl 952964416 NMUJCSYMAJRMFF-CYBMUJFWSA-N 393.875 1.270 0 50 GDAA Cc1nc(C(C)C)sc1C(=O)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 1529109859 GSVMSWDWNHJERL-UHFFFAOYSA-N 389.481 1.647 0 50 GDAA O=C(c1cc(N2CCOCC2)no1)N1CCc2nc[nH]c2[C@H]1c1ccncc1 1772817165 KPUXAKYRCWWKIM-GOSISDBHSA-N 380.408 1.417 0 50 GDAA Cc1nonc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2csc(CN(C)C)n2)C1 1857678683 KKTOLDMTPILXDP-VXGBXAGGSA-N 392.485 1.367 0 50 GDAA COc1ccc(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c(Cl)c1OC 1857711758 KYYHIPFXGNCRLC-GUTXKFCHSA-N 388.917 1.516 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCCNc3ncccc3C)CC2=O)s1 1857717270 OWGMUEMBTYWRNJ-ZDUSSCGKSA-N 388.497 1.775 0 50 GDAA Cc1cncc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(=N)[nH]4)C[C@]34CC[C@H]2O4)c1 1857721289 IFSJPLAQLRBGMR-QCBUCWTNSA-N 380.452 1.006 0 50 GDAA O=C(O)CN1C[C@@H]2[C@H](CNC(=O)CCc3cccc(F)c3)[C@H]3CC[C@]2(C1)O3 1857738023 NXURVDVTNANKNG-TVKQPGBESA-N 376.428 1.439 0 50 GDAA COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)cn1 1857738940 FSHPJYFGBYAKFL-ZDUSSCGKSA-N 387.465 1.248 0 50 GDAA COc1nc2c(cc1C(=O)N1CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]14)CCC2 1857741150 FICPYWATBXZXKO-FVJLSDCUSA-N 385.464 1.777 0 50 GDAA COC(=O)CSCc1nc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)no1 1875260185 HPOPIONPKJLYKA-INIZCTEOSA-N 376.394 1.197 0 50 GDAA CNS(=O)(=O)c1cc(Cl)sc1C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2OC 1875313687 WWOICGOEMLVBJW-JXUBOQSCSA-N 378.903 1.853 0 50 GDAA CC(C)n1cc(CC2(C(=O)O)CCN(C(=O)CCc3cnccn3)CC2)nn1 1875356320 TZFVFCDYLWRLIA-UHFFFAOYSA-N 386.456 1.518 0 50 GDAA Cc1nc(C(=O)NCC(C)(C)C(C)(C)O)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404084 UJNJLWNIZCVNPG-OAHLLOKOSA-N 377.533 1.761 0 50 GDAA CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1(C)CCOCC1 2325793035 CVRJDMSNXGYGQR-BZUAXINKSA-N 379.501 1.358 0 50 GDAA CCOC(=O)[C@@H](NC(=O)c1ccc2c(c1)COCCN2)[C@H](O)c1ccncc1 2325826532 DXURRWXSTMFPHS-ZWKOTPCHSA-N 385.420 1.419 0 50 GDAA O=C(Cn1ccccc1=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356169902 KXCBCYNSMXRETD-FIKGOQFSSA-N 387.480 1.135 0 50 GDAA Cc1cc(-c2nc(CC(N)=O)nn2-c2cnc3ccccc3n2)nn1C(F)F 2356137256 UYRICRSXYCVFGQ-UHFFFAOYSA-N 384.350 1.805 0 50 GDAA O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccccc1Br 2881165 XQDYKZCZJDCREN-UHFFFAOYSA-N 395.209 1.632 0 50 GDAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(OC)c(Cn3cncn3)c2)C[C@H]1O 2356161214 KWLISUJUSJPWGN-QUCCMNQESA-N 388.468 1.773 0 50 GDAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 55283648 LHXYGYOMZLGEPE-AWEZNQCLSA-N 395.467 1.653 0 50 GDAA C[C@H]1CN(C(=O)Cn2c(=O)n(CC3CC3)c3ccc(C(=O)O)cc32)C[C@@H](C)O1 55074466 SCQKIDJTFOZSPF-BETUJISGSA-N 387.436 1.547 0 50 GDAA Cc1ccc2nc(SCC(=O)N3C[C@@H](N)C[C@H]3C(=O)NC(C)C)[nH]c2c1 67649736 VFSNBBJQHUQPLP-WFASDCNBSA-N 375.498 1.416 0 50 GDAA CC(C)n1cc(C(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3CCN2CCCCC2)cn1 67696053 QTAHTURTSKBVPB-DLBZAZTESA-N 375.473 1.595 0 50 GDAA CCOc1ccc2nc(NC(=O)CN3CC[C@H](NC(=O)NC)C3)sc2c1 466932656 CGLGJWPMUHYNLA-NSHDSACASA-N 377.470 1.637 0 50 GDAA CC(C)Oc1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1CO 22852829 HWXWAYMWWXGSNZ-WOJBJXKFSA-N 377.529 1.149 0 50 GDAA CCOc1ccnc(N2CCN(C(=O)CCc3nc(-c4ccoc4)no3)CC2)n1 121489669 IPUQJNMFHRIPGA-UHFFFAOYSA-N 398.423 1.800 0 50 GDAA Cn1nc(C2CCN(C(=O)Cn3ccnc3)CC2)n(Cc2ccccc2)c1=O 67847026 FIBYTAVEYATWHB-UHFFFAOYSA-N 380.452 1.233 0 50 GDAA Cn1ncc2c1C[C@@H](C(=O)N1CCN(C(=O)Cc3ccccc3F)CC1)CC2 281937520 RJNANSQXXWJDRP-INIZCTEOSA-N 384.455 1.578 0 50 GDAA COc1cc(F)c(S(=O)(=O)N(C)C[C@H]2CCc3nccn3C2)cc1OC 328619327 FTAUPAXWGSKWNO-GFCCVEGCSA-N 383.445 1.923 0 50 GDAA O=C(c1nnc(N2CCN(C3CC3)CC2)n1C[C@H]1CCCCO1)N1CCCC1 328825950 JDJLSEPJEZOTCQ-QGZVFWFLSA-N 388.516 1.368 0 50 GDAA CC(=O)N1CCc2c(nc(C)nc2N2CCN(CCc3ccncc3)CC2)C1 71712157 DUKUKEFRQLOKHS-UHFFFAOYSA-N 380.496 1.449 0 50 GDAA Cn1ccnc1CN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71708177 DOYJKTKSCJMACF-IBGZPJMESA-N 396.539 1.808 0 50 GDAA COCc1ccccc1CNC(=O)CN1CCC(CCN2CCOCC2)CC1 363638929 LLHRCIRMJYUADL-UHFFFAOYSA-N 389.540 1.884 0 50 GDAA Cc1ncn(-c2cc(NCCNC(=O)c3ccc4c(c3)OCO4)ncn2)c1C 72437847 GAKGNNSUOCVLMA-UHFFFAOYSA-N 380.408 1.850 0 50 GDAA O=C1CCCc2cc(S(=O)(=O)N3CCN(Cc4ccon4)CC3)ccc2N1 173659630 MNEWKCGDKJBMLS-UHFFFAOYSA-N 390.465 1.456 0 50 GDAA C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 457438510 RMHFGLGCPJQOPK-CQSZACIVSA-N 384.436 1.312 0 50 GDAA C[C@H](N)[C@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 237543487 RZKXQHBMPNDFSM-DZGCQCFKSA-N 378.498 1.309 0 50 GDAA Cc1nc2c(c(C)c1CCC(=O)N1CCC(N3CCCC3)CC1)c(=O)[nH]n2C 174557064 BEZOBGUOIXCIEV-UHFFFAOYSA-N 385.512 1.898 0 50 GDAA CCc1n[nH]c(SCC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)n1 223947419 LYGYVURFECVAQA-CABCVRRESA-N 376.482 1.950 0 50 GDAA CCN1C[C@H](NC(=O)c2cccc(-c3cccc(OCC(N)=O)c3)c2)CC1=O 426649762 UHWZLLXTLQVFFN-QGZVFWFLSA-N 381.432 1.568 0 50 GDAA CSCCc1nc(Cc2c[nH]c(=O)n(C)c2=O)n(-c2ccccc2F)n1 96140320 JIWGCWALFAJXEP-UHFFFAOYSA-N 375.429 1.290 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)cc1 426430659 IMBTYEPJBQOOLF-KRWDZBQOSA-N 378.440 1.219 0 50 GDAA Cc1cc2c(cc1CN1C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C1)OCCO2 95382839 CTLHPHFELGBGEP-RTBURBONSA-N 375.513 1.054 0 50 GDAA O=C(c1cnccn1)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 96162701 XQNIIQLSONSDRT-UHFFFAOYSA-N 378.440 1.668 0 50 GDAA O=C(N[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cnc2ccccn2c1=O 97619110 WBOYQZVLOAWAGV-CYBMUJFWSA-N 382.445 1.791 0 50 GDAA Cc1ccnn1CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 91876800 KCOHCGHJZFWJDG-HXUWFJFHSA-N 384.484 1.389 0 50 GDAA CCc1n[nH]c(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 91906467 NBAKYFPUQZLVPH-GOSISDBHSA-N 377.514 1.710 0 50 GDAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NC[C@H](C)O)c1 95503044 JRRXJWUJTLBCMI-ZDUSSCGKSA-N 376.453 1.586 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2ccccn2)c1)N1CCOCC1 95378933 ZMMBZEJUODHNRK-UHFFFAOYSA-N 375.450 1.075 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 91563425 VQAVQZJXKONODY-QZTJIDSGSA-N 379.932 1.587 0 50 GDAA C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@H](CN)C1 299738427 AROSRLXDOFGTOW-RYUDHWBXSA-N 389.315 1.666 0 50 GDAA CCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1Cc1cccs1 299771302 XZDCEGCXBYDZAP-UHFFFAOYSA-N 389.521 1.891 0 50 GDAA COc1nccnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299794536 KDWFVVLKCQCDFD-QGZVFWFLSA-N 389.500 1.247 0 50 GDAA O=C(NCc1nc(-c2ccccn2)no1)[C@@H](c1cccnc1)N1CCOCC1 670457439 TXDRLBVUTMYSDZ-QGZVFWFLSA-N 380.408 1.216 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CCc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)CC(=O)NCCO2 1857693714 IXOAOSXGKYRUTE-UHFFFAOYSA-N 384.480 1.887 0 50 GDAA Cc1ccc(CN2CCOC3(CCN(CCn4cnnc4)CC3)CC2=O)cc1 1857703826 SSQPPOFLXFBIRR-UHFFFAOYSA-N 383.496 1.870 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)N(CCOC)Cc2c(C)nn(C)c2C)CC[C@H]1N 1857710006 CROHZFCMCSWLOF-QXAKKESOSA-N 380.533 1.935 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)N(C)Cc3ncc(C)[nH]3)CC2=O)s1 1857714248 XEOLFSFBQVNGDJ-LLVKDONJSA-N 378.458 1.118 0 50 GDAA c1ccc([C@H]2COC[C@H]3CN(CCCc4cnc5ncnn5c4)CCN23)cc1 1875243767 WMAYBVFNXQMBLR-WOJBJXKFSA-N 378.480 1.815 0 50 GDAA C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCN1 333901954 ZZQKMWGFLMIBNE-HLAWJBBLSA-N 385.556 1.729 0 50 GDAA O=C(O)CCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 263324105 SGFRQZZMCKFAEW-UHFFFAOYSA-N 381.860 1.750 0 50 GDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)c1csc(-c3ccccc3)n1)C2 1704335996 SCZOKXJIYYMJBJ-HIFRSBDPSA-N 387.461 1.668 0 50 GDAA O=C(NCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1118499 MPSBVVAKITXYAA-UHFFFAOYSA-N 395.868 1.686 0 50 GDAA O=C(NCCCO)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6729097 QYLSOENNABKARS-KRWDZBQOSA-N 376.478 1.739 0 50 GDAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)cc1OC 12094603 MUKJFWWJSXVWGU-QGZVFWFLSA-N 389.496 1.496 0 50 GDAA COc1cc(O)ccc1CN1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 12282550 ZQVKKIATHUPYRC-AWEZNQCLSA-N 387.484 1.884 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13008849 GLGWEPVGRHBVFF-UHFFFAOYSA-N 378.436 1.562 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCCc1ccc(F)cc1 15062357 XGERFLWOOXRJDM-KRWDZBQOSA-N 375.469 1.937 0 50 GDAA COc1ccc2cnn(Cc3nc4c5c(ncn4n3)CCC5)c(=O)c2c1OC 15081220 COFUCPQPXIEKSR-UHFFFAOYSA-N 378.392 1.388 0 50 GDAA COc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1 67603377 YOSYZISHVIRMHT-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CC(C)N1C[C@H](O)[C@@H](NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 67783717 QCRDHUVIDAZVAA-ZFWWWQNUSA-N 389.408 1.166 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CN3CCC(O)CC3)C2=O)c1OC 67842394 RQSRDZTVWXDEHH-HXUWFJFHSA-N 378.469 1.014 0 50 GDAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCNC(=O)CC2)nc1 67947332 DGEPHNLDBZTPGD-UHFFFAOYSA-N 384.484 1.548 0 50 GDAA C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 68199983 IWXUVYOOUMLUTQ-CZUORRHYSA-N 395.467 1.497 0 50 GDAA investigational COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3noc(C4CC4)n3)CC2)C1 71497550 BPBVAWJTGWZUFI-INIZCTEOSA-N 391.516 1.386 0 50 GDAA COc1cc(-c2nc(CN3CCS(=O)(=O)CC3)c(C)o2)cc2c1OCO2 72426400 YACDVZZSENUJSK-UHFFFAOYSA-N 380.422 1.618 0 50 GDAA CC(C)c1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)no1 77343372 YRKCIYKIBGKYLT-DTNKQSLVSA-N 388.468 1.732 0 50 GDAA Cc1nn(CC(=O)N[C@@H](C)c2nncn2C(C)C)c(=O)n1Cc1ccccc1 77353441 GIPKTMMYUFKULV-AWEZNQCLSA-N 383.456 1.451 0 50 GDAA CCn1c(-c2ccccc2)nn(CC(=O)NCc2cn3ccccc3n2)c1=O 77459412 DSHAENNXNZQQGW-UHFFFAOYSA-N 376.420 1.696 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc(N(C)C)cc3)cc2C1 82096911 CVIPCKASZKKBNJ-UHFFFAOYSA-N 384.484 1.766 0 50 GDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)C2(C)CCNCC2)C1 91390970 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COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C3)c1 96136525 DUCBPAYAWFZPJA-OAHLLOKOSA-N 383.496 1.606 0 50 GDAA COCCN(Cc1nccs1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C 96152652 LKMWNQQIPKHQKY-UHFFFAOYSA-N 384.483 1.779 0 50 GDAA O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1CCN(Cc2cccnc2)CC1 120754365 UGKAUOTWUAGHLU-LJQANCHMSA-N 394.475 1.736 0 50 GDAA CNC(=O)COc1cccc(CC(=O)NCc2ccccc2-n2ccnc2)c1 155743095 NECXPRJZRYCKAT-UHFFFAOYSA-N 378.432 1.856 0 50 GDAA O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1CCc2[nH]ncc2C1 164451885 OQMBEKHZFCDJDO-GOSISDBHSA-N 399.495 1.477 0 50 GDAA COC(=O)Cc1cc2c(cc1NC(=O)[C@@H](C)OC[C@H]1CCCO1)OCCO2 170600320 GXVSDKOVTNTBGE-TZMCWYRMSA-N 379.409 1.696 0 50 GDAA COc1ccccc1N1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 171212410 BRIYWWCZGGQZPY-UHFFFAOYSA-N 396.495 1.986 0 50 GDAA O=C(N[C@H]1CC12CCCCC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 180579388 GMAHNLKEEAGSFX-HNNXBMFYSA-N 382.486 1.554 0 50 GDAA CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3COCCN3CC(F)F)cc21 188318377 VSDBHNUOVIHDHP-AWEZNQCLSA-N 398.410 1.061 0 50 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Cc1nc(N2CC[C@@H](O)C2)c2c(n1)C1(CC2)CCN(C(=O)c2cnc[nH]2)CC1 1857690885 QMVBEECUSQZOIU-CQSZACIVSA-N 382.468 1.199 0 50 GDAA CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 1857690935 VRBBRXPXMYTIQY-FOIQADDNSA-N 390.459 1.152 0 50 GDAA CN1CC[C@]2(C(=O)NCc3cccc(F)c3)CCCN(C(=O)c3cc[nH]n3)[C@H]2C1 1857694274 IUPSFCCQAAJPFP-GHTZIAJQSA-N 399.470 1.792 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCc3nncn3C3CCCCC3)CC2=O)s1 1857717080 WEEDTMFUPYKTDG-GFCCVEGCSA-N 389.485 1.613 0 50 GDAA CC(C)(C)NC(=O)COc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857726896 FEYKKOTYTJCEAV-UTKZUKDTSA-N 387.480 1.513 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)N(C)CCc3noc(C(C)C)n3)CC2=O)s1 1857734510 KZJPBRIVAGYFMD-NSHDSACASA-N 378.458 1.407 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@H]1NC(=O)Cc1cccnc1 1875244905 ZYRYCUSSJWBLGZ-IPMKNSEASA-N 399.495 1.327 0 50 GDAA C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875315835 JPWALSRFFDSNIX-JTQLQIEISA-N 378.314 1.904 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)ncc3F)C2)C1 1875384367 GFCXTTCIQSHMQG-VXGBXAGGSA-N 381.839 1.389 0 50 GDAA CC(=O)N1CC2(C1)[C@H](C(=O)N(CC1CCCCC1)C1CC1)CCS2(=O)=O 1875393033 DLDKXENIAGRPSE-KRWDZBQOSA-N 382.526 1.593 0 50 GDAA O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ncoc2[C@@H]2[C@H]3CN[C@H]2C3)CC1 1875393381 LXEYHCBFDSYCQO-VNQPRFMTSA-N 384.411 1.487 0 50 GDAA CNC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C3CCCC3)cc1)C2 1875396021 SRKFWTGGEXUQFH-QGZVFWFLSA-N 390.505 1.720 0 50 GDAA CN(CCc1ccccc1)CC(=O)N1CC[C@@H](C2CC2)[C@@H]1c1nnc(O)n1C 1875400879 BDLPYTJLIBZPQF-PKOBYXMFSA-N 383.496 1.995 0 50 GDAA COCCN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325725417 OYSZTUONQMKEFF-UHFFFAOYSA-N 381.432 1.820 0 50 GDAA Cc1cc(C)cc(C2(C(=O)NCCn3cnc(-c4nc(=O)o[nH]4)n3)CCC2)c1 2325821826 DNSIIPLFYBOWAN-UHFFFAOYSA-N 382.424 1.476 0 50 GDAA CCn1ccnc1C(=O)N[C@@H]1CC2(CN(C(=O)C3(C(C)C)CC3)C2)n2ccnc21 2332237626 FDDFEJAMGJWNMT-OAHLLOKOSA-N 396.495 1.948 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3sccc3S(N)(=O)=O)C1)CC2 2356142507 VLWYKGANDWRJQK-QGZVFWFLSA-N 392.506 1.614 0 50 GDAA CCCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCn1cnnc1)C[C@@H]2O 2356138669 OTMYIGFVWUMVHM-KOUHRCEDSA-N 383.496 1.271 0 50 GDAA CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 4820381 CYGVMMNGSQDFKI-UHFFFAOYSA-N 387.889 1.075 0 50 GDAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 6703771 XIHJRJNHFKIGNW-UHFFFAOYSA-N 391.468 1.843 0 50 GDAA CC(=O)NC1CCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 55254616 FERCQSFAVBZRDX-UHFFFAOYSA-N 375.469 1.025 0 50 GDAA COC(=O)[C@]1(CC(C)C)N[C@H](c2cnn(C)c2C2CC2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65531101 UVMXVGLLDZOHOT-RDNQGFKOSA-N 388.468 1.131 0 50 GDAA OC1CCN(c2ccnc(N3CC[C@@H](c4ccc5c(c4)OCO5)[C@H](O)C3)n2)CC1 67654542 SOLCDIUQGHONEZ-DLBZAZTESA-N 398.463 1.521 0 50 GDAA Cn1cc(-c2ncc(C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)s2)cn1 136960168 UHEGHZYLSFPGLJ-ZDUSSCGKSA-N 375.498 1.774 0 50 GDAA CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 24609851 GOFFKHMFKWMABF-UHFFFAOYSA-N 383.489 1.142 0 50 GDAA CN1CCN([C@H]2CCc3c(c(C(=O)NCCc4ccccc4)nn3C)C2)CC1 23339595 GTGYKOCDUNVSIA-SFHVURJKSA-N 381.524 1.497 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3)no2)CC1 67613749 LZMAVLRIERRYQT-UHFFFAOYSA-N 378.454 1.415 0 50 GDAA O=C(CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522561 PEIYOIZEEVSPSH-UHFFFAOYSA-N 381.480 1.595 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 2808027 HIPOJISBWNSQIL-INIZCTEOSA-N 390.509 1.777 0 50 GDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 363454211 KNUZUKHOCQYHDR-MOPGFXCFSA-N 381.432 1.865 0 50 GDAA CCOCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71747775 NNTTUOLOOGHHBA-QGZVFWFLSA-N 388.512 1.437 0 50 GDAA CN1C(=O)C[C@H](C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@@H]1c1ccnn1C 367819957 AOCVMINUEFWMFT-BBATYDOGSA-N 385.399 1.602 0 50 GDAA COCc1nc(OC)c2c(C)c(C(=O)N3CCNC[C@@H]3C(F)F)sc2n1 367994820 VKJQRVAEWBYMQU-SECBINFHSA-N 386.424 1.834 0 50 GDAA C[C@H](NC(=O)[C@@H]1CCCc2sccc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 333492501 USDDFUFKUCQKTJ-SGMGOOAPSA-N 384.523 1.224 0 50 GDAA O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1F 333819719 IRQBXVRNNQWUAQ-UONOGXRCSA-N 376.837 1.306 0 50 GDAA Cc1cccc(-n2nc(Cc3ccccc3)n(CC(=O)N[C@@H](C)CO)c2=O)c1 77320425 AAZBPQPBWMHAHZ-INIZCTEOSA-N 380.448 1.430 0 50 GDAA COCc1nn(CC(=O)N2CCc3sccc3C2)c(=O)n1-c1ccccc1 77321033 GPDWMCLTRDLXEQ-UHFFFAOYSA-N 384.461 1.827 0 50 GDAA COC[C@H]1[C@@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@@H]2CCO[C@@H]21 222470114 UVFHMQICKOLKIQ-XUXIUFHCSA-N 381.372 1.913 0 50 GDAA Cc1occc1C(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 82120802 INLCVACSIHZMEG-UHFFFAOYSA-N 385.468 1.604 0 50 GDAA O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccncc1)C[C@H]1CCCO1 195466170 CLTYGNJQIYKATI-GOSISDBHSA-N 378.436 1.943 0 50 GDAA COC[C@H](NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12)c1ccnn1C 426691147 GQHLPTAXFBRDFT-NSHDSACASA-N 382.346 1.908 0 50 GDAA CCN(CC)C(=O)c1cccc(S(=O)(=O)N2Cc3cnn(CCO)c3C2)c1 95366138 NGDKCSSTZYBZDA-UHFFFAOYSA-N 392.481 1.062 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccc(O)c1)CC2 91679390 DCFPBZGWWPIQPC-UHFFFAOYSA-N 382.464 1.970 0 50 GDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCn1ccnn1 1506400975 ZCNABJLTYVKJJG-UHFFFAOYSA-N 391.331 1.832 0 50 GDAA CN(C)c1ccc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)cc1 96149907 PYELGJBGPAJHRB-IIBYNOLFSA-N 385.464 1.538 0 50 GDAA O=C(NCc1cccnc1N1CCOCC1)c1cnn(CCC(F)(F)F)c1 181821364 KYLQQHULAJVPDV-UHFFFAOYSA-N 383.374 1.997 0 50 GDAA COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)ncc(C(=O)OC)c1O 253623977 XEXYKCBIXGRXMM-GFCCVEGCSA-N 391.376 1.475 0 50 GDAA biogenic CS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCOC[C@H]3CO)c2)cc1 299783622 WPFUUUVIDNTAOD-QGZVFWFLSA-N 375.446 1.590 0 50 GDAA O=C(CCC(=O)N1CCC(OCc2ccccn2)CC1)Nc1nncs1 828084668 ACEQZURZOIJCFO-UHFFFAOYSA-N 375.454 1.860 0 50 GDAA Cc1nc(CN2CCC[C@@H](CNC(=O)CN3CCCN(C)CC3)C2)n(C)c1C 823778396 VJPSKZFRONPODH-IBGZPJMESA-N 390.576 1.003 0 50 GDAA O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1453907739 YVQSWQLRRSNENU-AWEZNQCLSA-N 380.372 1.689 0 50 GDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)CC1CCOCC1)C2 1875396098 VNOIZDDXQNYJGQ-GOSISDBHSA-N 399.539 1.751 0 50 GDAA Nc1cc(C(=O)OCc2nnc(-c3ccccc3O)o2)ccc1-n1cncn1 1875336998 NAULAQHKEHUYSS-UHFFFAOYSA-N 378.348 1.962 0 50 GDAA Cc1nc(C(F)(F)F)cc(=NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)[nH]1 1875398977 KQZQOPDVTLMXCW-VXGBXAGGSA-N 397.405 1.133 0 50 GDAA CN(C)CC1(C(=O)NC[C@H]2CN(C(=O)c3cc4cnccc4[nH]3)CCCO2)CC1 1875332491 VFZWWJVAFCBZIK-INIZCTEOSA-N 399.495 1.252 0 50 GDAA O=C1C[C@H](C2CN(C(=O)c3ccc(-c4cccc(Cl)c4)nc3O)C2)C(=O)N1 1875301447 KPUXQUSQWIKQTJ-CQSZACIVSA-N 385.807 1.842 0 50 GDAA CC(C)C[C@H](NS(C)(=O)=O)c1nc(-c2cnc(OCC(F)F)cn2)no1 1875270709 YDCXQHHSHWFBRF-VIFPVBQESA-N 391.400 1.807 0 50 GDAA CNc1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1875278846 NACRMTRMPKZBKP-AAEUAGOBSA-N 379.404 1.623 0 50 GDAA O=C(NCC1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1)[C@H]1CCCO1 952970816 UBACZKGAQSYIIE-GOSISDBHSA-N 398.463 1.313 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(c3cnccn3)C[C@@H]2O)c2ccc(F)cc2n1 1565513040 PTJSTMWZEZEBQD-WMZOPIPTSA-N 381.411 1.842 0 50 GDAA Cc1nc([C@H]2CCN(CC(=O)NCC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n[nH]1 412043219 PBIBBIKXDQCTHW-WFASDCNBSA-N 388.447 1.035 0 50 GDAA COc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)s1 170607577 AMIHELYIMMXUNH-UHFFFAOYSA-N 380.407 1.106 0 50 GDAA O=S(=O)(N1CCCC1)N1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506408796 PZPKXHMVKGLOBL-LJQANCHMSA-N 378.542 1.614 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(C(=O)c2cccc(O)c2)CC1 1529168858 OLDLZPPYSNZFGU-KRWDZBQOSA-N 389.452 1.688 0 50 GDAA CCCC(=O)N[C@@]1(C)CC2(CCN(C(=O)Cc3cc(C)no3)CC2)OC[C@@H]1O 1704307589 AZBFAEGRHHEYGD-LPHOPBHVSA-N 393.484 1.343 0 50 GDAA Cc1nc[nH]c1CN(CCO)C(=O)[C@H](CC(C)C)NC(=O)c1cccs1 1704316670 ZNIBCXDNWPGMSY-AWEZNQCLSA-N 378.498 1.945 0 50 GDAA CCc1cnc(N)nc1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1704330213 FQFKIFWHYNDMGY-UHFFFAOYSA-N 377.470 1.141 0 50 GDAA O=C(COc1cccc(F)c1)N1CCCN(c2nnnn2-c2ccccc2)CC1 1772808995 IBVZJRVFQHFETJ-UHFFFAOYSA-N 396.426 1.919 0 50 GDAA CCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 11933735 HTMXEGUGTHQYCO-GOSISDBHSA-N 377.485 1.653 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCn2nccc2C)CC1 12454987 WSHXURFNVRCFEF-FQEVSTJZSA-N 392.544 1.948 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Nc3cccc(F)c3)C[C@H]12 14732897 DRCTWUGWQOWTKQ-QZTJIDSGSA-N 396.422 1.612 0 50 GDAA O=C(NCCCN1CCC[C@H](O)C1)c1cn(Cc2ccc(Cl)cc2)nn1 15074643 KKJBVOCAFJZASZ-INIZCTEOSA-N 377.876 1.556 0 50 GDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(CN2CCOCC2)c1 19530267 CPAHFQWYFZDYOJ-SFHVURJKSA-N 389.452 1.718 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1ccc(C)n(C)c1=O)C[C@@H](C)O[C@H]2C 1857528287 RUQAUWJJZFSCNH-KGLIPLIRSA-N 388.468 1.489 0 50 GDAA Cc1ccccc1S(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2CC2)C1 1857690621 HLSSLJMGNVSMAR-LPHOPBHVSA-N 377.510 1.549 0 50 GDAA C[C@@H](O)CNC(=O)c1cc2c(s1)C1(CCN(c3cnccn3)CC1)OCC2 1857704916 LAJDSZSQTKGQQR-CYBMUJFWSA-N 388.493 1.717 0 50 GDAA Cc1nn(CCC(=O)N2CCC([C@H](O)CN3CCOCC3)CC2)c(C)c1C 1857730297 PVIAUDYTBIAJMG-LJQANCHMSA-N 378.517 1.130 0 50 GDAA COCC(=O)N1CC[C@@]2(O)CCN(CCOc3cccc(C)c3C)C[C@H]2C1 247850635 RLVJXHNJJFFRKY-RXVVDRJESA-N 376.497 1.614 0 50 GDAA COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(C)nn2C)c(OC)c1 367047323 HUAQYFLENJXDGN-QGZVFWFLSA-N 386.452 1.667 0 50 GDAA C[C@@](O)(CN1CCc2c(cccc2C(N)=O)C1)c1ccc(S(C)(=O)=O)cc1 852754815 MPLRWVJYGSFJPD-HXUWFJFHSA-N 388.489 1.455 0 50 GDAA Cc1cccc2nc(COCC(=O)N3C[C@@H](O)[C@H](Cc4ccncc4)C3)[nH]c12 2100534598 PBJJFHMAWUHIKC-SJLPKXTDSA-N 380.448 1.845 0 50 GDAA O=C1NC(=S)NC(=O)C12[C@H](c1ccccc1)NC(=S)N[C@@H]2c1ccccc1 13496723 UPVOZJUUXROJCG-OKILXGFUSA-N 396.497 1.464 0 50 GDAA Cn1c(=O)c2c(nc(NC[C@@H]3CCCO3)n2Cc2ccc(F)cc2)n(C)c1=O 789706 VWFBEGVPUAKDJS-AWEZNQCLSA-N 387.415 1.212 0 50 GDAA biogenic COC(=O)c1c(I)c2ccccc2n1S(C)(=O)=O 1402193 IMUVQBGNXFLPCW-UHFFFAOYSA-N 379.175 1.840 0 50 GDAA COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(C)c1 2242349 OFEIIIYZYCINTN-QGZVFWFLSA-N 381.432 1.973 0 50 GDAA CCc1nnc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)s1 2885282 BUSFNKOIGUWXID-UHFFFAOYSA-N 377.455 1.816 0 50 GDAA COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1 3615103 ZNZKVPKZLVCBGE-FQEVSTJZSA-N 399.447 1.978 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccc(Br)c1 4124238 WKJCWCYWGAZBJM-CFAJVAMVSA-N 399.237 1.835 0 50 GDAA COc1ccc(Cl)cc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 10111394 SIJRTNDEIFKEJJ-UHFFFAOYSA-N 377.894 1.183 0 50 GDAA COC(=O)c1ccc(N2CCN(C(=O)c3cn(C[C@H]4CCCO4)nn3)CC2)cc1 12373329 DUHZXJFLXBEWPD-QGZVFWFLSA-N 399.451 1.206 0 50 GDAA CC(=O)NCCNCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 12453888 VMNDUGDKANMFMX-JOCHJYFZSA-N 397.519 1.710 0 50 GDAA O=C1CN(Cc2cn(CC3CCN(c4ncccc4Cl)CC3)nn2)CCN1 23544056 SCFMZHKLTPZROQ-UHFFFAOYSA-N 389.891 1.175 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)Cc3ncc[nH]3)C2=O)c1 67679014 HJJHCSGGMAPRAV-LJQANCHMSA-N 376.432 1.543 0 50 GDAA Cc1ncc(CC(=O)NCc2cccnc2N2CCc3ccccc3C2)c(=O)[nH]1 67804258 XWIXZEZYVBRMQO-UHFFFAOYSA-N 389.459 1.895 0 50 GDAA CSc1nc2nc(C)c3c(=O)n(-c4nc(C(F)(F)F)n[nH]4)ccc3n2n1 72437324 VPSHLSIJITZBRY-UHFFFAOYSA-N 382.331 1.596 0 50 GDAA COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)ccn1 72456829 BKLALEPEVANZGS-DOTOQJQBSA-N 383.452 1.509 0 50 GDAA CC(=O)NCCC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72477883 FKVLVVMCZUNGNS-INIZCTEOSA-N 376.505 1.033 0 50 GDAA CCCN1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 77505767 GNKFXEHEMADRPD-CABCVRRESA-N 386.901 1.682 0 50 GDAA COc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)ccn1 91270401 NCGCUQQGKQGKGX-UHFFFAOYSA-N 397.479 1.901 0 50 GDAA CCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H](C)O)c2)nc1 95357212 NYEUTAGDXXWGBY-CYBMUJFWSA-N 377.466 1.233 0 50 GDAA CCN(C)C(=O)c1cccc(S(=O)(=O)N(C)CCn2nc(C)cc2C)c1 95375270 QLGBLOVSYFWYJZ-UHFFFAOYSA-N 378.498 1.913 0 50 GDAA COCc1cc(CN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)ccc1OC 95376246 LHZVWEFSVNLWNW-OAQYLSRUSA-N 375.513 1.970 0 50 GDAA NC(=O)CCN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95509194 KCTVAIWLOYUFAA-HXUWFJFHSA-N 386.540 1.698 0 50 GDAA OCCN1CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 95510982 DHCLTWXKGOEJKV-OAQYLSRUSA-N 391.556 1.412 0 50 GDAA COCCN1C[C@@H]2CN(C3CCN(Cc4ccccn4)CC3)C[C@]2(C(=O)O)C1 96162664 KEGUKDQJHUBQNR-DYESRHJHSA-N 388.512 1.011 0 50 GDAA O=C(CCn1c(CO)nc2ccccc21)N1CCC(Oc2ncccn2)CC1 97654145 BTYUPOZBGNCEGQ-UHFFFAOYSA-N 381.436 1.779 0 50 GDAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cnccn4)ccn3n2)cc1C 169775974 VLZMWNUPIJYISP-UHFFFAOYSA-N 388.431 2.000 0 50 GDAA COC(=O)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC)c(O)c1 170598324 COAHLBYSNMFVJT-INIZCTEOSA-N 393.417 1.448 0 50 GDAA CN(Cc1nnc[nH]1)C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 178690791 OYEXGGKTKXKVHD-LBPRGKRZSA-N 377.832 1.344 0 50 GDAA CC(C)(C)C(=O)Cn1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)nn1 189296737 RCBUKSVUYXNHEC-UHFFFAOYSA-N 379.424 1.694 0 50 GDAA CN1CCCN(C(=O)c2cccnc2Sc2nnnn2-c2ccccc2)CC1 214075391 QCMSDGUNHSDIIY-UHFFFAOYSA-N 395.492 1.986 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCO1 262403294 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CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CC(F)F)C2)c1 416341831 YHRKLCGEYSBZTE-ZDUSSCGKSA-N 375.441 1.443 0 50 GDAA COc1cc(CC(=O)N2CCC[C@H](N(CC(=O)O)C(C)=O)CC2)ccc1C 460594903 GEVZIBMLGGNLCH-KRWDZBQOSA-N 376.453 1.860 0 50 GDAA CCOC(=O)c1c(NC(=O)Cn2ccsc2=O)sc(C(=O)N(C)C)c1C 463207539 BLWQHNQVWLNXLQ-UHFFFAOYSA-N 397.478 1.797 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)ccc1O 670433734 GNEVDGQCRAZNLB-LLVKDONJSA-N 394.405 1.267 0 50 GDAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CCN1 825169509 MLTCLSMUEVGRIS-IBGZPJMESA-N 377.448 1.666 0 50 GDAA Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cc(Cl)n1 832190942 HGHHLQLFOPEEDX-RISCZKNCSA-N 390.875 1.108 0 50 GDAA O=C(C1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088505 CVYKPZJYKRRWQO-RYQLBKOJSA-N 383.496 1.552 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 900666373 UJRBPTRCFWBUQV-XNJGSVPQSA-N 382.302 1.599 0 50 GDAA CC(=O)c1c(C)nn(CCC(=O)N2CCN(c3ncnc(C)c3C)CC2)c1C 952969227 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CN1CC[C@H](n2cc(C(=O)Nc3ccc(-n4ccccc4=O)cc3F)nn2)C1 2325757490 CQKLAZIBNKIJKH-AWEZNQCLSA-N 382.399 1.697 0 50 GDAA CCc1cnc(CN2C[C@@H](CC(=O)N[C@H](C)C3(CO)CC3)OCC23CCC3)[nH]1 2325785410 XCJRAHDOPKXQEF-NVXWUHKLSA-N 390.528 1.763 0 50 GDAA CO[C@@H]1C[C@H](CN=c2cccc(-n3ccnc3C)[nH]2)N(c2cc(C)ncn2)C1 2325802633 QYRDTFBPYKERDR-IAGOWNOFSA-N 379.468 1.802 0 50 GDAA O=C(N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)O)[C@@H]1CCn2c(Br)cnc2C1 2325828682 ODQXAJYWWLWSJW-DIKVHPTHSA-N 380.242 1.433 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)Cc2nnc(C3CC3)n21 2356140488 KWZNVTQVMTYKJV-NSHDSACASA-N 376.438 1.692 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC[C@H]1O 2356163401 BHIPAQXRCNZTQT-OXQOHEQNSA-N 387.436 1.169 0 50 GDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356147848 SUFCTAWQQXRWNC-UYAOXDASSA-N 395.507 1.527 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)cc1C 4488077 PBEZLOPUJIHNPU-UHFFFAOYSA-N 384.498 1.293 0 50 GDAA COC(=O)c1ccccc1NC(=O)CS(=O)(=O)CC(=O)Nc1ccccc1 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C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485856943 GHQJWLGBPUABTO-ACJLOTCBSA-N 395.415 1.089 0 50 GDAA O=S(=O)(NCCc1csc(-c2ncccn2)n1)NCc1ccccc1 72147487 CTRXQIMZPFQWIN-UHFFFAOYSA-N 375.479 1.767 0 50 GDAA CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 331772096 FEMBYQCXRINZPC-AEFFLSMTSA-N 389.471 1.734 0 50 GDAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)C[C@@H](C(=O)NCc3ccncc3)C2)ccc1O 72129610 WRBLFCGCWXLSBZ-SJORKVTESA-N 397.431 1.575 0 50 GDAA Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1Cl 242183924 XDAUMOHMXKVLKH-LZWOXQAQSA-N 399.900 1.994 0 50 GDAA O=C(Nc1cnc(N2CCNCC2)nc1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 333306913 LCKFPCXOFSEEGW-BQFCYCMXSA-N 385.516 1.224 0 50 GDAA Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)c(C)c1 245237685 QWGJUYIBLUDOPQ-ZMSDIMECSA-N 379.482 1.649 0 50 GDAA C[C@@H](NC(=O)N(C)C1CCS(=O)(=O)CC1)c1nc(-c2ccccn2)no1 426371045 NLBOOMVMXHZDRM-LLVKDONJSA-N 379.442 1.411 0 50 GDAA Nc1nccc(C2CCN(C(=O)Nc3cc(F)c4c(c3)NC(=O)CO4)CC2)n1 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COc1ccc(CCn2ccc3nc(N4CCOCC4)ncc3c2=O)cc1OC 13638625 YBUVPHPTZQADIH-UHFFFAOYSA-N 396.447 1.888 0 50 GDAA O=C(NC1CC1)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1 15007247 QMGGCTZYBAEVTK-HOCLYGCPSA-N 397.475 1.957 0 50 GDAA COCCCNC(=O)c1cc2c(s1)CCOC21CCN(CC(=O)O)CC1 1857668376 BMWKVQTZHIRQJT-UHFFFAOYSA-N 382.482 1.463 0 50 GDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCc3[nH]nc(C4CC4)c3CC2)C1 1857700368 AQYYUROJYBFHQY-CQSZACIVSA-N 396.513 1.208 0 50 GDAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857708742 LPDOHDHGIWVBDP-QRWLVFNGSA-N 380.404 1.787 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCc4n[nH]c(C)c4C3)CC2=O)s1 1857718134 AGFMZRQPSXRZJE-NSHDSACASA-N 390.469 1.044 0 50 GDAA OC[C@]1(Cc2ccc(F)cc2)CN(c2cc(-n3cccn3)ncn2)CC[C@@H]1O 1857725519 ZYIJUUIRKKKYJA-PXNSSMCTSA-N 383.427 1.594 0 50 GDAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)C1 249464762 GUDFNYODQRMGOX-BADIZGMRSA-N 389.540 1.185 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)c2ccccc2OCC(=O)N(C)C)c1 363181633 DKYKHUVRDFSVRI-UHFFFAOYSA-N 380.408 1.690 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O 363286648 ODUZDANKLHZGRK-RHSMWYFYSA-N 381.432 1.735 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1NC(=O)c1ncc[nH]1 2100545015 FJQSVDFLMDOPPQ-NUEKZKHPSA-N 378.473 1.399 0 50 GDAA CCCn1nc(CC(N)=O)nc1[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 2100545389 SGDHJJSQCYMPQJ-MOPGFXCFSA-N 385.468 1.766 0 50 GDAA O=C(N=c1nc[nH]n1-c1ccc(C(F)(F)F)cn1)c1cnn2c1CC(F)(F)C2 2325792559 SFXIJLGZTGFJSO-UHFFFAOYSA-N 399.283 1.743 0 50 GDAA O=C(N[C@H](CNC(=O)[C@@H]1CCNC1=O)c1ccccc1)c1onc2ccccc12 2325860777 UCOZPJAPJJHEOG-NVXWUHKLSA-N 392.415 1.551 0 50 GDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@H]4C4CC4)ccc3C2=O)C(=O)N1 2325890736 BZOOOSXNHJBAJX-ROUUACIJSA-N 395.459 1.852 0 50 GDAA Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(C)(C)F 2332238058 XDHOZBHESFBVMB-BZUAXINKSA-N 396.484 1.376 0 50 GDAA COc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1 1131993 QGBQEHMPETZWJO-UHFFFAOYSA-N 386.451 1.876 0 50 GDAA C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)CN1CCCC1 55539555 VHCKPEOFLOOGLW-HZPDHXFCSA-N 399.582 1.997 0 50 GDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 55212057 SEIHIBPQOTZDJK-OAHLLOKOSA-N 381.498 1.424 0 50 GDAA C[C@H](NS(C)(=O)=O)C(=O)Nc1ccccc1C(=O)N(C)c1ccccc1 55358821 NYIFPQIAYVMKQF-ZDUSSCGKSA-N 375.450 1.839 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCCn1ccnc1)CO2 67674215 YPGFULLKVUJEGU-MRXNPFEDSA-N 385.468 1.379 0 50 GDAA COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)NCCc2c[nH]cn2)cc2c1OCO2 102392212 XGQOIRPAMAVVGQ-HWWDLCQESA-N 384.436 1.184 0 50 GDAA Cn1nc(C2CCN(C(=O)c3ccnc(N)c3)CC2)n(Cc2ccccc2)c1=O 67954584 DRMKIZITEIEQCN-UHFFFAOYSA-N 392.463 1.627 0 50 GDAA CCc1n[nH]cc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67773981 TXTCZAWZMGIONE-MRXNPFEDSA-N 387.528 1.911 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC[C@@H]1c1ccc(F)cc1 23339626 HCVAOVIAJOWMKJ-QGZVFWFLSA-N 388.447 1.398 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccncn3)c2)CC1 23375522 FDDLPEHKPGBFRF-OAQYLSRUSA-N 399.539 1.486 0 50 GDAA CCNC(=O)c1ccc(N2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)nn1 478424417 BVMGBAVFVUQVAL-OAHLLOKOSA-N 399.499 1.166 0 50 GDAA COCCCNc1nc2nonc2nc1N1CCC[C@@H](CN2CCOCC2)C1 20451654 JOYBDUMPQHZDQD-AWEZNQCLSA-N 391.476 1.010 0 50 GDAA CC[C@H](CN(C)C)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67856060 LCMJSEYHHPKZCI-GOSISDBHSA-N 389.544 1.771 0 50 GDAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3cnccn3)C2=O)c1 281759680 CLZSHVALZPRRKJ-SFHVURJKSA-N 388.449 1.416 0 50 GDAA Cc1ccc(F)cc1S(=O)(=O)NCCNc1ccc(-n2cccn2)nn1 65364447 QSDGVAUHCCZELG-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 61721535 NJJLZCQXNKXBNC-UHFFFAOYSA-N 394.431 1.861 0 50 GDAA O=C1OCc2ccc(S(=O)(=O)N3C[C@@H](CO)[C@H](c4ccsc4)C3)cc21 328608727 BDBDYELQHPKRLP-BBRMVZONSA-N 379.459 1.815 0 50 GDAA CN(Cc1nc(C2CC2)no1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 328635960 NVBULHRCTOQFPG-KBPBESRZSA-N 375.452 1.852 0 50 GDAA O=C(NCc1ccccn1)[C@H]1CN(c2nccc(CCC(F)(F)F)n2)CCN1 72158473 OVSPARBOMFPPHT-OAHLLOKOSA-N 394.401 1.461 0 50 GDAA COc1ccccc1CN1CCN(Cc2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 72428163 OUDWEEFHADBVLT-ZWKOTPCHSA-N 390.509 1.210 0 50 GDAA Cc1sc(=O)n(CC(=O)N2CCCC[C@H]2COC(=O)N2CCOCC2)c1C 367430754 QPJJMZXBLDVOTP-HNNXBMFYSA-N 397.497 1.377 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@H](c3ccccc3)n3cnnn3)CC2)c1 71375804 QXISSNUPCNDAIV-IBGZPJMESA-N 378.436 1.620 0 50 GDAA CC1(C)C(=O)NCCN1C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15078195 RGFJQIKNPQRFMI-IBGZPJMESA-N 381.423 1.029 0 50 GDAA c1cncc(Cc2nnc3n2CCN(Cc2cc4n(n2)CCCNC4)CC3)c1 72158485 PJBQXKYMWZDAGW-UHFFFAOYSA-N 378.484 1.012 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1 222942533 KXFWLOIOIUTOFN-SJORKVTESA-N 382.482 1.762 0 50 GDAA C[C@@H](NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1nc(N)n[nH]1 426582771 HDXUOXVBNJFUJF-LLVKDONJSA-N 392.419 1.548 0 50 GDAA Cn1cc([C@H](NC(=O)CCn2c(CO)nc3ccccc32)C2CC(O)C2)cn1 220116144 SRORSUCEECJCJU-ZNQCYWAISA-N 383.452 1.281 0 50 GDAA CCN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)CC1=O 95499066 MRZSMUPVLOUVQD-SFHVURJKSA-N 381.480 1.901 0 50 GDAA COCCC(=O)Nc1ccc2c(c1)CN(C(=O)[C@@H]1NCCc3[nH]cnc31)CC2 95508298 ACLNOVLITXWDQZ-LJQANCHMSA-N 383.452 1.156 0 50 GDAA CCC1(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCNC3=O)c2)CCC1 97784822 SMUVVLMPODJUBZ-HNNXBMFYSA-N 379.482 1.164 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)CN1CCc1ccccn1 91724358 NBSZLMAHHMJKMP-NRFANRHFSA-N 379.464 1.959 0 50 GDAA CCN1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)CC1 97657357 HBRMCKITTDCZLX-DOTOQJQBSA-N 376.526 1.824 0 50 GDAA O=C1CCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CN1CCc1ccccc1 91664336 MCTJHNOQMXUUHN-UHFFFAOYSA-N 394.475 1.857 0 50 GDAA CN(Cc1ccccc1)C(=O)CCN1CCN(c2ccc3nccn3n2)CC1 244678715 IIUBBQXTHGZUFX-UHFFFAOYSA-N 378.480 1.900 0 50 GDAA CCn1c(C)ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](NC(C)=O)C[C@H]23)c1=O 534671362 QEGOGKNFBZFLIC-OXFYSEKESA-N 375.469 1.465 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)N(C)Cc2nccs2)cc1 534649896 CRFYWLXIPIZNDT-UHFFFAOYSA-N 382.511 1.962 0 50 GDAA Cn1cc(Cl)cc1C(=O)N[C@@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@H]1O 1940197644 FPEGOZBBXMKRPG-XGWLTEMNSA-N 390.871 1.302 0 50 GDAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4ccccc4S(N)(=O)=O)c(=O)n1c23 299738242 MCFDPKDKRSNLKI-JTQLQIEISA-N 399.428 1.724 0 50 GDAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCCN(CC(N)=O)C2)cc1 824668753 ODVALOAUFKEABX-SFHVURJKSA-N 396.491 1.816 0 50 GDAA COCCCn1cnnc1CNS(=O)(=O)c1ccccc1C(F)(F)F 670464477 QMQXGAPTIWSGSR-UHFFFAOYSA-N 378.376 1.812 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cn(C4CCC4)nn3)C2)c1C 1875396838 FJYHZKRPUMVVBN-OAHLLOKOSA-N 398.515 1.480 0 50 GDAA CN1CCC(n2nnc3c2C[C@H](c2nc(-c4cc(O)ncn4)no2)CC3)CC1 952891900 AKKYWVGYEJKOQK-LLVKDONJSA-N 382.428 1.363 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC(CNC(=O)CCn2cnc3ccccc32)CC1 952988399 DGSZDMBTBVKMFB-UHFFFAOYSA-N 395.467 1.522 0 50 GDAA COCC(=O)N1CCN(C(=O)NCCc2ccco2)CCC12CCOCC2 1775961367 WAHOYSPELGQSFQ-UHFFFAOYSA-N 379.457 1.262 0 50 GDAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O 408469527 SHBSZFAGVYCQCD-AKHDSKFASA-N 392.521 1.992 0 50 GDAA CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3ncnn3C)cc2)CC1 170598628 BYZVKPBXQCLJKR-UHFFFAOYSA-N 399.498 1.037 0 50 GDAA CC[C@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 170597816 ZKXDRSRKKHJFAS-HIFRSBDPSA-N 381.498 1.515 0 50 GDAA Nc1nc(Cl)cc(NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 776431766 SCVLDYJOTYGCNL-UHFFFAOYSA-N 383.739 1.916 0 50 GDAA O=C(NCC1CCN(CCN2CCOCC2)CC1)c1ccc(-n2cccn2)cc1 1506402014 IDBXCQQYEQPMKR-UHFFFAOYSA-N 397.523 1.646 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCc2cccnc2)cc1OC 1529173674 OVAHXQHEGMJGDE-TZIWHRDSSA-N 386.448 1.992 0 50 GDAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(C(=O)O)ccc3OC)C[C@@H]21 1704336468 WSOMEOHYVLTYHY-QWQRMKEZSA-N 383.466 1.955 0 50 GDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)c3cnsn3)C2)c1 11843556 BWUCGWWTWPUUAY-GFCCVEGCSA-N 390.465 1.838 0 50 GDAA O=C(COc1ccccc1)N1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12281681 FDPLNZVILKQCQU-QGZVFWFLSA-N 397.479 1.832 0 50 GDAA O=C(NCCCN1CCOCC1)c1cn(Cc2cccc3ccccc23)nn1 15064818 BHAZPGGLMVUIIH-UHFFFAOYSA-N 379.464 1.932 0 50 GDAA COc1ccc(N2CCN(C(=O)c3nn(C)c4c3C[C@@H](C)O[C@H]4C)CC2)nc1 1857532924 SRVWGKUFEFVTHL-KGLIPLIRSA-N 385.468 1.808 0 50 GDAA COc1cc(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc(OC)c1OC 1857718655 ZHUQCZRNCUOXJW-BPUTZDHNSA-N 378.469 1.623 0 50 GDAA COCCN1C(=O)C[C@@H](CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H]1c1cnn(C)c1 328634243 TWKHGAPNPWKDPD-PKEBMLEUSA-N 376.501 1.359 0 50 GDAA Cn1cc(-c2ccnc(C3CCN(C(=O)Nc4cccn(C)c4=O)CC3)n2)cn1 1261646877 ZJVXTBBHRCDTBC-UHFFFAOYSA-N 393.451 1.987 0 50 GDAA C=CC(=O)NCC(=O)N1CCC[C@H](c2n[nH]cc2I)C1 2325787008 TZJSXILULYPZFB-VIFPVBQESA-N 388.209 1.023 0 50 GDAA Cc1noc([C@@H]2CN(C3CN(C(=O)c4cc5n(n4)[C@@H](C)CCC5)C3)CCO2)n1 2325792449 FCJHWGKLRDLORC-SJCJKPOMSA-N 386.456 1.370 0 50 GDAA O=C1CC[C@H](N2Cc3cc(C(=O)NCC4(F)CCCC4)ccc3C2=O)C(=O)N1 2325887708 AWHYGQSKKLTHOT-HNNXBMFYSA-N 387.411 1.460 0 50 GDAA O=C(CCCC1CC1)N[C@@H]1CC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)n2ccnc21 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COc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(OC)cc1Cl 6702201 KMKIKJNOYANPEJ-JTQLQIEISA-N 376.862 1.967 0 50 GDAA NC(=O)[C@@H]1CN(Cc2c(Br)cncc2Br)CCO1 225420274 HZWHSQKIJMNMHX-JTQLQIEISA-N 379.052 1.293 0 50 GDAA Cc1noc2ncnc(N3CCN(C4CCN(C(C)C)CC4)[C@@H](CCO)C3)c12 106979790 BMYXHTYQLFODSR-KRWDZBQOSA-N 388.516 1.672 0 50 GDAA O=c1nc2n(nc1-c1ccccc1)[C@]1(CCS(=O)(=O)C1)Nc1ccccc1-2 170620103 IQNJRILRLCKZND-IBGZPJMESA-N 380.429 1.869 0 50 GDAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)OC[C@H]1CCCO1 248334523 LRVPMZYFDZNSTO-BNDIWNMDSA-N 375.343 1.694 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2cccc(F)c2)cc(-n2cccn2)n1 65361979 CJGDASUAOHDJDX-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA COC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(-c2ccccn2)s1 65386203 CKZNAKPUPSUZOP-WCQYABFASA-N 382.463 1.497 0 50 GDAA COc1cc(Cc2noc(CCc3ccn(C)n3)n2)ccc1S(C)(=O)=O 350513474 SCFWBJCICSAXQK-UHFFFAOYSA-N 376.438 1.591 0 50 GDAA Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 65363764 GKJXUYGAUSGSQY-HNNXBMFYSA-N 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FEHGOUYMNHXGFD-CDAZIORVSA-N 382.770 1.823 0 50 GDAA CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)NC(=O)N[C@]1(O)C(F)(F)F 4183790 WJTQLKCPGBCRIV-COPLHBTASA-N 376.287 1.199 0 50 GDAA COc1cc(CNCCc2ccco2)ccc1OC[C@H](O)CN1CCOCC1 11838762 IZLMJVPDZXWQMT-GOSISDBHSA-N 390.480 1.692 0 50 GDAA COc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3nonc3C)CCC2=O)cc1 11874315 ASLFWBAXGHDQQI-INIZCTEOSA-N 386.452 1.826 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1 12245983 QJFUIKODRNADMA-ZDUSSCGKSA-N 396.473 1.047 0 50 GDAA COCCNC(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C 12470564 XIEANASEXIYNPE-UHFFFAOYSA-N 391.497 1.800 0 50 GDAA O=C(CC[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1)N1CCCC1 12585414 UBRPPOPAHVPSTI-MRXNPFEDSA-N 397.475 1.924 0 50 GDAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCC1(C)COC1)C2 14537605 MTNJGXQYOKTXPN-OAHLLOKOSA-N 386.471 1.973 0 50 GDAA O=C(CCn1cnnn1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 15065923 OFJQAGRPRRCLNP-LJQANCHMSA-N 390.438 1.856 0 50 GDAA O=C(NCc1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 19933474 XJKGSSSXPLJVAX-UHFFFAOYSA-N 397.431 1.502 0 50 GDAA O=C(NCCC1=CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20995455 PVQWVEKMNLPUDA-IBGZPJMESA-N 377.529 1.954 0 50 GDAA CCn1nccc1NC(=O)Cn1cc(-c2cccc(N3CCNCC3)n2)cn1 23311709 CJIVQDDEMQRXCO-UHFFFAOYSA-N 380.456 1.210 0 50 GDAA CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 23421606 ODLDOSULDNFUQR-UHFFFAOYSA-N 399.944 1.951 0 50 GDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCC[C@H](C(=O)O)C2)n1 49545183 JWGYIDAZKDVLMV-LBPRGKRZSA-N 389.383 1.381 0 50 GDAA CN1CCC(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 65363663 REFVQMVHTXBDAV-UHFFFAOYSA-N 394.324 1.970 0 50 GDAA Cc1cccc(-c2ncc(CN3CCN(c4cc(=O)[nH]c(N)n4)CC3)cn2)c1 65396555 HPPJTUYJYIOPHI-UHFFFAOYSA-N 377.452 1.440 0 50 GDAA COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 67629532 XNGRHGBRTYWTCX-AWEZNQCLSA-N 399.513 1.097 0 50 GDAA CCN1C[C@@H](CN(C)c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1=O 67896417 MHCHAAMRWBZKHB-CYBMUJFWSA-N 376.482 1.646 0 50 GDAA Cc1cnc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cn1 71714602 DHBQEWOTHHJEMY-QGZVFWFLSA-N 385.512 1.514 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(CO)o1)CCN2Cc1ccccc1 72418825 DXENEMGVXYVKPR-MOPGFXCFSA-N 376.478 1.255 0 50 GDAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)n[nH]1 77426520 XISIEZOFQQBMPG-NTLWEQJWSA-N 393.447 1.054 0 50 GDAA Cc1ccc(CNC(=O)CCN2CCOC[C@@](O)(CN3CCCC3)C2)cc1 77520580 YJKQEXBWLHYZLL-OAQYLSRUSA-N 375.513 1.160 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)NCCc1ccccc1F)CCN2C 91625605 ZCROMLGYTWGHSL-FQEVSTJZSA-N 376.476 1.706 0 50 GDAA CSc1nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cs1 91645527 QVFGIFBYBORRSA-ZBFHGGJFSA-N 398.598 1.716 0 50 GDAA CN(C[C@@H]1COCCO1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 95360451 TYWFVKWEXYEYLF-MRXNPFEDSA-N 382.482 1.395 0 50 GDAA CCn1cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)cn1 95498209 KZAUMSCFLDXVDW-CQSZACIVSA-N 394.439 1.370 0 50 GDAA O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)c1cc(-c2ccccc2)on1 126773295 PQZOQWRHLMQGBI-UHFFFAOYSA-N 381.392 1.649 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 155853979 YDTKZUUHBSNRMF-OCCSQVGLSA-N 380.474 1.373 0 50 GDAA O=C(CNC(=O)c1ccc(F)cc1)NCc1ccccc1CN1CCC(O)CC1 176036491 SEORJIFJTIGMML-UHFFFAOYSA-N 399.466 1.829 0 50 GDAA COCCN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1=O 225760023 UHMLGWDDOBBEJQ-GJZGRUSLSA-N 397.516 1.633 0 50 GDAA COCc1nnc(NC(=O)CN2CCN(c3ccccc3)C(=O)[C@@H]2C)s1 252485253 GPPFLVHKXAXYNT-LBPRGKRZSA-N 375.454 1.360 0 50 GDAA C[C@H](O)c1ncc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1 253404756 DYDVRMKSFRPVFH-LBPRGKRZSA-N 392.456 1.732 0 50 GDAA O=C([C@@H]1CCCN(c2ncccn2)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253404831 HZJCZNKSQCMUHC-ZACQAIPSSA-N 379.464 1.501 0 50 GDAA biogenic CNS(=O)(=O)c1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 268909301 FOFNCWKJMUCDJA-XIRDDKMYSA-N 394.493 1.772 0 50 GDAA COc1ccc(C(=O)O)c(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 269685630 SPZKMECOCBOTTM-UHFFFAOYSA-N 381.410 1.742 0 50 GDAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2sccc2OC)C1=O 275349639 TVQCBHYMIAHQHS-LLVKDONJSA-N 384.483 1.447 0 50 GDAA CN1CC[C@@H]2OCCN(Cc3nnnn3-c3ccccc3Br)[C@H]2C1 284722503 BTEYBZZTDCYZGM-GJZGRUSLSA-N 393.289 1.330 0 50 GDAA CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C[C@H]1c1nc(C2CC2)no1 284852783 LTWOMTXAEZIRCI-HNNXBMFYSA-N 382.424 1.105 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)NCCSc2cnn[nH]2)cc1 299767777 KCQZZLUAEJMBDZ-UHFFFAOYSA-N 384.487 1.407 0 50 GDAA COCCNC(=O)c1ccc(NC(=O)NCCc2nnc(C)s2)c(C)c1 299798661 RNOJEXDXUCKDCX-UHFFFAOYSA-N 377.470 1.895 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc4ncccc4c3)C2=O)n(C)n1 329959680 NKCSDZXFGMZNQF-QGZVFWFLSA-N 399.476 1.751 0 50 GDAA O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)c2cc(O)nc(C3CC3)c2)n1 330139651 IWXMEPAJWVPZJQ-CQSZACIVSA-N 383.408 1.917 0 50 GDAA CN1CC(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)C1=O 364021772 MTXWPCPTZQGPDU-UHFFFAOYSA-N 398.341 1.361 0 50 GDAA O=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCCC[C@H]2CO)cc1 670469123 MQWZOGIAONBIEX-KRWDZBQOSA-N 395.525 1.329 0 50 GDAA Cc1noc(C)c1CC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670470649 UKXIZAWBEACHQA-PDRFFQIWSA-N 380.492 1.518 0 50 GDAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1=O 763201164 YQJWOEUREPEQHQ-GFCCVEGCSA-N 384.440 1.302 0 50 GDAA Cc1ccc(CNC(=O)N2CCN(CCO)C(C)(C)C2)c(N2CCCC2)n1 807091671 NNLHRWFBYNGKDX-UHFFFAOYSA-N 375.517 1.588 0 50 GDAA COc1ccnc(N2CCC(CNC(=O)c3cnn4cc(C)cnc34)CC2)n1 824835703 IDPFKYKZXMMXPL-UHFFFAOYSA-N 381.440 1.483 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(Cc3ccccc3F)CC2)C1 1506431415 IZMULIOQPPIPQG-KRWDZBQOSA-N 399.532 1.937 0 50 GDAA NC(=O)COc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1Cl 1615964908 XTLSICXNGYHYKG-BBRMVZONSA-N 376.844 1.030 0 50 GDAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC3(CC1)OCCc1ccsc13)CC2 1704299405 PFEAWPCISOEFJD-CQSZACIVSA-N 388.493 1.296 0 50 GDAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H](Cc1ccccc1)n1cnnn1 1704316379 ZEONLFPUCLYEBG-SFHVURJKSA-N 382.472 1.079 0 50 GDAA CCC(CC)C(=O)N1C[C@H]2CN(S(=O)(=O)CC3CCCC3)C[C@]2(CO)C1 1772812985 UPAWPJUECASKJG-HKUYNNGSSA-N 386.558 1.695 0 50 GDAA CCn1cc(CN2C[C@@H]3CN(C(=O)/C=C/c4ccccc4)C[C@]3(CO)C2)cn1 1772814786 BJVUQGUEUOAKRY-SUEBBETASA-N 380.492 1.869 0 50 GDAA CCc1ccc(NC(=O)C[C@H]2Cc3c(O)nc(NCCOC)nc3NC2=O)cc1 1848443044 SXCLEGBHMNBAAP-CYBMUJFWSA-N 399.451 1.943 0 50 GDAA Cc1nc(N[C@H]2COC[C@H]2O)c2c(n1)C1(CC2)CCN(Cc2ccncc2)CC1 1857689122 GFBGLXCFGJDRIT-RBUKOAKNSA-N 395.507 1.832 0 50 GDAA CC1(CCC(=O)N2C[C@@H]3[C@H](CNC(=O)c4cnccn4)[C@H]4CC[C@]3(C2)O4)CC1 1857713007 REOMFZNEWQLIGO-GYQJYAJYSA-N 384.480 1.793 0 50 GDAA CC(C)CN1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH]c3cnccc23)C1 1875332482 ULDMELVEJOGRJO-LJQANCHMSA-N 383.496 1.553 0 50 GDAA CC(=O)N1CC2(C1)[C@H](C(=O)NCc1cccc(NC(C)C)c1)CCS2(=O)=O 1875393571 OZRBGJRULOZWTN-KRWDZBQOSA-N 393.509 1.159 0 50 GDAA Cc1nn(C)c(C)c1CCCNc1cc(N2C[C@H](O)C[C@@H]2CN(C)C)ncn1 1875398522 UJKRYOZLDQLMSJ-IAGOWNOFSA-N 387.532 1.373 0 50 GDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nn1 2325819720 OCDATUCNOKTARD-DZGCQCFKSA-N 388.449 1.200 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N(C)Cc2cc(C)on2)C[C@H]1NC1CCN(C)CC1 2356150212 RBDFUDHZBDDRQB-KFKAGJAMSA-N 378.517 1.809 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc1 2356142777 HJXBUWCIRJWSAN-LJQANCHMSA-N 385.468 1.436 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356143507 KPFKJHAENMHOJX-JXXFODFXSA-N 389.500 1.061 0 50 GDAA O=C(CNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 2835232 UFPRRAUYHFTJSJ-UHFFFAOYSA-N 377.441 1.453 0 50 GDAA COc1cc(-c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2)c(=N)[nH]c1C 2356157001 ZVGPPOMAYINQKJ-UHFFFAOYSA-N 393.451 1.559 0 50 GDAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@H]1CC(=O)N1CCOCC1 23369256 LFEOROMIQDMFNJ-NRFANRHFSA-N 393.487 1.903 0 50 GDAA CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)CCCCC1 55369640 ZFZZMICPSAQCPW-MRXNPFEDSA-N 395.544 1.995 0 50 GDAA O=S(=O)(c1cccs1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65362435 RNFQKJRCVUSISE-UHFFFAOYSA-N 376.467 1.235 0 50 GDAA C[C@H]1CN(Cc2ccc(C(=O)Nc3ccn(CCC(N)=O)n3)cc2)C[C@@H](C)O1 117705030 GAWLEENJKDKYDX-GASCZTMLSA-N 385.468 1.620 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)CC1 23338743 PUOXYJJBPDWAGB-KRWDZBQOSA-N 377.489 1.118 0 50 GDAA Cc1cccc(N2CCC(NC(=O)C[C@@H]3C(=O)NCCN3CC(C)C)CC2)c1 11816553 ZTTYZRWJNZLJAW-HXUWFJFHSA-N 386.540 1.927 0 50 GDAA O=C1[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)CCCN1CC(F)(F)F 120959535 RFOIZXJVLUCSGV-SNVBAGLBSA-N 376.360 1.395 0 50 GDAA C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 328783891 VNCPVKZGOWLJTF-INIZCTEOSA-N 395.525 1.765 0 50 GDAA CCOC(=O)CN(C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 39362802 FAAOMWGKKKHOIK-UHFFFAOYSA-N 389.518 1.344 0 50 GDAA O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1CCCN1CCOCC1 38828626 VUNHDRCJYRRDQH-UHFFFAOYSA-N 390.447 1.829 0 50 GDAA CC(C)=CCN1CCN(C(=O)c2cc(C)ccc2O)[C@H]2CS(=O)(=O)C[C@H]21 72424088 VCVZPXJHBFEARF-SJORKVTESA-N 378.494 1.590 0 50 GDAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 361997637 PBMZDLVHEQIQCI-ZWKOTPCHSA-N 398.507 1.517 0 50 GDAA C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 128088122 MAPDPNIGQQZDMK-INIZCTEOSA-N 398.507 1.348 0 50 GDAA Cn1cc([C@]2(C)CN(C(=O)NCc3ccnc(-n4ccnc4)c3)CCO2)cn1 363872009 JXXCIYIBLOVSQC-IBGZPJMESA-N 381.440 1.458 0 50 GDAA C[C@@H](CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)[C@@H]1CCCNC1 154834767 ZIVIOAGUTKYLIY-DOTOQJQBSA-N 375.517 1.414 0 50 GDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)cc(N2CCOCC2)n1 72407427 AJDOXOJHRQVOCB-INIZCTEOSA-N 383.452 1.330 0 50 GDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC[C@@H](Oc3cccnc3)C2)CC1 372038733 YHPOMLOXXFDRHK-CRAIPNDOSA-N 375.469 1.725 0 50 GDAA COc1ccc(Nc2cc(N3CC[C@@H]4OCC(=O)N[C@H]4C3)ncn2)c(OC)c1 373764259 BXCJACUNFHPJGI-GJZGRUSLSA-N 385.424 1.331 0 50 GDAA O=C(c1cccnc1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71753504 LQZPLWGWTSAPIQ-GOSISDBHSA-N 386.496 1.257 0 50 GDAA Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O 72120774 ZATRYDUXPIILTK-RTWAWAEBSA-N 381.476 1.482 0 50 GDAA CCn1ccc(C(=O)N2CCc3[nH]c(-c4ccc(OC)nc4)nc3C2)cc1=O 222841253 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Cn1cc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(-c2ccccc2)n1 329265768 HEMDJPXSWLVNPB-HKUYNNGSSA-N 375.494 1.913 0 50 GDAA CCOC(=O)N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 35874695 ITMPQWVYQLGRKH-UHFFFAOYSA-N 377.397 1.331 0 50 GDAA NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 126825727 ZVXGMPNBZSKLQL-QFIPXVFZSA-N 393.487 1.925 0 50 GDAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCO2 375454570 WPSSLIFQRQKJBB-YRNRMSPPSA-N 376.453 1.648 0 50 GDAA CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)CCC(=O)N1Cc1ccccc1 71662262 CFKJXXYKOSNCHH-QGZVFWFLSA-N 381.498 1.077 0 50 GDAA O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333680809 LGNYWIBBVYTYHH-TXFQPVFDSA-N 377.857 1.963 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)CCn1ccccc1=O)N1CCCCCC1 72456785 VHABFTJVVFCFOY-KRWDZBQOSA-N 375.469 1.259 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@@H]4C2=O)c1 77406307 OBPXSZWJSMHINA-JYLXEMOASA-N 393.443 1.924 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cc(CC(C)C)nn2CC)C[C@H]1NS(C)(=O)=O 82083336 HYSLXLBGZOZIJX-GDBMZVCRSA-N 384.546 1.891 0 50 GDAA O=C(O)COc1ccc(Cl)cc1CN1CCC2(CC1)CN[C@H](C(=O)O)C2 82097048 AECRAVDQDIJZAN-AWEZNQCLSA-N 382.844 1.832 0 50 GDAA CCOCC(=O)N1CCC(C(=O)N2CCCC[C@@H]2CCn2ccnc2)CC1 222582378 QGYINYFWHUKCOL-GOSISDBHSA-N 376.501 1.929 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 289467593 YUJQXINIPJMCPF-SJORKVTESA-N 384.484 1.530 0 50 GDAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCC(OCc2ccccn2)CC1 426737384 JVVNHJODODMRBM-QGZVFWFLSA-N 383.496 1.953 0 50 GDAA CC(=O)N1CC2(CCN(C(=O)c3cn4c(C)cccc4n3)CC2)C[C@@H]1C(=O)O 82092788 BIOBLMXJXMMBIC-MRXNPFEDSA-N 384.436 1.571 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)N(C)[C@@H]4CCNC4)cnc32)c(OC)c1 179080820 TUBSOWYGPWFQRN-QGZVFWFLSA-N 395.463 1.931 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)CN1CCO 91325914 BLWIMUVRXVJQML-NRFANRHFSA-N 384.480 1.719 0 50 GDAA O=C(C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1)N1CCCC1 95358083 DRDAANUEBDDWIN-GUDVDZBRSA-N 389.446 1.976 0 50 GDAA Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)OCc2ccccc2)CC1 91952083 VNIUGTPGERVDER-UHFFFAOYSA-N 381.440 1.971 0 50 GDAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@H]1CNC(=O)N1 96149455 OUDNGZIEZPEGLY-GOSISDBHSA-N 392.475 1.194 0 50 GDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(S(=O)(=O)N2CCOCC2)C1 91616356 KJGITUPPVYSPKB-GOSISDBHSA-N 382.482 1.637 0 50 GDAA C[C@H]1CCCN(C(=O)c2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc2)C1 97360258 KEFQVYUEPNVIGJ-AWEZNQCLSA-N 379.482 1.821 0 50 GDAA CCCn1nccc1S(=O)(=O)N[C@@H](c1cncc(OC)c1)[C@H]1C[C@@H](O)C1 244900238 ZYLYXHJLQCPVRL-HACGYAERSA-N 380.470 1.487 0 50 GDAA CCNC(=O)N1CCC(NC(=O)CN2CCN(c3cccc(C)c3)CC2)CC1 252482381 DEEUFOIEUGSFDS-UHFFFAOYSA-N 387.528 1.427 0 50 GDAA CN(C)S(=O)(=O)c1cc(N)cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1 299802963 ZGSGDZCKWCRVHN-KBXCAEBGSA-N 394.541 1.513 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2)n1 827695790 DIMNKQVPTSHVRA-SFHVURJKSA-N 394.479 1.186 0 50 GDAA NC(=O)C(F)(F)C1(O)CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 1875297061 AWLHEWUXEAYJOG-UHFFFAOYSA-N 396.312 1.558 0 50 GDAA CN(CCCC(=O)O)C(=O)c1ccc(Cn2cc(-c3cncn3C)nn2)cc1 1875327193 UHZHDOQIKNNCBI-UHFFFAOYSA-N 382.424 1.664 0 50 GDAA NC(=O)c1n[nH]c(=N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 1875329814 FHGBBJNCXIVEOZ-SECBINFHSA-N 385.371 1.291 0 50 GDAA C[C@@H](CS(C)(=O)=O)C(=O)N1Cc2cnn(-c3ccccn3)c2CC(C)(C)C1 952891222 CFKUZWLFMAIRNW-AWEZNQCLSA-N 390.509 1.859 0 50 GDAA CN[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 1875277732 BKFRMZXPTOOJGY-HRCADAONSA-N 396.557 1.706 0 50 GDAA COCC(=O)N1CCC(C(=O)Nc2ccccc2NC(=O)CN(C)C)CC1 952967811 DOTAHWBBKQLWIV-UHFFFAOYSA-N 376.457 1.010 0 50 GDAA O=C(CCn1cccn1)NCC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 952981956 ZCJXCVYGHMBEQE-UHFFFAOYSA-N 380.452 1.818 0 50 GDAA COc1cc(C(=O)N2CC(Cc3ccoc3)C2)cc(NS(C)(=O)=O)c1OC 890571093 NRANWNBLBDYISL-UHFFFAOYSA-N 394.449 1.983 0 50 GDAA COC(=O)c1ccc(F)c(COC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)c1 770448745 ADPLZAYXMYMCEY-UHFFFAOYSA-N 396.396 1.615 0 50 GDAA Cc1cnccc1N1CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CC1 1506416985 IPZICNXWJZKPCH-UHFFFAOYSA-N 393.447 1.799 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc2ccccc2c1 1704297623 CVSHYDXNPDYMLY-ZWKOTPCHSA-N 376.478 1.405 0 50 GDAA COc1cc(OC)c(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)cc1OC 1704351487 XQYHANDLDMDWDW-DOMZBBRYSA-N 376.409 1.684 0 50 GDAA CCCN1C(=O)N[C@@H](CC(=O)N2CCC3(CC2)OCCc2ccsc23)C1=O 1704298630 JGVMHGDWQXUTAI-AWEZNQCLSA-N 391.493 1.859 0 50 GDAA O=C(CCCn1cncn1)N1CCCN(C(=O)CSc2ccccn2)CC1 1772711108 FISNEZGBSDNXNE-UHFFFAOYSA-N 388.497 1.307 0 50 GDAA COc1cccc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)c1 13673398 JBPYPFYSWHNALM-UHFFFAOYSA-N 383.514 1.453 0 50 GDAA C[C@H]1C(=O)N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(=O)N1C 14746946 ZGOMRRYNMLBSMO-GXFFZTMASA-N 385.342 1.099 0 50 GDAA COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CNC(C)=O)C3)nc1 14993440 ICEWTTIIAQLGAN-OAHLLOKOSA-N 383.404 1.091 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 15671227 CNUPOLJEVROJSO-UHFFFAOYSA-N 379.461 1.501 0 50 GDAA COC(=O)C1=CN(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)N=C1C 169771857 OFPMEWWNRYOLNL-UHFFFAOYSA-N 385.829 1.665 0 50 GDAA Cn1nc(C(=O)O)nc1N1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1 1857668706 DIDLOUIRPNAVMP-GFCCVEGCSA-N 389.412 1.054 0 50 GDAA Cc1ccc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CCn4ccc(C)n4)C3)C2)nn1 1857695190 YSBNAFCEWADFBH-WIYYLYMNSA-N 398.511 1.560 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCCCc3cccnc3)CC2=O)s1 1857708298 MCFFYDJOPHVUOW-CQSZACIVSA-N 389.481 1.572 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cnccn4)C[C@]34CC[C@H]2O4)c(C)n1 1857722224 RUNYXBNPHKLCRC-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCn4cncn4)C3)nc2c1 1857733672 UBHRDDJYOPSRAD-AWEZNQCLSA-N 384.440 1.851 0 50 GDAA NC(=O)CN=c1[nH]c(C2CC2)nc2c1CC[C@@]21CCCN(Cc2ccccn2)C1 1875244658 YFKUOAXHJYZMRD-JOCHJYFZSA-N 392.507 1.548 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2 247968808 UBJRSRUNSXGMGM-CJNGLKHVSA-N 376.482 1.511 0 50 GDAA O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@]2(CCOC2)C1 153427692 PNASULCOWAAXPT-GOSISDBHSA-N 382.457 1.863 0 50 GDAA COc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc(OC)c1OC 1704343853 GPCDKDBLSGIAHL-YLJYHZDGSA-N 378.469 1.631 0 50 GDAA O=C(Cn1ncn2nccc2c1=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 1261116103 TZVJEGFLXHLQJK-NRFANRHFSA-N 392.463 1.016 0 50 GDAA O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC(c2nccc(O)n2)CC1 2325757678 KOSXONIKNPNEID-UHFFFAOYSA-N 385.815 1.831 0 50 GDAA CC(=O)NC[C@@H]1CN(Cc2cccc3c2OCCCO3)C[C@H]1c1cncn1C 2325775586 MVPYOXLTKBXVAU-QZTJIDSGSA-N 384.480 1.933 0 50 GDAA Oc1cc([C@H]2CCN(c3nc(O)c4cnn(-c5ccccc5)c4n3)C2)nc(O)n1 2325825936 INYCGZONKLIALC-NSHDSACASA-N 391.391 1.716 0 50 GDAA Cc1c(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)c3cncs3)C2)sc2nccn12 2325876519 YGJPXFJPJHXSCR-MNOVXSKESA-N 391.478 1.166 0 50 GDAA Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccncc1 2865611 JMMYACHDBVYOMI-UHFFFAOYSA-N 384.421 1.556 0 50 GDAA CC(C)CN1C(=O)c2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2C1=O 4525200 CACKEAVCHBWQDN-UHFFFAOYSA-N 391.383 1.880 0 50 GDAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1 11816736 RBOLLEPXXCOUMK-UHFFFAOYSA-N 385.468 1.821 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 11843532 MTSJFUMELFSVMD-FQEVSTJZSA-N 397.523 1.555 0 50 GDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCC2(CC1)OCCO2 12202599 BGQMDGGOZSTESW-LJQANCHMSA-N 396.434 1.657 0 50 GDAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCC(N)=O)c1 12315490 USYADHLFWJOPDR-UHFFFAOYSA-N 375.469 1.696 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 15069176 VGVDBWNYHDPAGY-HNNXBMFYSA-N 386.452 1.922 0 50 GDAA O=C(NCCCN1CCOCC1)c1cc(COc2ccc(F)cc2F)on1 20389685 TWPAEVVTFDJDBJ-UHFFFAOYSA-N 381.379 1.984 0 50 GDAA CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 39539633 SKHUIIVJDUAEID-UHFFFAOYSA-N 381.498 1.683 0 50 GDAA Cc1nn(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c(C)c1Cl 65456755 KBUBPXSZQXOVCS-AWEZNQCLSA-N 375.860 1.713 0 50 GDAA Cc1nc2c(c(=O)[nH]1)CCN(Cc1c(C)n(C)n(-c3ccccc3)c1=O)CC2 67755212 FIZGKCPHFSWCFG-UHFFFAOYSA-N 379.464 1.477 0 50 GDAA CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCC[C@@H]1O 72446922 BSSKYQTXNFZSBU-CABCVRRESA-N 386.539 1.911 0 50 GDAA CCCN1C[C@@H](NS(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)CC1=O 95363109 XBNCCGCJKNZZCA-HNNXBMFYSA-N 379.482 1.258 0 50 GDAA O=C(NC[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1)c1cc2ccccc2[nH]1 95505492 QTYXBMCIMCAADX-HNNXBMFYSA-N 390.509 1.950 0 50 GDAA C[C@]1(c2ccccc2)CCCN(C(=O)c2cn(CCN3CCNCC3)nn2)C1 95531374 CTBPCWWHZKJGDT-NRFANRHFSA-N 382.512 1.377 0 50 GDAA COCc1noc(C[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 96132320 ZQMZIVPAZVYVJN-CYBMUJFWSA-N 375.381 1.071 0 50 GDAA C[C@@]1(O)CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@@H]1O 96149585 BHWWHKZTAZWJCN-QFBILLFUSA-N 380.872 1.536 0 50 GDAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cs1 97578602 BFYUKOBSTKQMIC-CYBMUJFWSA-N 380.495 1.103 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2cnn(C)c2)CN1C1CCCCC1 97785452 NRKKXHXVGVWREK-WMZOPIPTSA-N 375.517 1.381 0 50 GDAA Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 116906402 WSCWAUSFMXQXPD-MRXNPFEDSA-N 376.434 1.636 0 50 GDAA CN1CC[C@H](C(=O)N[C@H](CC(=O)O)c2ccc(Br)cc2)CC1=O 137787690 WTAVROGYFAGEEE-WCQYABFASA-N 383.242 1.950 0 50 GDAA C[C@@H]1CN(Cc2ccccn2)CCN1C(=O)CCNC(=O)OCC(F)(F)F 170597685 WOSHDBNIQJNCQA-CYBMUJFWSA-N 388.390 1.793 0 50 GDAA NS(=O)(=O)c1ccc(N2CCN(c3nc4ccccc4cc3CO)CC2)cc1 170634054 MPUUWCYPDWBRSX-UHFFFAOYSA-N 398.488 1.701 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)c2cccs2)CC1 172327890 PXBZROZGLUDFMT-NSHDSACASA-N 383.495 1.990 0 50 GDAA CCn1cc([C@H]2CN(C(=O)NC3CCN(CCN(C)C)CC3)CCO2)cn1 190892189 UYAOPXUZVCEZGT-GOSISDBHSA-N 378.521 1.012 0 50 GDAA COC(=O)[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1ccc(-c2ccccn2)s1 209930995 CKZNAKPUPSUZOP-YPMHNXCESA-N 382.463 1.497 0 50 GDAA O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 211386762 FUMJIGZXKCJKFG-IAGOWNOFSA-N 382.416 1.864 0 50 GDAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 217727348 MNTABRSHWCGFLZ-CYBMUJFWSA-N 389.360 1.340 0 50 GDAA biogenic CNC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccccc2Br)cn1 225623454 HGUJXXGICIEOCA-QGZVFWFLSA-N 392.253 1.841 0 50 GDAA O=C(NC1(C(=O)O)CCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 237949208 HAOWFLGYSFLHBH-JTQLQIEISA-N 381.226 1.926 0 50 GDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCc2snnc2C)c1 244742035 OAVYLCLPOCYXMM-LLVKDONJSA-N 375.483 1.928 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 246262808 OSQAJIRNRBTROU-KCMWZYNZSA-N 392.521 1.902 0 50 GDAA CCCn1ccnc1CN1CCN(C(=O)CC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 248297074 XVNCOYXSERKPBP-CVEARBPZSA-N 382.530 1.149 0 50 GDAA COC(=O)c1cn(Cc2nc(-c3ccc(OC)cc3)no2)cc2c(=O)[nH]nc1-2 263587823 LQFJSJVMTYSCDP-UHFFFAOYSA-N 381.348 1.570 0 50 GDAA CCCCN1CCOC[C@@H]1C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 287457631 VOMGXSMCFMOSBP-GOSISDBHSA-N 395.525 1.444 0 50 GDAA O=C(c1ccc(O)nc1)N1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2F)CC1 291500428 MQCIWKKMGRPPTG-MRXNPFEDSA-N 393.802 1.598 0 50 GDAA CCN(C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1)[C@@H]1CCS(=O)(=O)C1 299752669 UXLRUKCJKRDUBJ-OAHLLOKOSA-N 391.449 1.528 0 50 GDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299759457 SBXWQPVWKLXCHG-STQMWFEESA-N 375.454 1.220 0 50 GDAA Cc1nnnn1-c1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 299767895 XQXRMAYADYXONV-OAHLLOKOSA-N 379.428 1.551 0 50 GDAA O=S(=O)(c1ccc2nc(O)c(O)nc2c1)N1CC[C@@H](Oc2cccnc2)C1 328613366 RRVYLJGNECVZCH-GFCCVEGCSA-N 388.405 1.278 0 50 GDAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 363373640 SPDYQHFOLWJKEB-IAGOWNOFSA-N 395.463 1.538 0 50 GDAA CCN1C(=O)COc2ccc(NC(=O)NCc3nc(CCOC)no3)cc21 426728106 AUBOGAYNSNXCHQ-UHFFFAOYSA-N 375.385 1.326 0 50 GDAA O=C(O)C1CCN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)CC1 670438622 JQQAIWAZEFJYET-MRXNPFEDSA-N 399.488 1.421 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CN1Cc1cccnc1 825563769 IZGMMBKQXXJTOB-MRXNPFEDSA-N 399.882 1.827 0 50 GDAA Cc1nn2cc(S(=O)(=O)NC[C@@H]3CNCCC3(F)F)cnc2c1Cl 886896883 XTVQQLUSEIFHNK-VIFPVBQESA-N 379.820 1.214 0 50 GDAA Cc1c(I)ccnc1NS(=O)(=O)c1cnn(C)c1C 888097081 ZZMXEJWAGYQTAR-UHFFFAOYSA-N 392.222 1.837 0 50 GDAA CCS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 888101678 NZOXWYPFRRWWLG-OCCSQVGLSA-N 388.511 1.245 0 50 GDAA Cc1cc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)n2ncnc2n1 952962579 FWGWOZCOMSTYOZ-UHFFFAOYSA-N 395.467 1.584 0 50 GDAA CN1C(=O)c2ccccc2[C@@H]1CNC(=O)Cn1cc(C(N)=O)c2ccccc21 1462169598 VWQNYSRNVYTOEI-SFHVURJKSA-N 376.416 1.683 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)C1 1506398490 CJZMDDTUKCLRJF-AWEZNQCLSA-N 396.538 1.940 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCS(=O)(=O)CC1 1506409853 AFDZHINUOJZLBW-UHFFFAOYSA-N 381.903 1.903 0 50 GDAA COCCn1cnnc1CN(C)c1cc(C(F)(F)F)nc(N2CCCC2)n1 1529101050 AANCYZCJNHUQSL-UHFFFAOYSA-N 385.394 1.970 0 50 GDAA O[C@H]1CN(Cc2cccc(OCCN3CCOCC3)c2)C[C@@H]1Cc1ccncc1 1615965187 JXMHWICTSVCSHR-GMAHTHKFSA-N 397.519 1.828 0 50 GDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cn[nH]c1)C2 1857669997 JHWCFSYNLDVRQQ-MBOZVWFJSA-N 390.484 1.306 0 50 GDAA CC[C@@H](C)CN1CCOC2(CCN(c3cc(OC)nc(=N)[nH]3)CC2)CC1=O 1857687348 SWRVUUXYWJTMKK-CQSZACIVSA-N 377.489 1.532 0 50 GDAA Cc1cnc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)cn1 1857718772 SCPLRVCGXBFNRH-SFTDATJTSA-N 396.491 1.824 0 50 GDAA COc1cc(N2C[C@@H]3[C@H](CNC(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)nc(OC)n1 1857723177 XNONAJJMFWGFOE-LYKCQVCGSA-N 390.484 1.640 0 50 GDAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1nn[nH]n1 1857736862 ZCVFWLDAZUHSNJ-SNVBAGLBSA-N 375.820 1.917 0 50 GDAA O=C([C@H]1CC[C@](O)(c2ccccc2)C1)N1CCC(n2ccc(O)nc2=O)CC1 1875310199 IKXMAIGJAJITLX-YCRPNKLZSA-N 383.448 1.800 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccncc1OCCN(C)C 1875314675 LQZNOMOSIWMOBA-KGLIPLIRSA-N 387.484 1.708 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(CCCn2cccn2)CC1 2100483452 VNPADWQBJOFLQN-UHFFFAOYSA-N 398.511 1.585 0 50 GDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 624713 KTXROOBHDHCHDK-NSHDSACASA-N 388.449 1.136 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1 714466 YNVNVUVIHRYHDO-CLWJZODNSA-N 394.420 1.567 0 50 GDAA biogenic CCOc1ccc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 936988 IWRCKIQIRKWRCN-UHFFFAOYSA-N 386.433 1.903 0 50 GDAA CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 4690265 FUVMXKCATXAUAX-GOSISDBHSA-N 393.447 1.939 0 50 GDAA CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC[C@@H]2CCCO2)cc1C 4938271 FKHIMKNCZLBYJI-HNNXBMFYSA-N 384.498 1.700 0 50 GDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 4968894 OOXALCAOIVIBJX-UHFFFAOYSA-N 381.454 1.058 0 50 GDAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1cccnc1 6140656 QCRMFBDXWAABHO-UHFFFAOYSA-N 389.477 1.870 0 50 GDAA Cc1ccc(C)c(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1 12209319 SWAPDUFFHCQUSX-INIZCTEOSA-N 397.479 1.246 0 50 GDAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)Cn1nnnc1CN1CCCC1 12299471 AKTRFOKUKAHIKA-CQSZACIVSA-N 386.456 1.260 0 50 GDAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2)on1 12300789 BVBVINZLOYOOEW-GOSISDBHSA-N 386.452 1.253 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCc2ccccc2C1 12472418 QTIJEVJBQHAELT-HXUWFJFHSA-N 393.487 1.971 0 50 GDAA C[C@H]1CCCCN1C(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C 15673530 PEUSSCYWWMZVEO-LBPRGKRZSA-N 391.449 1.680 0 50 GDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1cccc(Br)c1 61717879 LAKDWWSCAIKESK-UHFFFAOYSA-N 393.241 1.481 0 50 GDAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)CNS(C)(=O)=O)CC1 67587283 HKRRJMMIGVFCJC-UHFFFAOYSA-N 376.482 1.640 0 50 GDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)N(C)CC(=O)O)[C@H](c2ccc(OC)cc2)N1C 67696468 XXVWBIIXVUOJHO-QOKNQOGYSA-N 378.425 1.464 0 50 GDAA NC(=O)c1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 71707949 UQHPSBKIGCONQO-GOSISDBHSA-N 384.524 1.741 0 50 GDAA Cc1nc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 71736270 QZYPVRJKYTZQOK-INIZCTEOSA-N 384.484 1.770 0 50 GDAA CN(Cc1ccncn1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71751806 QDNMCEWLFAOZSB-KRWDZBQOSA-N 385.512 1.548 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 82139208 FVNCJTJELRWGHA-QLFBSQMISA-N 381.480 1.851 0 50 GDAA CN1CCN(c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncn2)CC1 82230386 KUTLQADABKBSCF-UHFFFAOYSA-N 398.486 1.259 0 50 GDAA O=C(CN1CCCC1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91915303 FTWQSDIFCOMYST-UHFFFAOYSA-N 384.524 1.951 0 50 GDAA CCSc1ncc(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cn1 91988548 HZTYIOZKDPLIJT-LJQANCHMSA-N 380.558 1.884 0 50 GDAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CCC(=O)N(C2CCCC2)C1 92045636 PACJAVKBXOTLGJ-OAHLLOKOSA-N 382.468 1.707 0 50 GDAA COc1ccc2c(c1)CCN(C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1)CC2 95380780 YKHKSYBQMMNWBO-QGZVFWFLSA-N 380.510 1.131 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 95497160 FUZHJSLAFCIVQJ-JKSUJKDBSA-N 384.436 1.103 0 50 GDAA O=C(CCC1CCN(c2nnnn2-c2ccccc2)CC1)NC[C@H]1CCCO1 95521613 OJSWKZLLLVSBOE-GOSISDBHSA-N 384.484 1.954 0 50 GDAA CN(Cc1ccc2nsnc2c1)C(=O)Cn1ncc(N2CCCC2)cc1=O 95527284 MQUPSZIBELKMSM-UHFFFAOYSA-N 384.465 1.507 0 50 GDAA CS(=O)(=O)N1C[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@@]2(C(=O)O)C1 96131169 CZENJJVRLOFLMU-IAQYHMDHSA-N 376.837 1.257 0 50 GDAA COc1cc(NC(=O)NCCn2c(C)cc(C)nc2=O)cc(OC)c1OC 96152392 DXDQHUUSQQXTSB-UHFFFAOYSA-N 376.413 1.708 0 50 GDAA Cc1cnn(-c2ccc(S(=O)(=O)N[C@H]3CCN(C(C)C)C3=O)cc2F)c1 125394526 ZRNFCIOAYJDOKY-HNNXBMFYSA-N 380.445 1.607 0 50 GDAA O=C(NC[C@@H]1CCc2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1 129041197 KLUFUBVRFJBALG-HNNXBMFYSA-N 377.510 1.972 0 50 GDAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(N2CCOCC2)ccn1 133848643 ISGIPYSIJZPFHZ-HXUWFJFHSA-N 396.491 1.415 0 50 GDAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCN(c3ccncc3Cl)CC2)cc1 162481532 VTGRDPHVCNKOMU-SFHVURJKSA-N 395.912 1.994 0 50 GDAA C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 225680911 FFOBTDDCHLCYTQ-MZHQLVBMSA-N 398.916 1.651 0 50 GDAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 237460258 ZKAJZDPJPWSKIY-BBRMVZONSA-N 379.486 1.285 0 50 GDAA CCc1ccccc1CN1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 247977357 WODUZYCJUSMBFQ-OALUTQOASA-N 381.542 1.314 0 50 GDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@H](CO)C(C)C)N=C2O)cc1 252536552 IVWUDQMAUFQVFO-IAGOWNOFSA-N 391.468 1.276 0 50 GDAA CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CCN(CCn2cccn2)CC1 264528625 CJUKYVBJBIDKJF-UHFFFAOYSA-N 380.456 1.095 0 50 GDAA CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1Br 269217571 YUHJLYHYNHLQDS-VIFPVBQESA-N 376.228 1.399 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1 275308947 NRHVKAGELDFROQ-CQSZACIVSA-N 381.410 1.165 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CNC(=O)CC2CCCCC2)C1 276350438 HRQDHVKSTYUQNJ-MRXNPFEDSA-N 388.516 1.178 0 50 GDAA COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)cc1NS(C)(=O)=O 278236164 YRPKFQDTTANDML-WBIUFABUSA-N 379.438 1.634 0 50 GDAA Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)nnn1-c1ccn(C)n1 292774066 QHXLWVIEUGPTMQ-UHFFFAOYSA-N 379.424 1.798 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)ccc1OC 299377625 UFNAOPBMLZWKSN-XBFCOCLRSA-N 396.465 1.461 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1OC 299746017 USSZJAZASUQGBO-NSHDSACASA-N 388.376 1.664 0 50 GDAA CN1CCC[C@@H](CNC(=O)c2cc(N)cc(S(=O)(=O)NC(C)(C)C)c2)C1 299800394 SDNWNIBBZQIEMA-ZDUSSCGKSA-N 382.530 1.417 0 50 GDAA COc1ccc(NC(=O)NC[C@@H](O)c2cccc(F)c2)cc1-n1nnnc1C 363221422 QRGKFXLVNXGSDR-MRXNPFEDSA-N 386.387 1.974 0 50 GDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC2(CCN(C)C2=O)CC1 365671903 LMIRYKJOZGOEJM-UHFFFAOYSA-N 380.466 1.580 0 50 GDAA CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCC3)c2)CC1 408521521 XJZRQPUFTYWINU-QGZVFWFLSA-N 395.525 1.502 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)N1CCCN(Cc2cccc(F)c2)CC1 952976785 OQIJUQPJGXPBCW-GOSISDBHSA-N 385.505 1.689 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)C[C@@H]1O 1529144133 NHUSRLPAOMETQY-FZMZJTMJSA-N 384.395 1.529 0 50 GDAA COc1ccc(C2(C(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)CCCC2)cc1OC 1704303605 LSFGGZKFGXWNFQ-LSDHHAIUSA-N 377.437 1.810 0 50 GDAA COc1ccc(NC(=O)N2C[C@H]3CN(C(C)=O)C[C@]3(CN(C)C)C2)cc1OC 1772811127 SIGLFJVAEBXRKD-FOIQADDNSA-N 390.484 1.578 0 50 GDAA CCN(C(=O)C[C@@H]1CCCO1)[C@@H]1CCN(C(=O)CCOCC(F)(F)F)C1 1775996777 IKMDEJSPBFBNLW-KGLIPLIRSA-N 380.407 1.974 0 50 GDAA CCn1c(=O)c(=N[C@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@@H]2O)[nH]c2ccccc21 1857531205 LDLKKKFKWOONFB-PVUWLOKVSA-N 387.871 1.940 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n(C)n1 1857723135 VAXFPUUAWZORBM-SFTDATJTSA-N 398.507 1.768 0 50 GDAA O=C(c1cc2c(nc1O)CCC2)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857724324 VKYMREBJSGXGEZ-ITBLURSFSA-N 380.444 1.485 0 50 GDAA CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 1875399451 WUPOGSCHSXEBBB-CGTJXYLNSA-N 378.498 1.063 0 50 GDAA O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402539 IVTAFQKGXVWTEY-HMXCVIKNSA-N 397.523 1.351 0 50 GDAA O=C(Cc1ccccc1Cl)N[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1O 1940196953 HJJDPJYEVTZRJD-USXIJHARSA-N 380.872 1.387 0 50 GDAA Cc1nn2cc(CCNC(=O)c3ccc4nnc([C@H](O)C(C)C)n4c3)nc2s1 2100556393 LZKNSJVKUWBXTK-OAHLLOKOSA-N 399.480 1.804 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)[C@@H]4[C@H]5CCCC[C@H]54)cc3C2=O)C(=O)N1 2325890803 SYHHXFRULZCOAQ-JHDROBOHSA-N 395.459 1.500 0 50 GDAA COCCN1CCC[C@@]2(CCCN2Cc2cc(=O)n3ccsc3n2)C1=O 2356147149 KBXGXDBYDJJZHG-GOSISDBHSA-N 376.482 1.359 0 50 GDAA Cn1cc(NC(=O)c2ccc3c(c2)OCCO3)c(C(=O)NCc2ccco2)n1 2793898 ZHZNZKCAWLNRBA-UHFFFAOYSA-N 382.376 1.967 0 50 GDAA Cc1cc(C)n(CCNC(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)n1 11663753 VXEFUSKLMALRKA-UHFFFAOYSA-N 383.408 1.961 0 50 GDAA CCCCN(C)C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCOC)C1=O 11814703 XULBPVXPZXHMLW-OAQYLSRUSA-N 390.480 1.987 0 50 GDAA COC(=O)CCC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 12710730 NYOVBKKYWGSYOL-CQSZACIVSA-N 398.481 1.165 0 50 GDAA COc1ccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14755131 IRJCCOFNLMPLLH-RBUKOAKNSA-N 393.443 1.089 0 50 GDAA biogenic CSCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19222403 VUPMYAMJEXWZBF-QGZVFWFLSA-N 391.537 1.887 0 50 GDAA Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(CN3CCC[C@H]3C(N)=O)c2)n1 23505956 USDHPJIMUHYNJQ-KRWDZBQOSA-N 390.447 1.652 0 50 GDAA CCC(=O)Nc1cccc(OCC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 55182930 UQJVDSUQUFTXPS-GOSISDBHSA-N 377.485 1.983 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOc2cccnc2)o1 59299974 QIQPLTCDWSMANC-GOSISDBHSA-N 386.452 1.259 0 50 GDAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1 65361987 KXXVNCIFYOROAT-CYBMUJFWSA-N 375.450 1.887 0 50 GDAA C[C@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)N1CCCC1=O 67743774 GBQBCCZXHNBJKP-MRXNPFEDSA-N 381.480 1.783 0 50 GDAA CN(Cc1nc(O)c2sccc2n1)C[C@@]1(O)CCCN(CC2CCC2)C1=O 67975639 XMYFQQMUCVXEGI-IBGZPJMESA-N 390.509 1.982 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccco1)CO2 71750264 JPCKLPAGFURFOS-OAHLLOKOSA-N 387.436 1.560 0 50 GDAA CCCn1ncc(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 72421187 GPHPKRGCDWQKHZ-MOPGFXCFSA-N 380.558 1.851 0 50 GDAA O=C(Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O)NCCCO 77323758 KPYZOHILMRHYLG-UHFFFAOYSA-N 380.448 1.453 0 50 GDAA C[C@@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCc3cccs3)cc2C1 77375462 IUUIYOLAAJXLCY-GFCCVEGCSA-N 380.491 1.492 0 50 GDAA COC[C@@H](N)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77425858 KDHMDVBRQWJFBZ-MRXNPFEDSA-N 379.888 1.655 0 50 GDAA O=C1OC2(CCN(C[C@H]3COCCO3)CC2)CN1CCOc1ccccc1 77438904 CNRRXXZHYMGPCH-SFHVURJKSA-N 376.453 1.768 0 50 GDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2cc[nH]n2)c2ccccc2)C(=O)C1=O 77524126 LZYDAOFXCCJDJC-GOSISDBHSA-N 397.479 1.580 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)C[C@@H]1CO 91747064 LETBMPZHFQEXAP-HZPDHXFCSA-N 387.480 1.095 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)CN1CCC(C)C 95507264 WPQHYBPMBNEUGL-WBVHZDCISA-N 376.501 1.462 0 50 GDAA C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2ccnc2)c1 97402465 ZKCDJFLJUNPKFB-HNNXBMFYSA-N 376.482 1.828 0 50 GDAA CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 120862487 MYDZSGYBTDNIMX-DLBZAZTESA-N 376.501 1.417 0 50 GDAA CCCN1CC[C@@H](CNC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 188708432 UANSMLDMMZVOTD-RBBKRZOGSA-N 388.556 1.997 0 50 GDAA O=C(c1cccnc1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 193786232 TZVMQURXKFKIBO-LJQANCHMSA-N 392.459 1.671 0 50 GDAA COc1cc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)ccc1OC(F)F 277599517 LBJJNNOLXPUVTD-CEXHIMGSSA-N 399.419 1.976 0 50 GDAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)NC2=O 279015444 GAMCYWXYDRNMNA-BBATYDOGSA-N 394.859 1.658 0 50 GDAA COCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3nncn3C)sc2n1 288469833 XKPKPLGIJCEPGA-UHFFFAOYSA-N 376.442 1.555 0 50 GDAA O=C(Cc1ncccc1F)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 293176476 YDMFAZMQLBJDMU-GFCCVEGCSA-N 383.470 1.794 0 50 GDAA O=C(O)CN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CCOCC1 299753017 WNGLIOQGJDYGPN-LBPRGKRZSA-N 380.828 1.785 0 50 GDAA COCCn1cc([C@H]2[C@H](CNCc3csnn3)CC(=O)N2C(C)(C)C)cn1 328602776 CXDXBBHZFXQHGE-SUMWQHHRSA-N 392.529 1.859 0 50 GDAA CCc1nc(=NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C(C)C)c2)s[nH]1 328607158 UXMAYOZURHWEQA-SUMWQHHRSA-N 392.529 1.948 0 50 GDAA O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN2C(=O)N=C(O)[C@@H]2C1 330141670 QCMMSJSBANNSIA-PBHICJAKSA-N 392.415 1.796 0 50 GDAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1OCC(N)=O 363306178 HAQAWUANYZCDOZ-MRXNPFEDSA-N 397.431 1.803 0 50 GDAA COc1ccc(Nc2cc(N3CC[C@H]4OCC(=O)N[C@H]4C3)ncn2)c(OC)c1 373764264 BXCJACUNFHPJGI-LSDHHAIUSA-N 385.424 1.331 0 50 GDAA CN(CC(F)(F)F)C(=O)CN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 375802725 VXHAJSRVTFWIFN-QWHCGFSZSA-N 381.395 1.377 0 50 GDAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCN(c2nc[nH]n2)CC1 426420298 YFXIITJSFSXOCG-GOSISDBHSA-N 383.500 1.864 0 50 GDAA Cc1cccc(C)c1OCCCN(C)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426434790 BZOBAGRKDFGANB-HNNXBMFYSA-N 386.452 1.145 0 50 GDAA Cc1nc(CCNC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)nc2c1CCC2 426471716 UUFXZQHRGCAAEU-IBGZPJMESA-N 397.454 1.838 0 50 GDAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2ncc(CCO)cn2n1 426490472 IBOQEOISSSJYTH-CYBMUJFWSA-N 382.420 1.869 0 50 GDAA NC(=O)c1cncc(N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1 426523548 PAFJWFWMFLMUSN-FQEVSTJZSA-N 383.427 1.734 0 50 GDAA Cc1nccn1CC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 426726932 SJWATMNZNGDTDB-QGZVFWFLSA-N 376.482 1.763 0 50 GDAA O=C(NCc1csc(-c2cnccn2)n1)c1cn(C[C@H]2CCCNC2)nn1 584899255 OZSCFZKJIYLJOM-LBPRGKRZSA-N 384.469 1.121 0 50 GDAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCN(CCn2cncn2)CC1 822559908 BGWBFNVHMBBHLM-INIZCTEOSA-N 384.484 1.721 0 50 GDAA COCCN1C[C@@H](C(=O)NCC2(N3CCOCC3)CCCCCC2)CC1=O 824412448 TWDQRHRXVIQPQW-KRWDZBQOSA-N 381.517 1.023 0 50 GDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 827763004 BGTSDCIHPFPYPZ-MRXNPFEDSA-N 376.420 1.532 0 50 GDAA O=C(CC1CCCCC1)N1CCC2(CC1)CN(C(=O)c1cnn[nH]1)CCO2 827921447 ZIQYPFQANVXZTJ-UHFFFAOYSA-N 375.473 1.609 0 50 GDAA O[C@H]1CCc2nn(Cc3ccc(Cn4cc5c(n4)CC[C@H](O)C5)cc3)cc2C1 883004870 XNUJZEHLNBQKLH-PMACEKPBSA-N 378.476 1.875 0 50 GDAA CN1C[C@@H]2CCN(C(=O)[C@]3(O)CCc4cc(Br)ccc4C3)[C@@H]2C1 888100409 KAPYUCANPGPMOC-LESCRADOSA-N 379.298 1.831 0 50 GDAA COc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)cc1S(=O)(=O)N(C)C 952886936 DYCISGNUDSRBEP-VXGBXAGGSA-N 399.469 1.520 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 1506400611 KPYRNTMWFAVEKP-JTQLQIEISA-N 379.818 1.643 0 50 GDAA Cc1ccc(C(=O)NCC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c(C)n1 1506400858 PJLCXUYWKHEVSK-SFHVURJKSA-N 388.512 1.435 0 50 GDAA CCc1nc(C)c(CN2CCCN(C(=O)[C@@H]3CCCCN3C(=O)OC)CC2)[nH]1 1529124944 BDUVBZHZAJKYTN-KRWDZBQOSA-N 391.516 1.936 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(S(=O)(=O)c3ccc(Cl)s3)C[C@@H]12 1704339131 CIOFFGMMLMJLPS-YGRLFVJLSA-N 378.903 1.961 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nc4ncccn4n3)C1)CC2 1704342039 CSHHHPCJJJTCQR-IBGZPJMESA-N 378.440 1.101 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)CN)C[C@]3(CCc3ccccc3)C2)nn1C 1772705913 KQHNMIXKRGTOTA-PGRDOPGGSA-N 395.507 1.221 0 50 GDAA O=C(O)c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c(Cl)c1 1772805546 OETHSRHPJNBKHA-SJKOYZFVSA-N 394.884 1.820 0 50 GDAA Cc1nn(CC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c(=O)c2ccccc12 1775978275 QKKTWJNQZJNRAR-NRFANRHFSA-N 377.448 1.935 0 50 GDAA Cc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccncc2)CO3)nn1C 1857695903 DJWADDOQBLGHKA-LJQANCHMSA-N 379.424 1.197 0 50 GDAA Cc1cnc(C(=O)NC[C@H]2[C@H]3CN(c4ccnc(C)c4)C[C@]34CC[C@H]2O4)cn1 1857737560 SMBJHDKBCLFLDM-GMLUQMLDSA-N 379.464 1.902 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCc3cncn3CC(C)C)CC2=O)s1 1857739455 KNUAVNRFPCZJRL-GFCCVEGCSA-N 392.485 1.206 0 50 GDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(Cc2cnc[nH]2)CCCN1 1875241178 QEBZPVXHKGCNQO-GOSISDBHSA-N 383.496 1.802 0 50 GDAA CCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccc(F)cc1OC 1875244240 OCXSQIBWDCQEGM-LSDHHAIUSA-N 395.456 1.952 0 50 GDAA C[C@@]1(C[C@@H]2CCCN2C(=O)COc2cccc3cccnc23)NC(=O)NC1=O 1875256734 NQOMSRJGESTFAZ-XOBRGWDASA-N 382.420 1.593 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCS(=O)(=O)c3ccccc32)CC1 1875371346 XUWFQZNRZVDPIP-MRXNPFEDSA-N 376.478 1.836 0 50 GDAA Cc1nc(CNc2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)nc2ccccc12 1875398203 GMOXXYWOFORPBQ-HZPDHXFCSA-N 393.495 1.842 0 50 GDAA O=C(NCC1(F)CCNCC1)C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1 2325778270 NNTFFTYBXPKTOB-ZDUSSCGKSA-N 381.423 1.445 0 50 GDAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cn3cc(C)c(O)nc3=O)C2)c2cccc(=O)n21 2356140514 LNTYKTXALVSQDY-XHSDSOJGSA-N 398.463 1.406 0 50 GDAA CCCc1c(C)nc2nc(=NC(=O)c3cccc(S(C)(=O)=O)c3)[nH]n2c1O 2356163328 YKNQOUVTPHXHEF-UHFFFAOYSA-N 389.437 1.169 0 50 GDAA COc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 791311 VGDAZYOJIPHBLQ-UHFFFAOYSA-N 385.445 1.992 0 50 GDAA CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1391692 RCIZOCSQWSVKEN-LBPRGKRZSA-N 394.371 1.148 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccnc2)c(F)c1 12075074 LQIAYPXVSQGJEA-GOSISDBHSA-N 386.427 1.236 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2nonc2C)CC1 12385881 YUXNLIKVLPHAOL-MRXNPFEDSA-N 377.489 1.611 0 50 GDAA COC(=O)[C@@H]1CCCN1C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 14967108 KXHQTUZNLWWUIW-JXFKEZNVSA-N 376.428 1.961 0 50 GDAA O=C(NCc1ccccc1)N1CCC(Cn2cc(CN3CC[C@@H](O)C3)nn2)CC1 23380292 ZJLUNGRUFMZTIJ-HXUWFJFHSA-N 398.511 1.467 0 50 GDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(C)c1)S(C)(=O)=O 65364554 JSGJMERYNIFGKA-INIZCTEOSA-N 381.498 1.264 0 50 GDAA O=C(NCCCO)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCNC4)C1 65525813 VLMMDZMNTZPNPE-GFCCVEGCSA-N 375.498 1.052 0 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CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)c(C(=O)NCCOC)n1 6490188 YNKDNGDVHLNPGR-BBNOBNGHSA-N 392.456 1.355 0 50 GDAA O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)COC2CCOCC2)CC1 127262786 XJXQAAQNOCQLNO-INIZCTEOSA-N 375.469 1.523 0 50 GDAA NC1C[C@@H]2CS(=O)(=O)C[C@H](C1)C2NC(=O)c1cc(-c2cccs2)[nH]n1 374026706 KRUFJIYIPLJKJB-SWKMLJDHSA-N 380.495 1.019 0 50 GDAA O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H](N2CCNCC2=O)C1 262554256 VTRYMPXVXZPDKJ-KRWDZBQOSA-N 382.464 1.697 0 50 GDAA O=C(Cn1cnc2ccccc21)N1CCN(c2cc(-n3cccn3)ncn2)CC1 72437999 LSLCRLBGCMCPCH-UHFFFAOYSA-N 388.435 1.361 0 50 GDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(c3ncccn3)CC2)C1 71760306 IZOJHOFKYRHDJQ-KRWDZBQOSA-N 380.496 1.869 0 50 GDAA CCS(=O)(=O)NCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 241897319 TXQVSBRFXHUQIC-UHFFFAOYSA-N 387.453 1.008 0 50 GDAA Cc1n[nH]c(SCC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)n1 222535454 UXSZFIODJYZANW-ZIAGYGMSSA-N 381.458 1.301 0 50 GDAA Cc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc(Br)s1 137550377 OFWFRUAWLQNXFX-UHFFFAOYSA-N 390.244 1.351 0 50 GDAA CC(=O)N1CCCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 176670277 BDYFESKLWPRGPY-LJQANCHMSA-N 386.496 1.484 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc2c(c1)OCO2 20537275 ZEDPFFYCUXZQNL-GOSISDBHSA-N 395.459 1.465 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)COc3ccccc3C)[C@H](O)C2)cs1 426534434 JCAHSVLUIGSCLC-IAGOWNOFSA-N 375.494 1.890 0 50 GDAA Nc1nc(O)cc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)n1 20637881 PRYGZQCDHUQBSP-MOPGFXCFSA-N 381.480 1.814 0 50 GDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCC(C(=O)O)CC2)n1 49547281 NCWYOJYQPUINEL-UHFFFAOYSA-N 389.383 1.381 0 50 GDAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 46972882 CJIZKMOAXASKKQ-IBGZPJMESA-N 389.459 1.991 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1CCc1ccccn1 95516608 BKYYXPDJOGUSOQ-QFIPXVFZSA-N 394.475 1.857 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)NCCN2CCCCC2)c(Br)c1 238123428 RJISMERQAPBYDC-UHFFFAOYSA-N 391.287 1.912 0 50 GDAA Nc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 95510007 PLYDDSMGNNISAF-MJXNMMHHSA-N 380.452 1.436 0 50 GDAA CCc1cc(N2CCC(N3CCCO[C@@H](C)C3)CC2)nc(N2CCOCC2)n1 95499430 GIYYKHVMFJVXFN-KRWDZBQOSA-N 389.544 1.955 0 50 GDAA Cc1cn(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O 91906484 DHUMHAQSUABHCH-OAQYLSRUSA-N 399.447 1.445 0 50 GDAA CCCn1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1C 95520140 QLWJMLBLYRKFBY-QUCCMNQESA-N 391.560 1.904 0 50 GDAA COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc(-n2cnnn2)cc1OC 97243698 WLVPFGBLVBJGCT-UHFFFAOYSA-N 386.416 1.085 0 50 GDAA Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nnc(CO)n3C)C2)cc1F 244673890 HXOMKOOELHXLKW-CQSZACIVSA-N 375.448 1.963 0 50 GDAA Cc1cc(N2CCN(Cc3cc(-c4cccnc4)no3)CC2)n2ncnc2n1 244817148 SUXBIECBDHQHNM-UHFFFAOYSA-N 376.424 1.805 0 50 GDAA C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC(=O)N1 297407339 IMWFQUFNHVLLAK-NSHDSACASA-N 386.374 1.894 0 50 GDAA C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 299398833 XQEDQTHHSXPWIU-JKSUJKDBSA-N 379.526 1.904 0 50 GDAA C[C@H](c1nc([C@@H]2CCCN2S(C)(=O)=O)no1)n1ccc(C(F)(F)F)n1 1875269478 CNSVTTQIJKEILZ-BDAKNGLRSA-N 379.364 1.991 0 50 GDAA C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cncc(N3CCCC3)n2)C1)n1cccn1 1875310298 LXSKTPVHNVYCAA-JKSUJKDBSA-N 397.483 1.255 0 50 GDAA C=CC(=O)N[C@@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@H]1c1ccccc1 1875383379 RGSIZTXHOAULGV-FUHWJXTLSA-N 375.432 1.728 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 952984707 QWJPYUQMHUOFPH-BETUJISGSA-N 382.428 1.562 0 50 GDAA CN(Cc1cc2ccccc2[nH]1)S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 1319463151 KHLPHEVZRCQZPV-UHFFFAOYSA-N 385.405 1.738 0 50 GDAA Cc1ncsc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 276180467 BRJNFSCSBCRFFG-CYBMUJFWSA-N 376.486 1.360 0 50 GDAA O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1nnc(-c2ccco2)[nH]1 109873149 RAHSDROYEBFBRI-UHFFFAOYSA-N 384.352 1.062 0 50 GDAA CSCCCN1C(=O)CC[C@@H]2CN(C(=O)c3noc(C)c3CO)CC[C@@H]21 219723906 DEOAJWJWOBKJEL-HIFRSBDPSA-N 381.498 1.682 0 50 GDAA COc1cc(OC)c2nc(N3CCc4c(c(C(N)=O)nn4C)C3)cc(C)c2c1 1704302379 ILQGXMNGZFYNMX-UHFFFAOYSA-N 381.436 1.956 0 50 GDAA CN(CCc1ccccn1)[C@H]1CCN(CC(C)(C)CN2CCOCC2)C[C@@H]1O 1614377334 VDQKNTFPTGYUCB-SFTDATJTSA-N 390.572 1.350 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@@H]4CNC[C@]4(CO)C3)c(C)s2)on1 1772710801 SUHZAMCPRJJLCQ-BLLLJJGKSA-N 383.495 1.222 0 50 GDAA CN(Cc1cccnc1)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 11937880 MTXIXASYYKKCLW-NRFANRHFSA-N 385.508 1.910 0 50 GDAA CN(C[C@H]1COCCO1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12612965 YHWUYDFCLDMXAL-KRWDZBQOSA-N 399.407 1.322 0 50 GDAA CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccco1)CC2 19741144 FZHUOKVRJQIKRW-MAUKXSAKSA-N 387.484 1.779 0 50 GDAA CC(C)[C@@H](CO)NC(=O)c1cc2c(s1)CCOC21CCN(CC(=O)O)CC1 1857695219 ZTLQNIIYBOZTCA-CQSZACIVSA-N 396.509 1.443 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857706718 OJQHXDLKYBHNBZ-OXQOHEQNSA-N 381.436 1.323 0 50 GDAA O=S(=O)(c1ccc2nc(O)oc2c1)N1CCOC[C@@H](CN2CCCC2)C1 1857710532 BUCYGKHQUSHAHY-ZDUSSCGKSA-N 381.454 1.266 0 50 GDAA O=C1CO[C@@H](Cn2ccnc2-c2ncc[nH]2)CN1CC1CCN(CC2CC2)CC1 1875245110 KLLHPNZHUDIAPU-SFHVURJKSA-N 398.511 1.623 0 50 GDAA O=C(c1cc2ncccn2n1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1875249936 KRYKJONLRDXGBZ-LZJOCLMNSA-N 389.415 1.644 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 328641856 YDAJIRSUWLVIDH-UONOGXRCSA-N 397.501 1.598 0 50 GDAA CCc1cnc(C)nc1N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 247938236 FPVBKKZGKGBJHF-SJORKVTESA-N 375.473 1.079 0 50 GDAA Cc1cnc2c(c1)N(C(=O)[C@H]1C[C@@H]1C(=O)N1CCNc3ncc(C)cc31)CCN2 2325758092 RTYKLLXUHXDMJQ-GJZGRUSLSA-N 392.463 1.947 0 50 GDAA Cn1cc(-c2ccc(F)c(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)c2)cn1 2325785825 OYJHRRSMUQRIAA-MJXNMMHHSA-N 383.427 1.992 0 50 GDAA C[C@H](O)[C@H](C)CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1 2325799363 QQFLBUXRIOCSKQ-KGLIPLIRSA-N 390.509 1.692 0 50 GDAA Cc1ccc2c(c1)N[C@@H](C(=O)N1Cc3nccc(Cl)c3C1)NS2(=O)=O 2325804917 CICAOEXEQSYLAO-OAHLLOKOSA-N 378.841 1.616 0 50 GDAA CCC1(C(=O)N[C@@H]2CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2)CCC1 2325839525 WJVCNWZUWKHQIB-ZNMIVQPWSA-N 387.546 1.294 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC 1118369 JMZQLABMAKATBU-UHFFFAOYSA-N 380.422 1.444 0 50 GDAA Cc1ncc2c(n1)[C@@]1(CCCN(c3cncc(C(=O)N4CCOCC4)n3)C1)CC2 2356142868 LDSUSHZWYRKMHB-NRFANRHFSA-N 394.479 1.532 0 50 GDAA Cc1ccc(CN(CC(=O)NCCO)S(=O)(=O)c2ccc(Cl)cc2)cc1 2996510 PLVSELGMLMSUMI-UHFFFAOYSA-N 396.896 1.948 0 50 GDAA COC(=O)[C@]1(C)C[C@H](C(=O)NCCn2cccn2)[C@H](c2ccccc2C)N1C 55183070 NBWFVGOQUGJRDM-WFXMLNOXSA-N 384.480 1.932 0 50 GDAA CCn1c(S)nnc1CCNC(=O)c1cc(I)c[nH]1 115377268 ZICDJVQJDIPZQL-UHFFFAOYSA-N 391.238 1.492 0 50 GDAA COc1ccc(NC(=O)CC(=O)N2CCN(C3CCCC3)C(=O)C2)c(OC)c1 55060754 BUPJBQIIWSPVNB-UHFFFAOYSA-N 389.452 1.646 0 50 GDAA Cn1c(CO)nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 409414704 UXJBLADGNJOGQY-OAHLLOKOSA-N 393.403 1.145 0 50 GDAA biogenic CCn1ncc(NC(=O)[C@H](C)n2ncc(Cl)c2C)c1C(=O)N1CCOCC1 2800644 SQBKBLKMCCPXKQ-LBPRGKRZSA-N 394.863 1.733 0 50 GDAA CCN1CC2(CCN(C(=O)CCn3nc(C)c(C(C)=O)c3C)CC2)OC1=O 77472407 XKWCUKYGALOOFU-UHFFFAOYSA-N 376.457 1.926 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)N=C(O)CO3)n1 328634229 TVBGWNFZULVAMM-JOYOIKCWSA-N 394.409 1.109 0 50 GDAA Cc1c([C@H]2[C@H](CNC3CCN(c4ccccn4)CC3)CC(=O)N2C)cnn1C 328618693 DXMTTWOVDNRFAL-HRAATJIYSA-N 382.512 1.902 0 50 GDAA OC1CCN(C2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)CC1 72462957 MWCZGACLODJMNZ-LJQANCHMSA-N 375.517 1.489 0 50 GDAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2c[nH]c3ncccc23)C1 488493562 MTQRBHHVGFHVLO-MFKMUULPSA-N 390.387 1.783 0 50 GDAA NCCCNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71751815 JHJCYYGGWVFAHC-INIZCTEOSA-N 385.512 1.974 0 50 GDAA COCCO[C@H]1C[C@H](CO)CN(c2nc(O)c3cnn(-c4ccccc4)c3n2)C1 447675692 CGFLBZWHWSIORA-HOCLYGCPSA-N 399.451 1.371 0 50 GDAA COCCN(C(=O)CN1CCC=C(c2ccco2)C1)[C@@H]1CCS(=O)(=O)C1 375687448 FVQMGRAUCRBRIJ-MRXNPFEDSA-N 382.482 1.031 0 50 GDAA Cc1c(C(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)n(C)c2c(C)cccc12 77488388 QQSKNXDJOYGKRI-CVEARBPZSA-N 375.494 1.348 0 50 GDAA COC[C@]1(C(=O)O)CCCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 262977537 TZQNCYPSUDOETD-KXBFYZLASA-N 378.400 1.518 0 50 GDAA CCCCN1CCN([C@H](C(=O)NCc2ccccn2)c2ccccc2)C(=O)C1=O 77287288 OQBNFIPHXAOCAS-IBGZPJMESA-N 394.475 1.910 0 50 GDAA Cc1nonc1[C@H]1CCCN1C(=O)Cn1nc(C)n(Cc2ccccc2)c1=O 77390703 WNJUZSPIJCMKJC-MRXNPFEDSA-N 382.424 1.457 0 50 GDAA CCN(CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)C1 285203526 VTAMRPSKOKTHLY-MRXNPFEDSA-N 378.542 1.165 0 50 GDAA COCc1nnc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)s1 44917406 OTUHBFHYRWIDBH-UHFFFAOYSA-N 375.385 1.686 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cnnn3)CC2)c1 40287484 QXISSNUPCNDAIV-LJQANCHMSA-N 378.436 1.620 0 50 GDAA C[C@H](NC(=O)N1CCc2c(c(CO)nn2C)C1)c1ccccc1-n1cccn1 426444917 KXNKHVDUICNJMF-AWEZNQCLSA-N 380.452 1.927 0 50 GDAA NCCOc1ccc(CC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 426496600 ACJCNZPROKUNDT-IBGZPJMESA-N 381.476 1.988 0 50 GDAA CC(C)c1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cn1 91943883 JJGBBWZZNFMEIA-UXHICEINSA-N 375.561 1.810 0 50 GDAA COc1ccc(C(=O)N[C@H]2CCN(C)C2=O)cc1OC1CCN(C(C)C)CC1 95521236 FAMUNQZEKBNDMQ-KRWDZBQOSA-N 389.496 1.907 0 50 GDAA O=C(CN1C(=O)COc2ccccc21)N1CCCN(C(=O)c2ccco2)CC1 95508645 NCABIGFMMXWVQW-UHFFFAOYSA-N 383.404 1.380 0 50 GDAA CCn1c(C)cc(C)c(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)c1=O 95523124 CEEXFCNKXFNULY-JKSUJKDBSA-N 376.501 1.853 0 50 GDAA CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cn1cnnn1 91548315 VCVYRMCZWBQTPN-OAHLLOKOSA-N 376.848 1.761 0 50 GDAA Cc1cc(C)c(S(=O)(=O)NCCN2CCOCC2)c(C)c1Br 230512859 ULWYQYAOTMDDBJ-UHFFFAOYSA-N 391.331 1.985 0 50 GDAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CSc3ccncc3)C2)CC1 95506373 GMWXYIZRGZZWDB-KRWDZBQOSA-N 390.553 1.967 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCc3ccc(OC)cc3CC2)cs1 95366042 KQQYDNWONNHLFI-UHFFFAOYSA-N 380.491 1.906 0 50 GDAA CN(C[C@@H]1CCCCO1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96164971 RRMKTXSJWBVOMR-AWEZNQCLSA-N 378.473 1.681 0 50 GDAA CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N1 245297238 RMWVCMHLFCAXPC-CBGDNZLLSA-N 393.528 1.890 0 50 GDAA COc1ccccc1C=c1sc2nc(=O)c(Cc3ccccc3)nn2c1=O 254737674 VIDYUYONZFBTCQ-UHFFFAOYSA-N 377.425 1.658 0 50 GDAA Cc1ccc(-n2nnc(CC(=O)N(CCC(=O)O)C3CCOCC3)c2C)cc1 299741720 AIGWJSHXELPLKD-UHFFFAOYSA-N 386.452 1.909 0 50 GDAA CCSCc1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)no1 184806934 GUMNYPGHPCTHFM-UHFFFAOYSA-N 376.486 1.270 0 50 GDAA COC(=O)[C@H](CCS(=O)(=O)N1CCC[C@H]1C)NC(=O)OCc1ccccc1 1875339828 ZRFOCRQIKAJARQ-ZBFHGGJFSA-N 398.481 1.659 0 50 GDAA COC[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2coc3ccccc23)CCCCO1 1875345149 TWPFOZDYMIIAGY-XOBRGWDASA-N 390.436 1.225 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCc3nccn3C2)c1 275383503 ZIHAXWXHQJTHLV-ZDUSSCGKSA-N 377.470 1.518 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 276623217 WRVPHKZHZPFNJP-MRXNPFEDSA-N 395.442 1.730 0 50 GDAA CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 408117676 GGGRLQQVGFBPIN-LBPRGKRZSA-N 375.391 1.257 0 50 GDAA CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3COCCN3CC(F)F)cc21 188318403 VSDBHNUOVIHDHP-CQSZACIVSA-N 398.410 1.061 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCCc2nc(C)c3c(n2)CCCC3)C1 1506399816 QQHYOGGBSRQXAD-HNNXBMFYSA-N 382.530 1.399 0 50 GDAA Cc1cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)cc(S(N)(=O)=O)c1C 1506426841 QCWMOIUJPQOUDZ-UHFFFAOYSA-N 378.498 1.996 0 50 GDAA CSc1nc(N)cc(N2CCC[C@@H](CNC(=O)c3cc(C)n(C)n3)C2)n1 1506423534 FVPBWCKJJPUDMH-LBPRGKRZSA-N 375.502 1.469 0 50 GDAA Cn1nccc1C(=O)N1CCCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 1529194709 BWZLDLCUMAUJEW-MRXNPFEDSA-N 376.844 1.482 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3cc[nH]n3)OCC(=O)N2C2CC2)cc1 1529168281 ZMRAPADCUFVGJF-MOPGFXCFSA-N 384.436 1.508 0 50 GDAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1N1CCNC1=O 1704297678 UZJFQLMTFWTMLF-VQIMIIECSA-N 380.448 1.595 0 50 GDAA CC(C)[C@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@@H]1NS(C)(=O)=O 219290496 YMOZLVARSSKANK-MOPGFXCFSA-N 376.526 1.937 0 50 GDAA 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0 50 GDAA CC(=O)NCCCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857684881 IRLBHUBBOMMYQS-OKZBNKHCSA-N 379.888 1.887 0 50 GDAA O=C(C1CCOCC1)N1CC[C@@]2(C1)Cn1c(nnc1Cc1cccnc1)CO2 1857689476 QODMIKOTPSEAFH-HXUWFJFHSA-N 383.452 1.192 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857689580 HJPIUNJYONNIRV-FQEVSTJZSA-N 391.435 1.791 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCc2cnc[nH]2)CC[C@@H]1NC(=O)c1cccnc1 1857694566 RVZNXANIJDIIKL-SNRMKQJTSA-N 399.495 1.857 0 50 GDAA COc1ccc(N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)nc1 456992716 XDFXECVKXVKSPG-UHFFFAOYSA-N 382.468 1.445 0 50 GDAA O=C1CN(C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(Cc2cnsc2)C[C@H]3O)CCN1 2100537430 NDNCQCVOOBLQOK-VURPSTOHSA-N 398.532 1.151 0 50 GDAA Cc1cncc(C(=O)N[C@H]2CC[C@H](C(=O)NCc3cnc(C)cn3)C[C@@H]2O)c1 2100543842 ZFBCCKFQULLTAT-WBAXXEDZSA-N 383.452 1.064 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCCO)n2Cc1ccccc1Cl 1786109 SDXJHORBVQZPEQ-UHFFFAOYSA-N 380.857 1.600 0 50 GDAA 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CCc1cnc(N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)nc1 71747951 MWIFVFPKCRVRIG-QGZVFWFLSA-N 375.517 1.482 0 50 GDAA CN1CCN(c2cc(N3CCN(C(=O)Nc4ccccc4F)CC3)ncn2)CC1 72119199 XDPOTJYZYLFIES-UHFFFAOYSA-N 399.474 1.722 0 50 GDAA O=C(Nc1ccccc1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71747421 HMXUDFBZQUKFJR-UHFFFAOYSA-N 375.388 1.355 0 50 GDAA COc1ccccc1[C@@H]1CN(C(=O)CCn2cnnn2)[C@@H]2C3CCN(CC3)[C@H]12 72148591 PLQAVBJIGLHMDR-PWIZWCRZSA-N 382.468 1.161 0 50 GDAA C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 133479481 CEFDUEFJTKARFU-PKOBYXMFSA-N 387.528 1.113 0 50 GDAA COc1ccccc1N1CC[C@H](NC(=O)Cn2c(=O)n(C)c3ccccc32)C1=O 157375111 QTQRWPRIQAEBKQ-AWEZNQCLSA-N 394.431 1.270 0 50 GDAA CC(C)CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72436008 UWCJRFUALJNXHC-CVEARBPZSA-N 398.912 1.836 0 50 GDAA CCOc1cccc(CN2CCN(Cc3c[nH]cn3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72476303 SXYJEEOQGTWVIA-RBUKOAKNSA-N 390.509 1.292 0 50 GDAA Cc1c(-c2cc(C(=O)NC[C@@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)cnn1C 426683801 LHDRISUHDWYVFL-AWEZNQCLSA-N 378.436 1.902 0 50 GDAA COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C 95359189 OSTBVSVHMGFTMU-ZDUSSCGKSA-N 380.828 1.886 0 50 GDAA CN1CCc2n[nH]c(C(=O)N3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)c2C1 95515442 VJJNRYYEOUKNND-DLBZAZTESA-N 380.496 1.529 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 95505562 ZTPBLCQARJEZBG-UHFFFAOYSA-N 383.452 1.035 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)NCCc3noc(CO)n3)cc2)CC1 95529935 OYHJOCZVYZYATQ-UHFFFAOYSA-N 375.429 1.399 0 50 GDAA COCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95519060 ZPQXLVBFCUIKCL-FQEVSTJZSA-N 387.524 1.996 0 50 GDAA C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 245309047 AFKMZQVMHRZCOU-HOSILWTGSA-N 394.493 1.917 0 50 GDAA COc1ccccc1S(=O)(=O)CCCN1CCCN(c2cccnn2)CC1 184201269 YGIHJMDYJZQGED-UHFFFAOYSA-N 390.509 1.861 0 50 GDAA CCc1nc(CN(C)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)no1 534638466 BNIAOTYFSYSPQU-AWEZNQCLSA-N 377.445 1.748 0 50 GDAA CC(C)CCn1c(CNC(=O)[C@H]2CC3(CCNCC3)CN2)nc2cccnc21 72145017 OHBVFPDVZXPIIW-QGZVFWFLSA-N 384.528 1.825 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cc4ccccc4[nH]3)C2)no1 1940198154 RCBZXUPKNKKZMU-YSVLISHTSA-N 397.435 1.435 0 50 GDAA Cc1ccc(OCc2nc(CC(=O)N3CCOC[C@@H]3C(=O)O)cs2)cc1 268968925 FPGNFQBZULLXTL-OAHLLOKOSA-N 376.434 1.885 0 50 GDAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 824216743 PZVSSORICDALOM-VXGBXAGGSA-N 380.422 1.926 0 50 GDAA CN1CCN(S(=O)(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CC1 670450081 LLCNJAFTDYETPR-LJQANCHMSA-N 380.558 1.513 0 50 GDAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 271047695 SFFAUSDZCHZJSV-CYBMUJFWSA-N 389.481 1.079 0 50 GDAA COC[C@]1(C(=O)NC[C@H]2CO[C@H](CNc3ncnn4cccc34)C2)C=CCC1 1875325920 FYKAUYBJDFMFSV-FTRWYGJKSA-N 385.468 1.645 0 50 GDAA CC(=O)NCC12CC(C(=O)NCC3CCC4(CC3)CC4)(C1)C1(CCNCC1)O2 1875393739 RHIVNCDRCFKZPZ-UHFFFAOYSA-N 389.540 1.881 0 50 GDAA O=C(CCc1nncn1-c1ccccc1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875403474 UTUKBKVPWUFLAR-KBAYOESNSA-N 380.452 1.352 0 50 GDAA CC(C)N1C[C@H](NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)CC1=O 952987293 VQZCRWUOCKWSCT-QGZVFWFLSA-N 399.491 1.707 0 50 GDAA CS(=O)(=O)N1CCc2c(cccc2NC(=O)N2CC[C@@H](n3cccn3)C2)C1 886082169 HEBTXUCVICWRTN-OAHLLOKOSA-N 389.481 1.680 0 50 GDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1 888096130 LQPWNCVBNLLIKR-MOPGFXCFSA-N 398.463 1.814 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)ccc2O1 275361942 VSDOKSAQDNEDOA-PVUWLOKVSA-N 377.466 1.140 0 50 GDAA COC(=O)C[C@@]1(NCC(=O)Nc2cc3c(cc2Cl)OCCO3)CCCOC1 170083213 FMSQDKLXSHDHBS-SFHVURJKSA-N 398.843 1.752 0 50 GDAA O=C1CN(c2ccnc(C(=O)NC3(c4cccc(F)c4)CCOCC3)c2)CCN1 187921769 CBWMSDDRRMOVFT-UHFFFAOYSA-N 398.438 1.593 0 50 GDAA C[C@H]1CN(Cc2cccc(CNC(=O)c3cc4c(=O)[nH]cnc4cn3)c2)CCO1 188606012 CWHSUGHPEKEEOG-AWEZNQCLSA-N 393.447 1.469 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](OCc3cccnc3)C2)cc1 1506396543 KPUDLGPYFKLMCL-KRWDZBQOSA-N 389.477 1.811 0 50 GDAA COc1cccc([C@H]2CCN(c3cc(N)nc(N4CCOCC4)n3)C2)c1OC 1529098589 ISPMZROHQGMQMM-AWEZNQCLSA-N 385.468 1.907 0 50 GDAA O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(N2CCOCC2)no1 1772809520 DAQFUCXTEBWSAB-GFCCVEGCSA-N 390.827 1.700 0 50 GDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(OC)c(COC)c3)CCN2C1=O 14748183 MRQVDOUHIWAQOF-DLBZAZTESA-N 375.469 1.153 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(Cc3cccs3)CC2)nn1 19838548 KNGUPUVMZDMIKP-UHFFFAOYSA-N 390.513 1.166 0 50 GDAA Cc1cc(C)nc(N2CCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)CC2)n1 157531276 PYOGAMALCNYUKW-CQSZACIVSA-N 388.497 1.603 0 50 GDAA Cc1nn2cc(CNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)N)nc2s1 1857688615 SXTMHWFLCCPGJO-NSHDSACASA-N 396.480 1.694 0 50 GDAA COC(=O)[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCCN(c4nc5ncccc5o4)C3)C[C@H]21 1857723867 ZVUZWLQEJIJMHI-WVZRYYJFSA-N 384.436 1.707 0 50 GDAA COc1ccc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1F 1857726681 CCNBPVSUHFDUFF-ICSRJNTNSA-N 390.459 1.641 0 50 GDAA Cc1nc(N2CC3(CNC(=O)N3C)C2)c2c(n1)[C@]1(CCCN(CC3CC3)C1)CC2 1875240620 FIGFOUFBEPGMGT-OAQYLSRUSA-N 396.539 1.689 0 50 GDAA CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1 9288565 BWLLXLLUYSADCJ-OCCSQVGLSA-N 382.438 1.196 0 50 GDAA C[C@]1(CNC(=O)N2C[C@]34CCCC[C@@]3(C2)CS(=O)(=O)C4)C[C@H]2CC[C@H]1O2 2325768520 QFPYEKAFBDVVOG-YRGVVPAESA-N 382.526 1.944 0 50 GDAA O=C(NC[C@H]1CCNC2(CC2)C1)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325789669 FGYBETJINHYZEO-LSDHHAIUSA-N 389.471 1.886 0 50 GDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CCc3ccnc(Cl)c3C1)NS2(=O)=O 2325804921 CSKORUVPIFQSDO-INIZCTEOSA-N 392.868 1.658 0 50 GDAA Cc1c(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)cnc2ccnn12 2325819401 DBYBZXRBUMFYIR-UHFFFAOYSA-N 379.486 1.408 0 50 GDAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)nn1 2325819721 OCDATUCNOKTARD-HIFRSBDPSA-N 388.449 1.200 0 50 GDAA O=C(O)CC[C@@H](NC(=O)c1ccc(I)cc1)C(=O)O 2271038 PQOYLAVKDNWUOQ-SECBINFHSA-N 377.134 1.339 0 50 GDAA biogenic CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@](F)(Cl)C(F)(F)F)cc1 2766182 PLYZJDGWXJPNTO-SNVBAGLBSA-N 376.715 1.917 0 50 GDAA CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@H](Cc1ccccc1)C(=O)O 2900065 KIPACRKTCCFPJL-BRVCPTFNSA-N 396.399 1.704 0 50 GDAA biogenic CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COC)CC2)cc1 4488410 HVBVBJNQSWKZPS-AWEZNQCLSA-N 384.498 1.637 0 50 GDAA CCOC(=O)CN(C)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 12076557 RIDZYPKSDPLPDR-UHFFFAOYSA-N 392.452 1.720 0 50 GDAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CN1CCC(O)CC1 12432435 FKJYFTYLJXGATR-GOSISDBHSA-N 391.531 1.995 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccn2)CC1 19147984 BVUBEFHYWSBVGU-LJQANCHMSA-N 393.491 1.121 0 50 GDAA CCN1CCC(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)CC1 19774355 FOKASHFOFXRAFU-LJQANCHMSA-N 390.528 1.517 0 50 GDAA Cc1cc(N2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)nc2ccccc12 20615329 CPINOUJJSXRCJD-UHFFFAOYSA-N 379.420 1.937 0 50 GDAA CCOC(=O)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 39447007 NEUZCJYHQWYVOA-MRXNPFEDSA-N 399.513 1.241 0 50 GDAA O=C(NCc1cccnc1-n1ccnc1)[C@@H](c1cccnc1)N1CCOCC1 67674251 JWGOHWAGNZABBQ-GOSISDBHSA-N 378.436 1.352 0 50 GDAA O=C(Cn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O)NCc1ccco1 67726492 BCOHQEKZVJHSDX-OAHLLOKOSA-N 381.436 1.410 0 50 GDAA Nc1ccc(-c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)cn1 71762047 DNYXXIWENMTZEI-UHFFFAOYSA-N 375.436 1.868 0 50 GDAA COc1cccc(N2CCN(S(=O)(=O)NCc3ccccc3)[C@H](C)C2=O)c1 72168769 SMRVWZJPPYXPDB-OAHLLOKOSA-N 389.477 1.767 0 50 GDAA OCC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)CCN1C1CCCC1 72430515 ZLASPHLTIFQSLB-MRXNPFEDSA-N 379.480 1.268 0 50 GDAA Cc1ccc(CN2CCN(C(=O)CCc3csc(N)n3)C[C@@H]2CCO)o1 72448170 PTEXOAUBFQVOBR-HNNXBMFYSA-N 378.498 1.655 0 50 GDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CC[C@]2(CCCN(C)C2=O)C1 91391233 WPMASJUVAJEERI-QGZVFWFLSA-N 379.438 1.876 0 50 GDAA COc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1F 91605076 GJVRRFVTBDXSBE-MJGOQNOKSA-N 393.503 1.685 0 50 GDAA O=C1CCC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)CN1CCc1ccccn1 91664610 KFWFNVXWDAUMSW-UHFFFAOYSA-N 394.475 1.857 0 50 GDAA CC(C)c1cc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)nc2ncnn12 91973911 QMDYAGPGNYCOHC-UHFFFAOYSA-N 379.424 1.368 0 50 GDAA C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3cc[nH]n3)c2)C[C@@H](C)O1 95355460 KMGASUIPFDAZGU-BETUJISGSA-N 378.454 1.138 0 50 GDAA Cc1ncnc(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2)c1C 95500438 OYQCNJPBWMTSSJ-SFHVURJKSA-N 394.479 1.186 0 50 GDAA O=C(CCCn1cncn1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95506416 CIDXZBSMOZEDAJ-UHFFFAOYSA-N 397.483 1.094 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1NS(C)(=O)=O 95510299 RPVGMNWMYJEQFP-TZMCWYRMSA-N 396.538 1.939 0 50 GDAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 110049120 GGANFXQDYNENGC-SNVBAGLBSA-N 395.485 1.268 0 50 GDAA COc1cc(CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1C 119018192 UERLTXODEMZUEN-GOSISDBHSA-N 388.512 1.494 0 50 GDAA C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CCS1(=O)=O 134727555 HAPPVAKKJKOMBC-HFBAOOFYSA-N 387.452 1.539 0 50 GDAA O=C(NC[C@H]1CCCS1(=O)=O)c1cnc2c(cnn2Cc2ccccc2)c1 154019475 ZFVAFNVGXGCDMB-QGZVFWFLSA-N 384.461 1.787 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)co1 156331859 UGQKVVZKLAINJS-GFCCVEGCSA-N 398.872 1.587 0 50 GDAA CC(=O)Nc1cc(S(=O)(=O)NC2CCN(c3nccn3C)CC2)ccc1F 170613261 CYORGNNNFKSDND-UHFFFAOYSA-N 395.460 1.465 0 50 GDAA CC1(C)CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CCS1(=O)=O 176455341 PWKQRNACWAXIOK-UHFFFAOYSA-N 393.553 1.912 0 50 GDAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCCN(Cc2ccccn2)CC1 215452672 KMKSUSCKNCFMLI-UHFFFAOYSA-N 379.424 1.111 0 50 GDAA Cc1nn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c(=O)c2ccccc12 237916040 PEQZUVCNNYINGM-GOSISDBHSA-N 377.400 1.743 0 50 GDAA CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 240333313 FCYKSPYPYUXKPF-ROUUACIJSA-N 389.471 1.591 0 50 GDAA COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccc4cccnc4c3N1[C@H]2C(C)=O 245310078 HGUOOPROIWLQOZ-DWRORGKVSA-N 391.427 1.655 0 50 GDAA COc1cccc([C@H](C)N(CC(=O)N[C@H]2CCCCNC2=O)c2cnn(C)c2)c1 252667124 CTQJTNYMQPTBCI-KXBFYZLASA-N 399.495 1.781 0 50 GDAA COC[C@@H]1CN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)CCO1 266561953 ULGBSWHKTLNTBY-IBGZPJMESA-N 398.463 1.915 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCO[C@H](CO)C1 267622866 LCUZIVPHYRDOTR-HOTGVXAUSA-N 387.402 1.682 0 50 GDAA C[C@H](CCCNC(=O)c1ccc2[nH]nnc2c1)NC(=O)c1ccc2[nH]nnc2c1 295268888 GTMYOLNWSLNGIK-LLVKDONJSA-N 392.423 1.558 0 50 GDAA COCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccnc1 297884209 NODOSGCGMVJXDM-UHFFFAOYSA-N 385.467 1.149 0 50 GDAA Cc1ccc([C@@H](CNC(=O)c2ccccc2-c2nnn[nH]2)N2CCOCC2)o1 299761710 ZEBZNJXJJPQVPF-MRXNPFEDSA-N 382.424 1.571 0 50 GDAA CN(C)CCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299767668 JGWPNYRSEWQDLB-FQEVSTJZSA-N 393.503 1.848 0 50 GDAA CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)cc21 328644852 ZLNRFBZJTUWACW-OAHLLOKOSA-N 388.493 1.675 0 50 GDAA Cn1cnc(S(=O)(=O)NCC(=O)N2CCS[C@H](c3ccccc3)C2)c1 370395931 RWKUSWPNSXSKLH-AWEZNQCLSA-N 380.495 1.015 0 50 GDAA C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NCC(C)(C)N)cc2)C1 417154697 KSAGPQUOLPOYJM-AWEZNQCLSA-N 382.530 1.644 0 50 GDAA COc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)cc(OC)c1OCCCN 426398053 MIHIOVKJFGUTRA-AWEZNQCLSA-N 389.456 1.835 0 50 GDAA Cc1nc(CCNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)nc2c1CCC2 426471722 UUFXZQHRGCAAEU-LJQANCHMSA-N 397.454 1.838 0 50 GDAA Cc1nnc(SCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)s1 426489817 XFLJBMHZIREDAB-ZIAGYGMSSA-N 379.511 1.085 0 50 GDAA COCCn1cnnc1CCNC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 426597193 IEDLBKDNXHMHCC-ZDUSSCGKSA-N 377.449 1.520 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=S)NNc2ncnc3sccc23)cc1 726441844 SNJXQNNXQAMTFS-UHFFFAOYSA-N 394.507 1.330 0 50 GDAA Cc1ccc(S(=O)(=O)C2CCN(C(=O)NCCn3cccn3)CC2)cc1 872924450 SJCQXWZKIQKGNS-UHFFFAOYSA-N 376.482 1.839 0 50 GDAA O=C(NCC1=CCNCC1)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952895999 ZXQPLACLRUVOIZ-UHFFFAOYSA-N 379.468 1.742 0 50 GDAA CCC(=O)N1CCC2(CC1)CN(CCCOc1ccc(C(N)=O)cc1)CCO2 952970803 DNIWHKNZDRNZDN-UHFFFAOYSA-N 389.496 1.658 0 50 GDAA O=C(c1cncc(N2CCC([C@@H](O)c3cccs3)CC2)n1)N1CCOCC1 1506403122 WDQJYQYQWKXENS-GOSISDBHSA-N 388.493 1.961 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCSCC3)OCC(=O)N2C2CC2)cc1 1529144219 UEDBELFUQMNQMW-MSOLQXFVSA-N 376.478 1.702 0 50 GDAA CC(C)(C)c1oc(C(N)=O)cc1CN1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 1565509952 JQEOMWUIPDUFJM-JSGCOSHPSA-N 383.514 1.532 0 50 GDAA O=C(C1CC1)N1CCN(Cc2ccc(O)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565513756 OZKLMKIBBVVCCN-CABCVRRESA-N 384.885 1.265 0 50 GDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)c1cc(Cl)cnc1O 1565529601 WMTWHOBBVCZBNW-HOTGVXAUSA-N 378.812 1.899 0 50 GDAA CSCC(=O)N1C[C@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@]2(CO)C1 1775979191 YMFWKCFQWKETJD-ACJLOTCBSA-N 398.912 1.230 0 50 GDAA CC(C)OCC(=O)NCc1ccc2c(c1)CN(c1nc(O)c3cnn(C)c3n1)C2 1775992596 SOOSHKZVCZVOCN-UHFFFAOYSA-N 396.451 1.630 0 50 GDAA O=C1CCN(c2ccccc2C(=O)N2CCC(C3CCNCC3)CC2)C(=O)N1 1857667682 DMRKYBWDXAXHQH-UHFFFAOYSA-N 384.480 1.985 0 50 GDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)c(OC)cc1Cl 1857669641 DBIAGUUFCCIRIK-MEDUHNTESA-N 391.873 1.377 0 50 GDAA CN=c1nc(C(=O)N2CCCC2)c2c([nH]1)CCN(c1nc(C)ccc1OC)C2 1857679407 KMBMXEIATCXWKM-UHFFFAOYSA-N 382.468 1.451 0 50 GDAA Cc1nc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cn(C)cn2)nc2c1CCC2 1857688407 HVQMFDBZEPTQKQ-ROUUACIJSA-N 394.479 1.065 0 50 GDAA NC(=O)NCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857691203 ZXZNXJKQZCBMKZ-GOSISDBHSA-N 388.512 1.753 0 50 GDAA CN1CC[C@]2(C(=O)NCCCc3cnn(C)c3)CCCN(Cc3ncc[nH]3)[C@H]2C1 1857699452 VBHGHNPPWHWXMO-GHTZIAJQSA-N 399.543 1.179 0 50 GDAA O=C(Cn1cnnn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857699473 QAXBBHLYYDOSCJ-LJQANCHMSA-N 398.511 1.772 0 50 GDAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCO[C@@]2(CCNC2)C1 1857722284 FWBWTRKIDDGNKQ-ORAYPTAESA-N 386.477 1.240 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4nc[nH]n4)CC3=O)sc2c1 1857731146 LXVZUZFTSQKISP-JTQLQIEISA-N 386.437 1.482 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3ncc(F)c(N4CCOCC4)n3)C[C@H]12 1857731896 SKLJEYVYJBAVHV-JKQORVJESA-N 390.459 1.890 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(Nc4ncnc5[nH]ccc45)cc3C2=O)C(=O)N1 1875289993 FBRXOQMGUAGIJT-AWEZNQCLSA-N 376.376 1.463 0 50 GDAA O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1c(F)cc(C(F)(F)F)cc1F 1875310978 IHOSWGTYSPAGHG-MRVPVSSYSA-N 397.329 1.654 0 50 GDAA O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCN(c2cccc(O)n2)CC1 1875321190 XOTNITDMEGXKHM-LLVKDONJSA-N 395.385 1.983 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@H](n3ccc(O)nc3=O)C2)c(C(C)(C)C)n1 1875346178 VXHGZPKSRNNRJL-LBPRGKRZSA-N 395.485 1.006 0 50 GDAA COc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)nc1 1875399859 KXCPFCKVYBTXAP-MRXNPFEDSA-N 384.484 1.567 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccnc3N3CCOCC3)nn(C)c21 1875401306 IEYWPTWPIBBGFT-KGLIPLIRSA-N 385.468 1.604 0 50 GDAA CO[C@@H]1CN(c2ccnc(N3CCC(c4nnc(C)o4)CC3)n2)C[C@@H]1N(C)C 1875401342 JMYFAKNQFMFMPD-JKSUJKDBSA-N 387.488 1.317 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCCn2ccnn2)C[C@H]1NC(=O)NCC 2100554850 CLJVWYSMOVHKEO-ARFHVFGLSA-N 380.493 1.067 0 50 GDAA CCN1C(=O)c2ccc(C(=O)NN3CC[C@H](C(F)(F)F)C3)cc2S1(=O)=O 2325727220 SPNYFHPBSNYZAA-JTQLQIEISA-N 391.371 1.380 0 50 GDAA Cc1c(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc[nH]c1=N 2325764471 UTJHNHKRKYMZTR-KRWDZBQOSA-N 383.500 1.188 0 50 GDAA NC(=O)[C@@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@H](CO)C1 2325804082 UNZUVYPBOBUYQN-IAQYHMDHSA-N 379.258 1.296 0 50 GDAA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)NC[C@@H](O)c1cccc(O)n1 2356138510 CWPNPUBEPNAYTG-OAHLLOKOSA-N 386.387 1.210 0 50 GDAA CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1017654 APWAIAHFBLNEPF-UHFFFAOYSA-N 382.486 1.413 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCOc1cccnc1 12304052 LIJBVMCSQHIUBY-GOSISDBHSA-N 386.427 1.106 0 50 GDAA O=C(Cc1ccccn1)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12387769 ZLGJMQYYYSRPNB-SFHVURJKSA-N 381.480 1.817 0 50 GDAA CCOC(=O)Cc1nnc(NC(=O)[C@@H](CC)Sc2nc(C)cc(O)n2)s1 18202860 APXRBSSNMRSDAP-SECBINFHSA-N 397.482 1.957 0 50 GDAA COC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71735622 XENUGPDLOVTBEQ-SFHVURJKSA-N 388.512 1.389 0 50 GDAA CCN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 72144598 QILDYJSOHJCNLO-KRWDZBQOSA-N 387.459 1.298 0 50 GDAA 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GDAA O=C(N=c1ccn(-c2ccccn2)[nH]1)NCCS(=O)(=O)NC1CCCCC1 2325852346 ANKXXLOIQOGHCF-UHFFFAOYSA-N 392.485 1.063 0 50 GDAA COc1ccc(C(=O)O)nc1-c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325894589 AXKBDSWHRXOCMG-AWEZNQCLSA-N 395.371 1.216 0 50 GDAA CCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccc1C(=O)O)C[C@H]2O 2356138433 BHOCJDPAWLITBI-VALFRTSSSA-N 395.459 1.887 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N(C)CC(=O)NC)CC[C@@H]1Nc1ncc(F)cn1 2356158153 CYOJXHLRHSTRGR-QEJZJMRPSA-N 381.452 1.196 0 50 GDAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 826677 VSMOLPGTOUOEGZ-MRXNPFEDSA-N 380.404 1.234 0 50 GDAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc2CC1 2356160319 MRLTYVWLDDOBKX-IBGZPJMESA-N 376.522 1.513 0 50 GDAA COc1ccccc1N1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 54274700 UJIKKGMQZAHXPO-UHFFFAOYSA-N 383.500 1.775 0 50 GDAA O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)CN1C[C@@H]3CC[C@@H]1C3)C2 102030534 LLBCQHJBMZGGOH-NVXWUHKLSA-N 379.464 1.962 0 50 GDAA Cc1ccc(F)c(NC(=O)CCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 63855563 UQDQZHKJMIJUHT-UHFFFAOYSA-N 385.461 1.393 0 50 GDAA CC(C)n1cc(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cn1 67920375 YORBBSJPTYDBCU-UHFFFAOYSA-N 384.483 1.348 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 2151766 CGARSSYMARLOOR-UHFFFAOYSA-N 390.450 1.041 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2cc(F)ccc2F)cn1 328618958 FHOBQNCGIITFCE-MRXNPFEDSA-N 383.420 1.722 0 50 GDAA COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@](C)(N)c2ccccc2)C1=O 262895878 PADKTGYTGWDSGX-IFXJQAMLSA-N 387.461 1.630 0 50 GDAA CN(c1ccn(C)n1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 239653966 BLXVHBMDPIRBOT-UHFFFAOYSA-N 384.483 1.030 0 50 GDAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCCN2CCCC2)c1 193874705 WQSDVKGFVYYVLM-UHFFFAOYSA-N 379.404 1.353 0 50 GDAA CN(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)COc1ncnc2ccccc12 82098574 QNLCWDFRFTWYNT-STQMWFEESA-N 375.404 1.219 0 50 GDAA C[C@H](NC(=O)N1CCN(Cc2nc[nH]n2)CC1)c1cnn(-c2ccccc2)c1 426419912 FYCUCMSJZKTECQ-HNNXBMFYSA-N 380.456 1.579 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccc(N(C)CC)n1)CC2 95527763 DGEDFLBEAKFKHY-UHFFFAOYSA-N 383.500 1.946 0 50 GDAA O=C(Cn1nnnc1CN1CCCCCC1)NCCC(=O)Nc1ccccc1 95517974 BLLQWNFROKTAJF-UHFFFAOYSA-N 385.472 1.194 0 50 GDAA CCn1cncc1CN1CCC2(CC1)CCN(C(=O)COC(C)C)C[C@@H]2CO 97694666 JRCOCNIIVUQUKC-GOSISDBHSA-N 392.544 1.751 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)CN(C)Cc3cccnc3)C2)CCC1=O 95506394 BYUWFHMFOLAXTL-OAQYLSRUSA-N 388.512 1.391 0 50 GDAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1C(=O)NC(C)C 247970424 DEGODFJDWAVGGU-JKSUJKDBSA-N 384.498 1.757 0 50 GDAA Cc1oc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(=O)O 299753628 YVUDUKHKEZNWJB-UHFFFAOYSA-N 378.406 1.756 0 50 GDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4ccc(=O)n(C)n4)cc3)C2)n[nH]1 534667881 KLHACXNEJDWROY-INIZCTEOSA-N 378.436 1.894 0 50 GDAA O=C1C[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)CN1 1940193486 AHMZNSOYBGNSQH-AWEZNQCLSA-N 393.447 1.187 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCc1ccc(Cl)cc1 64626169 MFBNOYKGOMXZDM-GOSISDBHSA-N 386.883 1.784 0 50 GDAA CS(=O)(=O)c1ccc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)cc1 670471039 DWVKVGIXHHUITA-UHFFFAOYSA-N 383.495 1.561 0 50 GDAA Cn1cc(S(=O)(=O)NC(=O)NCC[C@H]2COC(C)(C)C2)c(C(F)(F)F)n1 1875335357 FDTPDYZPTAUCKY-SECBINFHSA-N 398.407 1.632 0 50 GDAA Cn1cnn(CC(=O)N2CCC(c3nccc(-c4ccccc4)n3)CC2)c1=O 952891533 FMDQVJFLPBDMBR-UHFFFAOYSA-N 378.436 1.445 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2ncnc3sccc23)N(c2cc(C)ncn2)C1 1875392055 WTWCGLGWPADMFH-STQMWFEESA-N 384.465 1.813 0 50 GDAA CCc1nn(C)cc1C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2CC2)C1 1775962811 JGZVWFHTOGINIM-HUUCEWRRSA-N 384.484 1.098 0 50 GDAA Cc1ccccc1C(=O)NC1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 271263909 LOLDALJIXDNWBA-UHFFFAOYSA-N 394.431 1.756 0 50 GDAA CC(C)n1cnc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 170609171 GQULODKZNGJBDV-HNNXBMFYSA-N 381.479 1.970 0 50 GDAA CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)cc21 189192248 HNZFHFUXYFWECU-FUHWJXTLSA-N 376.482 1.611 0 50 GDAA O=C1CCCC[C@H](C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)N1 193960246 CIWVJJNVURNUMD-GOSISDBHSA-N 384.480 1.971 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1C(F)(F)F 1704339109 OCUAKAJWGGIHTM-GWCFXTLKSA-N 380.388 1.342 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC3(CNC(=O)N3)C2)ccc1F 1704303405 IJOQLNZYCIWKED-UHFFFAOYSA-N 389.387 1.063 0 50 GDAA Cc1nnnn1Cc1ccc(-c2nc([C@H]3CCOC3)nn2-c2ccnn2C)cc1 1772705829 AHLUCGOOOXZEIX-INIZCTEOSA-N 391.439 1.515 0 50 GDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCSC)c2)CC1 11817449 GHQRMAOMUCOJMN-GOSISDBHSA-N 396.553 1.764 0 50 GDAA CN(C)CC(C)(C)CNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 12575219 IJJUDAYKPYXGTE-LJQANCHMSA-N 379.545 1.436 0 50 GDAA COc1ccc(CNCc2cn(C)nc2C)c(OC[C@H](O)CN2CCCC2)c1 12715628 FIXBTIDXEHMJFO-LJQANCHMSA-N 388.512 1.862 0 50 GDAA COc1ccccc1CN1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]2C1 14746272 NKNZJWDQNFKHSR-RBUKOAKNSA-N 379.460 1.449 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 15065582 LTDIWYNURWLPAU-MRXNPFEDSA-N 388.468 1.163 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCC(=O)OC)CC1 15079798 OYDANSONVAEXHY-KRWDZBQOSA-N 381.517 1.559 0 50 GDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccccc2Cl)no1 169760427 XNHMIBGSZCIZAU-UHFFFAOYSA-N 396.812 1.968 0 50 GDAA Cn1c(CNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 169779911 KKZYTPTZXMQULZ-MRXNPFEDSA-N 391.431 1.720 0 50 GDAA O=S(=O)(C1CCOCC1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857668027 CLXGWULLOVBBJQ-IBGZPJMESA-N 393.509 1.848 0 50 GDAA COCCN=c1[nH]c2cc(C(=O)N[C@H]3CCCc4c3c(C)nn4C)ccc2n1C 1857682441 PUXAQYFVSBASSQ-HNNXBMFYSA-N 396.495 1.903 0 50 GDAA COc1cc(N2C[C@@H]3[C@H](CNC(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)[nH]c(=N)n1 1857733370 HSIWSNJKYKACHF-FGBSKUFISA-N 375.473 1.044 0 50 GDAA COc1ccnc(N2CCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1 115536919 DYIWEWQPVKIQBS-QGZVFWFLSA-N 385.443 1.942 0 50 GDAA COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC2(CCC2)[C@H]1C1CC1 366351990 CHQZIKDATHACHL-MRXNPFEDSA-N 380.466 1.756 0 50 GDAA Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCC(N2CCOCC2)CC1 912537866 LQXVHLXTEROPOY-UHFFFAOYSA-N 389.525 1.718 0 50 GDAA Cc1ccccc1-n1ncc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1N 2325734858 NNFGNNGFHHUPPZ-UHFFFAOYSA-N 390.447 1.756 0 50 GDAA O=C(CN1CC[C@H](C(=O)O)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 2325752936 OPBUXYRKTQUZJY-DLBZAZTESA-N 382.416 1.877 0 50 GDAA Cn1cc(CN2CC[C@H](O)C2)c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)n1 2325759943 UMHORVVDFSKYPZ-SFHVURJKSA-N 397.479 1.475 0 50 GDAA O=C(N=S1(=O)CCC2(CC1)CN(c1ncccn1)CCO2)c1cnns1 2325784833 NEPRCMPXUDJDKA-UHFFFAOYSA-N 394.482 1.006 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CCC5(CC4)CC5)cc3C2=O)C(=O)N1 2325886821 KSGRBDVHOIBNJZ-INIZCTEOSA-N 381.432 1.464 0 50 GDAA OC1(Cn2cnc3c(N4CC[C@@]5(O)CCCC[C@@H]5C4)ncnc32)CCOCC1 888097267 GELYMQPUDSNUKC-QRWLVFNGSA-N 387.484 1.499 0 50 GDAA Cn1cncc1C(=O)N1CC2(C[C@@H](NC(=O)C[C@H]3CC=CCC3)c3nccn32)C1 2332237600 CXNAGRWTEVFFLI-JKSUJKDBSA-N 394.479 1.775 0 50 GDAA CCC[C@@]1(C(=O)O)CN(Cc2cnc(=NCc3ccccc3)[nH]c2)CC[C@H]1O 2356154620 CITYHMRWFGMMKM-WIYYLYMNSA-N 384.480 1.948 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 4044190 QUSPUJJUTGSQHE-OOSNJVJTSA-N 391.464 1.919 0 50 GDAA COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 4328256 SFSOKXWFHGEPTC-UHFFFAOYSA-N 394.449 1.332 0 50 GDAA biogenic Cc1cc(C)n(CCC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c(=O)n1 55042543 JSKKSEWAHDOPLW-UHFFFAOYSA-N 397.479 1.200 0 50 GDAA Nc1nnc(SCC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)s1 55361075 WHZKIDVZTPJCGY-UHFFFAOYSA-N 392.510 1.162 0 50 GDAA Cn1c(=O)c2c(nc(S)n2Cc2ccc(Br)cc2)n(C)c1=O 100632454 YFLBLCRWXROGQP-UHFFFAOYSA-N 381.255 1.533 0 50 GDAA biogenic COCc1nc2n(n1)C[C@H](NC(=O)c1cnn(C(C)C)c1C(F)(F)F)CC2 135138560 MWHYGTCCFVVUMC-SNVBAGLBSA-N 386.378 1.966 0 50 GDAA CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55343990 WLJONHJTMWLRRO-QGZVFWFLSA-N 383.439 1.587 0 50 GDAA NC(=O)[C@@H]1CN(C(=O)Nc2nnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F 421059279 ISOITYJIQIRBDV-NXEZZACHSA-N 385.371 2.333 0 50 GDAA O=C(c1ccc[nH]c1=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 67674083 QSKMSCXPUQSXIM-UHFFFAOYSA-N 386.496 1.314 0 50 GDAA COC(=O)[C@]1(C(C)C)N[C@H](c2nc(C(C)C)cs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65406590 XAAIAIYTDVYPJL-ZIVKBKJYSA-N 379.482 1.710 0 50 GDAA CCn1cncc1CNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71776985 UGZGXMVKJAVXBM-QGZVFWFLSA-N 387.528 1.632 0 50 GDAA CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCc2ccncc2)CC1 282416852 GJJHWJXFQGOIBD-UHFFFAOYSA-N 375.441 1.532 0 50 GDAA CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)c3cccc(C(=N)O)c3)C2)n1 328614050 VCQLGTSRJPFELO-MRXNPFEDSA-N 380.426 1.359 0 50 GDAA C[C@@H](NS(=O)(=O)CC1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 173095715 VCKLXGCLPCOWSD-OAHLLOKOSA-N 399.532 1.985 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)C1(NC(N)=O)CC1)CC2 333235804 HQOUWXLHMHTTHG-OAHLLOKOSA-N 390.509 1.679 0 50 GDAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)C1 262506811 JKDURHKGYYJWOF-GDBMZVCRSA-N 395.500 1.053 0 50 GDAA CCN(CC)C(=O)C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 72156954 LFLCXWOSGJLQCK-KRWDZBQOSA-N 390.503 1.807 0 50 GDAA CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)N(C)C1 285221571 XKGFOKFPYQRLOX-QWRGUYRKSA-N 376.862 1.378 0 50 GDAA Cc1nc(C)c(CC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)s1 82092137 AFUQNHRNRJZULA-UHFFFAOYSA-N 376.486 1.313 0 50 GDAA CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)C(N)=O 291782254 VDOSSWZCXVXNHB-QGZVFWFLSA-N 389.477 1.814 0 50 GDAA Cc1cc(C)nc(CCNC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)n1 426398985 GDHPVMAMASCPOR-UHFFFAOYSA-N 381.433 1.968 0 50 GDAA COc1ccc(CNC(=O)CN2CC[C@@]3(CCCN(C)C3=O)C2)cc1OC 91551684 GIKLCBLVGAFUEQ-FQEVSTJZSA-N 375.469 1.264 0 50 GDAA CCN1CCNC(=O)[C@@H]1Cc1nc(CCOC)nn1-c1cccc(Cl)c1 96162779 MQLRSPWQYBJTMV-HNNXBMFYSA-N 377.876 1.472 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)c(=O)[nH]1 91350942 MCKJIXBDLYIJLI-MRXNPFEDSA-N 378.436 1.704 0 50 GDAA Cc1nc(-c2ncc(C(=O)N3CCOC[C@H](CN(C)C)C3)c(O)n2)cs1 96152458 MSOMAWZQZGLNPG-GFCCVEGCSA-N 377.470 1.264 0 50 GDAA CCC(CO)(CO)NC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 91894618 BTMXGIVWRRHUHK-HNNXBMFYSA-N 382.888 1.371 0 50 GDAA CCc1nnc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)o1 95518741 ASQCNBMKVWXIRY-MRXNPFEDSA-N 378.498 1.964 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)CN1Cc1c[nH]cn1 95496853 FEHLHJZIJQFQIU-ABAIWWIYSA-N 379.823 1.321 0 50 GDAA CCN(Cc1noc(C2CC2)n1)C(=O)Nc1cccc(S(=O)(=O)NC)c1 97553242 QYHOKJWDZMKXKD-UHFFFAOYSA-N 379.442 1.909 0 50 GDAA O=C(N1CCC(N2CCS(=O)(=O)CC2)CC1)C1(c2cccc(F)c2)CCC1 183554966 WLLMFNDCAZRIRS-UHFFFAOYSA-N 394.512 1.969 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OC)c(OC)c2)c1O 253624018 ZPCNMCLWYUHZJQ-JTQLQIEISA-N 376.365 1.304 0 50 GDAA biogenic COc1cc(CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc(OC)c1 824549256 MVAXBKUUCBBFNI-UHFFFAOYSA-N 375.469 1.900 0 50 GDAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)NCc3nc(O)n[nH]3)O2)CC1 584889588 BZDYVMLSIZGQCX-AWEZNQCLSA-N 378.477 1.289 0 50 GDAA Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCNC[C@@H]2c2cn[nH]c2)cc1 1875292650 OOOAVQQQWQGSGQ-RHSMWYFYSA-N 387.509 1.951 0 50 GDAA CC1(c2cc(N3CCN(C(=O)C[C@@H](NC(N)=O)c4ccccc4)CC3)n[nH]2)CC1 1875258366 SIBQDQNKAYHEOS-MRXNPFEDSA-N 396.495 1.910 0 50 GDAA CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc3c(c2)CNC3=O)s1 1875320791 LBNYRZHZNBVQQJ-VHSXEESVSA-N 387.465 1.737 0 50 GDAA O=C(Cc1c(F)cccc1F)NC1(CNC(=O)[C@@H](F)C2(O)CCCC2)CC1 1875345469 YOJSXPKKOVYBSP-MRXNPFEDSA-N 384.398 1.916 0 50 GDAA Oc1nc(O)c2c(n1)CN(C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 1875308156 SDOGRDDDTFRLTN-SNVBAGLBSA-N 386.235 1.993 0 50 GDAA CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1875311328 UZUQPAKUGFGGPS-FUHWJXTLSA-N 397.479 1.959 0 50 GDAA CC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CC4CC(F)(F)C4)CC[C@H]32)CC1 1875328495 VIWKICPKMLFDPP-HZPDHXFCSA-N 398.454 1.427 0 50 GDAA CCn1nccc1[C@H](C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397444 ALVDBQSQNCZULU-JKSUJKDBSA-N 385.516 1.941 0 50 GDAA Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 952972748 AALFZOPVZYNOOG-HNNXBMFYSA-N 396.451 1.705 0 50 GDAA NC[C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CCO1 952971169 FVQVLYNIMMWKNU-MRXNPFEDSA-N 378.432 1.250 0 50 GDAA C=CC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1336703316 YSMYLGOTPBUCEC-UHFFFAOYSA-N 379.301 1.920 0 50 GDAA CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 38537903 DFGAHTVPVGLXTK-UHFFFAOYSA-N 391.287 1.319 0 50 GDAA in-vitro CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 170598501 JZGCGRGAWNPFRM-ABAIWWIYSA-N 396.488 1.541 0 50 GDAA C[C@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1nncn1C 193178267 AKZXRXGOMVMWBA-GFCCVEGCSA-N 379.486 1.425 0 50 GDAA Cn1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)nc2cccnc21 788143052 TXUOBASSIXPXPW-LJQANCHMSA-N 396.382 1.513 0 50 GDAA O=C(CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)N1CCNCC1 1704303050 IAZRTPXCVFNLHP-QHCPKHFHSA-N 391.519 1.855 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cc(Cl)c(Cl)s1)C2 1704314950 ZHDKNCSBMXBLQC-SFYZADRCSA-N 385.294 1.533 0 50 GDAA Cc1nc2ccc(C(=O)N3CCC4(CC3)NCC(C)(C)CNC4=O)cc2nc1C 1772816004 DDSLRBPOIFMBLD-UHFFFAOYSA-N 395.507 1.967 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@@]2(CO)C1 1772812867 QPNRLKMHEULXFN-OXQOHEQNSA-N 380.452 1.401 0 50 GDAA CN1CCN(c2cc(N3CCC(Cc4ccc(O)nc4)CC3)nc(N)n2)CC1 1772809679 ZUYMTYNIVYBTDZ-UHFFFAOYSA-N 383.500 1.370 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccnc1 11821864 YBVVTOFJYHXMMK-LJQANCHMSA-N 396.491 1.829 0 50 GDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12438694 YFVQVGFPTDSVFY-KRWDZBQOSA-N 383.496 1.904 0 50 GDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCSC)cc2)CC1 12458606 CJFBICTXMKBSEH-GOSISDBHSA-N 396.553 1.764 0 50 GDAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2OC)CC1 12570885 BCRYMDMTPONJDF-SFHVURJKSA-N 389.496 1.271 0 50 GDAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H](C)COC)CC2)C1=O 14753116 FGJOOBWLPJVBRE-KRWDZBQOSA-N 389.496 1.967 0 50 GDAA Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3n[nH]c4c3CCCC4)C2)ccc1=O 1857667648 BMTQDSUXBSKDRS-HUUCEWRRSA-N 397.479 1.458 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CC12CCOCC2 1857683504 VNDDOJAHDMEPPV-UHFFFAOYSA-N 388.873 1.524 0 50 GDAA CC[C@@H]1[C@H](C(=O)N2CCOCC2)C[C@@H]2CN(Cc3cccc(O)c3)CC(=O)N21 1857691525 PFMFGLHKFMKUGU-BHIYHBOVSA-N 387.480 1.062 0 50 GDAA CCc1nccn1CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2cnccn2)C1 1857695168 XKTLRVUCGLRRBI-IAGOWNOFSA-N 398.511 1.802 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1NC(=O)c1cc(C)on1 1857705865 YWJDYNZPCCTLJB-LZLYRXPVSA-N 392.500 1.451 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCCc3cscn3)CC2=O)s1 1857713700 DIOXVYSZNAYBQS-JTQLQIEISA-N 381.483 1.243 0 50 GDAA CN1CCN(C[C@@H](O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 1857719134 DZGDNSZFZAWKJD-OAQYLSRUSA-N 384.524 1.557 0 50 GDAA CCCO[C@H]1C[C@@H](c2nc(CC(N)=O)nn2CCc2ccccc2)CC[C@@H]1N 1857725478 YGOAROZAOCSWKH-BZSNNMDCSA-N 385.512 1.939 0 50 GDAA Cc1cccc(C(=O)NC[C@H]2[C@H]3CN(c4nccnc4C)C[C@]34CC[C@H]2O4)n1 1857735881 JHYMBFKMQVEZCJ-LTVCHDBBSA-N 379.464 1.902 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2CCNCC2)cn1 1875249108 ICIPLRRGKLERKU-OALUTQOASA-N 375.517 1.174 0 50 GDAA CO[C@H](C)c1noc(CN(C)C(=O)NCC2(N3CCOCC3)CCCCC2)n1 363324271 LUVMDFDCDDJXCS-OAHLLOKOSA-N 395.504 1.954 0 50 GDAA CN(C)CCn1cnc2cc(NC(=O)C(=O)N3CCc4ncccc4C3)ccc21 2325776057 BYSOBFCZZJFJKB-UHFFFAOYSA-N 392.463 1.516 0 50 GDAA Cc1cc(=NCC2(NC(=O)C[C@@H]3CCc4ccccc4C3)CC2)[nH]c(CO)n1 2325793147 IDCSSZFKOMHRKY-MRXNPFEDSA-N 380.492 1.955 0 50 GDAA CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 754650 IQYVMFNRXCKBHJ-KYFSNAEOSA-N 384.432 1.877 0 50 GDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc3nnc([C@H](O)C(C)C)n3c1)C2 2356157197 DVSFPIZYGYFZSY-MRXNPFEDSA-N 398.423 1.058 0 50 GDAA O=C(COC[C@@H]1CCCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356167939 JLBRILWBZFUSEL-SFHVURJKSA-N 384.480 1.839 0 50 GDAA O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br 4755947 WGPUWADPRRMPML-MRVPVSSYSA-N 377.285 1.241 0 50 GDAA CCN(CC)C(=O)C(=O)c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 4759267 YLYLWRCCNJQIHU-HNNXBMFYSA-N 385.464 1.988 0 50 GDAA CCOCCn1c(=O)n(CCn2cc(Cl)cn2)c2cc(C(=O)O)cnc21 55576307 CPVCRNVPLSPBIL-UHFFFAOYSA-N 379.804 1.483 0 50 GDAA CS(=O)(=O)NCC[C@@H]1CCCCN1CCn1cnc2ccccc2c1=O 172244740 MMQNDYMGDLCZRG-HNNXBMFYSA-N 378.498 1.190 0 50 GDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1 21793822 SOQCCERRNCHCNB-UHFFFAOYSA-N 385.443 1.723 0 50 GDAA COc1ccc(-c2nc(CN(CCO)[C@H]3CCS(=O)(=O)C3)c(C)o2)cc1C 20138275 ADUAWGQZJRELDP-INIZCTEOSA-N 394.493 1.948 0 50 GDAA COc1cc(C(=O)O)cc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)c1 72171710 JFIORZXAEAQAGA-HNNXBMFYSA-N 376.409 1.405 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1C 229713747 QEDXWKUOSWYLPG-MSOLQXFVSA-N 379.526 1.667 0 50 GDAA Cc1nn(CC(=O)NCCc2noc(C3CC3)n2)c(=O)n1Cc1ccccc1 77535639 AVBLDXDARIWKQX-UHFFFAOYSA-N 382.424 1.021 0 50 GDAA CC(=O)N1CC[C@@](C)(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 363323869 FQAVIQAQPWHLQQ-HXUWFJFHSA-N 376.476 1.322 0 50 GDAA O=S(=O)(c1cccc2c1OCCO2)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 328610554 IKAANWLCYFSLRI-KRWDZBQOSA-N 393.421 1.000 0 50 GDAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2cn(C(C)C)cn2)C1 488550537 FTRWDTDIQWZAAY-NWDGAFQWSA-N 382.408 1.684 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 72151252 MVGZAEKFPBYGNF-HNNXBMFYSA-N 377.876 1.474 0 50 GDAA O=C(c1ccc(NC2CCNCC2)nc1)N1CCCN(c2ncccn2)CC1 71738517 FCIRMAXAHKNHNQ-UHFFFAOYSA-N 381.484 1.388 0 50 GDAA Cc1ocnc1C(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72431721 OALTVIRIOIABRW-CVEARBPZSA-N 375.450 1.107 0 50 GDAA COCCc1noc([C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)n1 225525569 BREHBRHVHDYTTL-CYBMUJFWSA-N 393.421 1.031 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)c2cscn2)C1 426383778 ITLQZMZECZLEHW-ZDUSSCGKSA-N 376.486 1.124 0 50 GDAA Cc1nccn1CCNC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 426716862 JUIKRQGNRWWQTR-KRWDZBQOSA-N 376.482 1.590 0 50 GDAA O=C(CCCn1cncn1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95376897 CFNAHENZKGMCOH-CEWLAPEOSA-N 381.480 1.853 0 50 GDAA COCCN(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cnccn2)c1 95386179 ONBJYGXECNJCJC-UHFFFAOYSA-N 378.454 1.016 0 50 GDAA CCOC(=O)c1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)OCC)C2=O)cc1 95496456 CSAAYKIJLWBUTO-KGLIPLIRSA-N 394.449 1.119 0 50 GDAA O=C(NC1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1)c1ccccc1 298367854 TXQMENVILPFUQA-AWEZNQCLSA-N 397.397 1.818 0 50 GDAA NC(=O)c1cccc(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 298313759 PWHUZBZRPAADMM-UHFFFAOYSA-N 380.448 1.890 0 50 GDAA O=C(O)CN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CCOCC1 299753016 WNGLIOQGJDYGPN-GFCCVEGCSA-N 380.828 1.785 0 50 GDAA CC(C)Cc1noc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n1 534633620 MMKZOQBRLHKOAS-HNNXBMFYSA-N 386.456 1.654 0 50 GDAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)NC[C@@H]1CCCCO1 534587811 SEAGVZUNGXUDBT-KRWDZBQOSA-N 375.473 1.394 0 50 GDAA CSc1ncc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)cn1 299788183 QRNXFFKMINOZFE-ZIAGYGMSSA-N 379.511 1.329 0 50 GDAA NS(=O)(=O)c1cccc(NC(=O)N2CCC(CCn3cccn3)CC2)c1 299786751 NFRGHZDCPBLUFI-UHFFFAOYSA-N 377.470 1.865 0 50 GDAA CC1(C)CN(C(=O)c2cn(CCN)nn2)[C@@H]1c1nccn1-c1ccc(F)cc1 952895585 XIDLBVQJWZLPOD-MRXNPFEDSA-N 383.431 1.785 0 50 GDAA Cn1cc([C@@H]2CCCCN2C(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2)cn1 1875293296 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Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(-n2ccnc2)n1 67613963 VFODAWXPDUJDTP-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA CCN1CCN(Cc2cc(C(=O)NCc3cn4ccc(C)cc4n3)no2)CC1 67967481 XEVGDGAZNBKQFC-UHFFFAOYSA-N 382.468 1.698 0 50 GDAA CCn1c(C2CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC2)n[nH]c1=O 67975358 RVSWQPWSNBQKJD-UHFFFAOYSA-N 384.444 1.172 0 50 GDAA CCn1cc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cn1 71422445 OJHLTICLNYPVIY-GOSISDBHSA-N 387.528 1.632 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1=O 71753081 PBPVCOWEWLUXSZ-LJQANCHMSA-N 399.539 1.059 0 50 GDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCOCC3)[C@H]4C2=O)cc1C 77301943 ZIRUULRRSJUSJY-SRYPRDQNSA-N 396.487 1.834 0 50 GDAA O=C([C@@H]1COc2ccccc2C1)N1CCc2c(ncnc2N2CCOCC2)C1 77392858 AHMALOXURXMZEC-INIZCTEOSA-N 380.448 1.449 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]3C1=O 77485447 YKESGKDVBMZOLY-JWVYWZTKSA-N 396.422 1.802 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3noc(C)n3)cc2)CC1 95509111 YUPGVXDPNFBWBD-UHFFFAOYSA-N 388.424 1.324 0 50 GDAA O=C(c1coc(CN2CCOCC2)c1)N1CCC(N2CCSCC2)CC1 102534855 VXIVIZPHQSBBDB-UHFFFAOYSA-N 379.526 1.765 0 50 GDAA Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 116906400 WSCWAUSFMXQXPD-INIZCTEOSA-N 376.434 1.636 0 50 GDAA CNC(=O)C(C)(C)CNC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 126838206 MOJHNHDLZZGSRO-UHFFFAOYSA-N 379.505 1.575 0 50 GDAA C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1F 154260487 MRRRYADOVFQHPR-MRXNPFEDSA-N 399.470 1.905 0 50 GDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccco1 170625220 FOPRCPWZYLGUIX-KRWDZBQOSA-N 380.404 1.930 0 50 GDAA biogenic C[C@](O)(CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)CN1CCOCC1 176220362 MMJSNRPSSOCJIQ-FQEVSTJZSA-N 386.452 1.427 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3ccccn3)C2=O)cc1 206256179 WLIWVQLSEFXEOA-GOSISDBHSA-N 396.447 1.650 0 50 GDAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1cccs1 239174069 PFDVRSTVNZKSGL-RDXDGJJNSA-N 385.441 1.917 0 50 GDAA COCCN1C[C@H]2CN(C(=O)Cc3ccc(F)cc3Cl)C[C@@]2(C(=O)O)C1 247816852 BLOQJQKGNQRZIU-UGSOOPFHSA-N 384.835 1.513 0 50 GDAA COCCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1 262373604 KINMHSFDRSRZAJ-PVAVHDDUSA-N 395.477 1.965 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 262711565 FNXDWSMJFFPZLZ-JTQLQIEISA-N 386.198 1.536 0 50 GDAA COc1ncc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1C(N)=O 268533341 IWSZYDMXIUDZIJ-HNNXBMFYSA-N 383.408 1.284 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)cc1OC 275342596 RZCHVOOGBYJYHA-ZJUUUORDSA-N 394.287 1.715 0 50 GDAA CCc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)cs1 328613601 SQDBXAMXUAYGES-ZDUSSCGKSA-N 397.526 1.396 0 50 GDAA CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCN(c3cnccn3)CC2)n1 328638989 PHVZDBMTTQMRRR-VQIMIIECSA-N 383.500 2.209 0 50 GDAA Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)nn1 364369731 OTHPLPIKTOVAEI-MRXNPFEDSA-N 398.467 1.717 0 50 GDAA O=C(Nc1nc2c(s1)COCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1 368456432 ABZNCAXYPYFOCK-NSHDSACASA-N 386.499 1.248 0 50 GDAA COc1ccccc1CN1CCN(C(=O)NCCSc2cnn[nH]2)CC1 426371200 RLXBWPOWULICLH-UHFFFAOYSA-N 376.486 1.433 0 50 GDAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCC[C@@H](c2ccn(CCO)n2)C1 426409410 OBDAFJUFZUCIQB-MRXNPFEDSA-N 392.459 1.766 0 50 GDAA CN(C)[C@H](C(=O)NCCn1ncc2ccccc2c1=O)c1ccc2c(c1)OCO2 426527628 BLKOYMGUPRQISH-IBGZPJMESA-N 394.431 1.544 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 426597279 TUIRVAJEYSJHKW-WCQYABFASA-N 375.454 1.072 0 50 GDAA Cn1c(C2CCN(C(=O)NCCc3nc(N)cc(O)n3)CC2)nc2ccccc21 426737535 RFRGVJNJYLSOGY-UHFFFAOYSA-N 395.467 1.783 0 50 GDAA CNC(=O)c1cccc(CNS(=O)(=O)Cc2ccccc2C(=O)OC)c1 443022543 PXBOKPRJTHZWII-UHFFFAOYSA-N 376.434 1.452 0 50 GDAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704302786 BIXHXKPFZBEWJV-RYUDHWBXSA-N 375.516 1.211 0 50 GDAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CC[C@H](O)[C@H](O)C1 1704327812 GYDPPXCCHXEOJT-UONOGXRCSA-N 395.843 1.621 0 50 GDAA Nc1cc(N[C@@H]2CN3CCCC[C@@]3(C(=O)NCCc3ccccc3)C2)ncn1 1857683750 XDRINIZHMKANMR-UWJYYQICSA-N 380.496 1.827 0 50 GDAA O=C(NC1CC1)[C@@]12CCCCN1C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 1857686917 IANKHWKAMGGASS-YJBOKZPZSA-N 397.928 1.894 0 50 GDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)cc2n1 1857714321 PYCKUQLNTSFCSZ-KGYLQXTDSA-N 384.358 1.668 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)C3(C)COC3)[C@H](O)C2)sc1C 1875249434 SMWKYJNJTKIHKF-BFHYXJOUSA-N 381.498 1.058 0 50 GDAA O=C(c1cc(O)nc(C2CC2)c1)N1CCC(CCN2CCCS2(=O)=O)CC1 1875274681 QZORULQTTXSDKO-UHFFFAOYSA-N 393.509 1.942 0 50 GDAA C=CC(=O)NCC(=O)N1CC[C@@]2(C1)C(=O)Nc1cc(Br)ccc12 1875380983 GPQGAWCDWMEAGY-INIZCTEOSA-N 378.226 1.174 0 50 GDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)CC1(O)CCC1)C2 1875395666 IIBQVVGSDDUGIN-MRXNPFEDSA-N 385.512 1.240 0 50 GDAA CO[C@@H]1CN(c2ccnc(N3CCC(c4cncn4C)CC3)n2)C[C@@H]1N(C)C 1875398169 DZHOLLXLDVCGRT-ZWKOTPCHSA-N 385.516 1.359 0 50 GDAA CCc1ccccc1CN1CC2(C[C@@H](NC(=O)c3nnn(C)n3)c3nccn32)C1 2332237883 PSOHRWLPXFHYFP-MRXNPFEDSA-N 392.467 1.055 0 50 GDAA CCc1nn(C)c(CC)c1CC(=O)NC[C@@H]1C[C@H](C(=O)N(C)[C@@H](C)CC)CO1 2332237947 RWSNBOPZNPOBOJ-JYJNAYRXSA-N 392.544 1.866 0 50 GDAA C[C@@H](C(=O)NC[C@@H]1C[C@H](C(=O)NCc2cnn(C)c2)CO1)c1ccsc1 2332238110 ZLDRSZBLVLKXQV-KCXAZCMYSA-N 376.482 1.423 0 50 GDAA Cc1nc(CCNC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n[nH]1 2356153444 HNRVZOIPOWKNIC-AFBRZQFHSA-N 380.452 1.104 0 50 GDAA Cc1cc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n(C)n1 2356159110 MJDFVBBAVIRNDD-SFHVURJKSA-N 390.513 1.253 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@]4(CNC(=O)O4)C3)cn12 2356164242 LBLRSUVRJUMDQW-IBGZPJMESA-N 380.408 1.449 0 50 GDAA Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1C 6819004 VDLPQBDGPRGICR-UHFFFAOYSA-N 377.466 1.915 0 50 GDAA CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55344114 LOVAQYHLWQYOSN-HNNXBMFYSA-N 385.867 1.304 0 50 GDAA COCCN1CC[C@]2(CCC1=O)CN(c1ccnc(SC)n1)CCN2C 107405078 MWOQOSLTNRKMAL-GOSISDBHSA-N 379.530 1.348 0 50 GDAA CC[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CCN1CCOC 117371741 MXNUDMAKZUMYCA-CQSZACIVSA-N 381.502 1.008 0 50 GDAA Cc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 67614141 RWCCTYOADQDOFX-UHFFFAOYSA-N 391.497 1.320 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 328628301 NNACITMFECUQFB-MRXNPFEDSA-N 381.502 1.524 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cnn(C(C)C)c2C)cn1 328622286 IKCYPDJORDQTCY-INIZCTEOSA-N 379.486 1.601 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)c(F)c2)cn1 328636833 VRGSNWCJDMGTES-MRXNPFEDSA-N 383.420 1.722 0 50 GDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@H]1CC(=O)N1CCSCC1 12203107 HBMIRAVCDHHJMD-HNNXBMFYSA-N 385.892 1.745 0 50 GDAA Cc1nnsc1CNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71422306 KAWYKRXWIKGOLY-CYBMUJFWSA-N 389.481 1.452 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccoc3C)CC2)C1 71764402 DNNRORYJMLSOGK-INIZCTEOSA-N 377.485 1.667 0 50 GDAA O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1(N2CCOCC2)CCC1 378371926 QOGGXDFOVWBVMR-UHFFFAOYSA-N 390.503 1.319 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCOCC3)[C@@H]4C2=O)c1 77299848 RVDRDCNYYAWYGO-JYLXEMOASA-N 398.459 1.226 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)CCC(C)(C)O)CO2 71754464 PGECVPGYRVLEBH-HNNXBMFYSA-N 377.485 1.595 0 50 GDAA O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCOC[C@H]1c1nc[nH]n1 375105180 KTSSDASOZAFBEP-LJLILKBBSA-N 399.270 1.941 0 50 GDAA CNC(=O)c1ccn([C@H]2CCCN(C(=O)c3cnc(OC)c(Cl)c3)C2)n1 284884438 LGGLYHUHKMAWEQ-LBPRGKRZSA-N 377.832 1.777 0 50 GDAA CC(C)CN1CCN(Cc2ccccc2OCC(=O)O)[C@H]2CS(=O)(=O)C[C@H]21 72454353 LPRVRSQNIRTXPX-SJORKVTESA-N 396.509 1.089 0 50 GDAA COCCn1c(S)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17078154 RCALOOJVBQEQFI-ZDUSSCGKSA-N 382.511 1.782 0 50 GDAA CC(C)N1CCC(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)CC1 82167163 GLLOXPNNXWQZAI-UHFFFAOYSA-N 376.549 1.980 0 50 GDAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2)n[nH]1 221206773 AETNFVYTBWDNDX-QGZVFWFLSA-N 383.452 1.605 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(Cl)cc3)cc2C1 91444481 CBNOIGHPZJLENT-UHFFFAOYSA-N 382.873 1.632 0 50 GDAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(Cc2ccccc2)C[C@@H]1CO 91547832 DJBUKFOHFRGZPE-HXUWFJFHSA-N 377.448 1.586 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cnn(-c3ccccc3)c1)C2 95354774 OMMRMPNDHNYCMO-VQIMIIECSA-N 389.525 1.575 0 50 GDAA CCn1nc(C)c(NC(=O)N2CCO[C@@H](Cc3nc(COC)no3)C2)c1C 96133194 BLWDAHFDNSKOFG-ZDUSSCGKSA-N 378.433 1.525 0 50 GDAA Cn1c(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)nc2ccccc21 95368789 RCZNSEYLUMVKBL-HNNXBMFYSA-N 377.448 1.676 0 50 GDAA Cc1cc(F)ccc1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 95385148 FVFTXOSCVPUZIL-CTNGQTDRSA-N 391.531 1.914 0 50 GDAA CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 95507224 MBSOLOSDYPMTHK-OAHLLOKOSA-N 377.489 1.600 0 50 GDAA CCn1ncc(S(=O)(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1C 252540612 PRKYDNJQUWDGAX-JKIFEVAISA-N 380.470 1.406 0 50 GDAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)c1 55183396 UGHKITAQIJEDIK-IBGZPJMESA-N 385.439 1.841 0 50 GDAA Cc1cc(CC(=O)NCC2CCN(C(=O)c3c(C)nc4ncccn34)CC2)on1 827861548 MQOCIVZEBUSDTH-UHFFFAOYSA-N 396.451 1.545 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)C1=NN(c2ccc(F)cc2)C(=O)CC1 1875400978 PCRGBHXTDOGYSI-FSPWUOQZSA-N 399.426 1.461 0 50 GDAA CCc1cc(C)nc(N2CCN(CCNC(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)n1 1875312368 MAAQXSCLDGERQA-OAHLLOKOSA-N 399.543 1.729 0 50 GDAA CC(C)n1cc2c(n1)[C@H](O)CC1(CCN(C(=O)Cn3ccccc3=O)CC1)O2 1875394371 HDVVAAFURNJSMO-OAHLLOKOSA-N 386.452 1.503 0 50 GDAA Cc1ncnc(N2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)c1C 952989090 HDCMEILAZKNLTM-UHFFFAOYSA-N 377.452 1.945 0 50 GDAA O=C(Nc1cc(F)c(F)cc1I)N1C[C@H](O)[C@@H](O)C1 278186571 SSHUONBPWDMIQA-UWVGGRQHSA-N 384.120 1.139 0 50 GDAA CC(=O)c1cnc(N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)nc1C 1704332502 YLUSPBOOSOLPOJ-DHHCDUQHSA-N 377.492 1.967 0 50 GDAA OC[C@@]12CN(Cc3ccc4c(c3)CCO4)C[C@H]1CN(c1noc(C3CC3)n1)C2 1772819688 ZJPDYGMMNMEFJF-UWJYYQICSA-N 382.464 1.813 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@]2(CO)C1 1775983544 NCXOWNVITSPFJH-IIBYNOLFSA-N 399.470 1.320 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@H]3CN(Cc4ncc[nH]4)C[C@]3(CO)C2)cc1C 1772819578 PKAICHABPPZMLH-DYESRHJHSA-N 384.480 1.358 0 50 GDAA NC(=O)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12710101 ZQFBJCWFCHEMLU-INIZCTEOSA-N 393.491 1.840 0 50 GDAA Cc1cc(Br)ccc1NC(=O)C(=O)NCCCN1CCOCC1 19831224 AQGSWMSAFXULRG-UHFFFAOYSA-N 384.274 1.535 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N[C@H]3C[C@@H](Cn4ccnc4)C[C@@H]3O)ccc21 1857532852 URRQCNMSBWLCDG-SKDZVZGDSA-N 383.452 1.231 0 50 GDAA O=C(CC1=CCCC1)N1CC[C@]2(C1)Cn1c(CCn3cccn3)nnc1CO2 1857682726 MGFLKSDPUCFFON-FQEVSTJZSA-N 382.468 1.719 0 50 GDAA O=C(Cc1cccnc1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2cscn2)C1 1857694911 ZLHGGRUXRRQXFF-JXFKEZNVSA-N 399.520 1.510 0 50 GDAA O=C(CNc1cccnc1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733532 NKZBKEDMLFEUNU-OPYAIIAOSA-N 378.432 1.795 0 50 GDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCc4nc(=N)[nH][nH]4)C3)nc2c1 1857737333 HWPOSFLVHUMZIH-LBPRGKRZSA-N 399.455 1.332 0 50 GDAA Cc1nn(CC(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c(=O)c2ccccc12 1875241054 NGDSZGAIFSCKND-APWZRJJASA-N 378.432 1.162 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccn3ncnc3c2)cc1OC 1875243693 STHUDVSREXDKMB-HKUYNNGSSA-N 398.419 1.321 0 50 GDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3ccccc3)C[C@]23CC[C@H]1O3 1875244125 NOOGFVLCCQXWHQ-DODZYUBVSA-N 378.494 1.174 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccn3nccc3c2)cc1OC 1875251214 YTOKEFJBFWKTNA-PMACEKPBSA-N 397.431 1.926 0 50 GDAA COc1cc(CC(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)ccc1C 332687234 QEQGKLLAHMITMR-UHFFFAOYSA-N 395.506 1.959 0 50 GDAA COc1ccccc1CN(C)CCn1cc(C(=O)N2CCSCC2)nn1 11981347 PXJUCTRECZDGDM-UHFFFAOYSA-N 375.498 1.608 0 50 GDAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)s1 247971327 UYUQBQGTHLVGLC-OLZOCXBDSA-N 385.511 1.294 0 50 GDAA COC(=O)N(C)CCCC(=O)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 264284820 VRQTWNYUGVHPTA-UHFFFAOYSA-N 384.396 1.938 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]4COC[C@H](CN4C)C3)c2)o1 1704327752 FWPJGICZMAHYFQ-WBVHZDCISA-N 391.493 1.910 0 50 GDAA COC(=O)N1CCN(c2ccc(NC(=O)Cc3cnn4ccccc34)cn2)CC1 843598822 FDWHRCKDECXJFP-UHFFFAOYSA-N 394.435 1.799 0 50 GDAA CCOCCN1C(=O)[C@]2(CCN(C(=O)Cc3c(O)n[nH]c3C)C2)c2ccccc21 2100547865 PNUCUNFBOWQAMT-NRFANRHFSA-N 398.463 1.520 0 50 GDAA Cc1c(N)nc(-c2ccccn2)[nH]c1=NCc1ccc(N2CCN(C)CC2)nc1 2325764382 ZFRMOEFQDZZLLW-UHFFFAOYSA-N 390.495 1.610 0 50 GDAA NC[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](c3cc(O)cc(F)c3)C2)CC12CCC2 2325778333 SJFKZNNTVSRUGA-SPLOXXLWSA-N 389.471 1.873 0 50 GDAA CC1(C)[C@@H](CN)C[C@H](C(=O)N2CCc3ccc(Cl)c(F)c3C2)S1(=O)=O 2325780103 HOLZWZWXYXNWNB-BXUZGUMPSA-N 388.892 1.904 0 50 GDAA COC(=O)c1cc(COC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)nn1C 2325792479 ICUCCEBBPMVYQO-AWEZNQCLSA-N 375.356 1.442 0 50 GDAA O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCOC[C@H](n2cncn2)C1 2325804182 YWWMTPLWFFDQAG-CQSZACIVSA-N 391.478 1.664 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 2325884667 HVDLSNABGRLTOV-UHFFFAOYSA-N 384.263 1.922 0 50 GDAA O=C(O)c1nn(-c2ccccc2)nc1-c1nn(-c2ccccc2)nc1C(=O)O 752234 UNBAICFIWJSVJP-UHFFFAOYSA-N 376.332 1.911 0 50 GDAA COc1cc(CN2CCN(Cc3ccc(CO)o3)C[C@H]2CCO)cc(OC)c1 104421237 MTJJZHJSIIDNOS-QGZVFWFLSA-N 390.480 1.858 0 50 GDAA Cn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 12444796 ZMNNITAYSJANQJ-OAHLLOKOSA-N 393.850 1.220 0 50 GDAA COc1ccccc1CN1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72430333 GGNIFJIGGABFTO-DLBZAZTESA-N 378.494 1.305 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)O)C(C)C)n2)c(F)c1 71329023 VNBMBDRLWBEOMG-QGZVFWFLSA-N 377.372 1.283 0 50 GDAA Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)c1=O 72473359 PSDSRYPCTMZLSC-CYBMUJFWSA-N 375.400 1.073 0 50 GDAA CN(C(=O)CN1CCNC(=O)[C@H]1Cc1nc2ccccc2o1)c1nccs1 372282301 MKIVTNJEMMRFIA-CYBMUJFWSA-N 385.449 1.290 0 50 GDAA CC(C)(CO)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71760963 RLEWLRPAUXVHTC-LJQANCHMSA-N 388.556 1.893 0 50 GDAA O=C(C[C@@H]1COCCN1C(=O)CCn1cc(Cl)cn1)NCc1ccncc1 72420027 LBJOKUUSXNKOES-MRXNPFEDSA-N 391.859 1.256 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1 451491454 FDKFQLDYDSYLDV-DOXZYTNZSA-N 396.509 1.534 0 50 GDAA CO[C@@](C)(C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1F 242389288 ZVWWUWGYRKJMPZ-GOSISDBHSA-N 382.432 1.785 0 50 GDAA COc1cccc(CN2CCN(c3nc(C(N)=O)cs3)C[C@@H]2CCO)c1 72420421 FYOXHBCTDNXZTM-AWEZNQCLSA-N 376.482 1.324 0 50 GDAA CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 223774310 PZPBQUYQRMNGMZ-RTBURBONSA-N 378.494 1.854 0 50 GDAA Cc1cccc(N(CC(=O)N2CCC(c3ncon3)CC2)S(C)(=O)=O)c1 426727562 WTHMDIRTNUGINL-UHFFFAOYSA-N 378.454 1.550 0 50 GDAA Cc1cnn([C@H]2CCN(C(=O)[C@H](Cc3ccc(F)cc3)n3nnnc3C)C2)c1 290843747 CMTYFXOSWKXBGB-ROUUACIJSA-N 383.431 1.883 0 50 GDAA CCCc1ncncc1-c1nc(C)nn1-c1cc(S(N)(=O)=O)ccc1F 96151042 MEKKFRXANPVESY-UHFFFAOYSA-N 376.417 1.772 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2conc2-c2ccccc2)C[C@H]1NS(C)(=O)=O 95498930 ZNFULAWOLIVUHT-GOEBONIOSA-N 377.466 1.987 0 50 GDAA Cc1nn(CCC(N)=O)c(C)c1-c1cccc(C(=O)NCCN2CCCC2)c1 426498349 AODAJWYRHKSEBC-UHFFFAOYSA-N 383.496 1.868 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4ccc(N)nc4)C3)CCC2=O)cn1 91708210 NFDGTNOBUVQKKL-NRFANRHFSA-N 394.479 1.807 0 50 GDAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)[C@@H]21 239125119 JYDHLXGBRQCSMI-AHCXZYCDSA-N 388.489 1.854 0 50 GDAA Cc1noc(C)c1CCCNC(=O)Cn1nnnc1CN1CCCCCC1 95521738 MEPLBZFEGUPDPH-UHFFFAOYSA-N 375.477 1.403 0 50 GDAA COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccccc23)cc1 253382961 JXRAZCDBRRPSJV-FBQDUUAQSA-N 381.432 1.840 0 50 GDAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(C(=O)O)CC2)c1 299436543 YYQHAPBQMAHNQV-UHFFFAOYSA-N 391.243 1.033 0 50 GDAA Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)n1-c1ccc2c(c1)OCCO2 299748847 IKPCXXMGKOAURN-MRXNPFEDSA-N 386.404 1.791 0 50 GDAA CC(C)[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1nccn1C 534650050 JZOAXPGMLKXKAJ-QGZVFWFLSA-N 376.505 1.067 0 50 GDAA COCCN1C(=O)C[C@@](CC(=O)N(C)CC(C)C)(c2ccccc2OC)C1=O 299770380 SRRZFVSZXWHRFD-NRFANRHFSA-N 390.480 1.843 0 50 GDAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(C)c1=O 824134623 SUXQPMQGOLDEII-LBPRGKRZSA-N 377.393 1.817 0 50 GDAA biogenic O=C(Cn1ccccc1=O)N1CCC2(CC1)CN([C@@H]1CCSC1)CCO2 827921406 SGKFWILTOUQINF-MRXNPFEDSA-N 377.510 1.047 0 50 GDAA CCOC(=O)c1sc(-c2cccc(C(=O)N[C@@H]3CNC[C@H]3O)c2)nc1C 584886979 HKPAZOSLNYRDAW-ZIAGYGMSSA-N 375.450 1.358 0 50 GDAA CN(C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O)C1Cc2ccccc2C1 584897120 ONSUYQTXPHKPER-QGZVFWFLSA-N 379.526 1.999 0 50 GDAA COCCOC[C@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)CCO1 1875298375 YUXQGPXTQBPMOV-QGZVFWFLSA-N 394.443 1.385 0 50 GDAA O=C(c1cc(Cl)nc(Cl)c1)N1CCC(N2CCNS2(=O)=O)CC1 1875367449 CEBHOWMMOCUVBZ-UHFFFAOYSA-N 379.269 1.143 0 50 GDAA CO[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC=CCO2)CCOCC1)c1ccccc1 1875344073 DAQUUKOFIGWVOZ-ZWKOTPCHSA-N 388.464 1.501 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4n3CCCCC4)C2)n1 1875397063 JLAWJLDQWDSLQW-MRXNPFEDSA-N 397.527 1.744 0 50 GDAA NC[C@H]1CN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CCO1 952971166 FVQVLYNIMMWKNU-INIZCTEOSA-N 378.432 1.250 0 50 GDAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1776003979 HUIUXYQBAAKAQI-AWEZNQCLSA-N 383.489 1.288 0 50 GDAA CC(C)(C)c1ncc2c(n1)CCN(C(=O)CCc1cccc3c1B(O)OC3)C2 1776002960 OIVDXJGOUZCWCI-UHFFFAOYSA-N 379.269 1.509 0 50 GDAA Cc1nc2ccccc2nc1CN1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 1565530493 PCFRVIISFAQBBA-ICSRJNTNSA-N 377.448 1.698 0 50 GDAA CN(C)c1ccc(CC(=O)N2CC[C@H](NC(=O)c3ccccc3)[C@@H](O)C2)cc1 1565530679 AZILNWGHDXGZNI-PMACEKPBSA-N 381.476 1.687 0 50 GDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCC3)c2)CC1 408521520 XJZRQPUFTYWINU-KRWDZBQOSA-N 395.525 1.502 0 50 GDAA O=S(=O)(CCO)c1ccc(CNC(=S)NCCc2ccccn2)cc1 790358085 XNVTXSTXRRTSFL-UHFFFAOYSA-N 379.507 1.054 0 50 GDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCn1cncn1 1506420100 UJOHJIQNJGQYOL-UHFFFAOYSA-N 391.331 1.832 0 50 GDAA Cc1csc(CCNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n1 1529120804 LGDKFCRCBAWPKA-MSOLQXFVSA-N 386.477 1.636 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529152954 NUFNQBMVRUCMBI-IEBWSBKVSA-N 379.464 1.782 0 50 GDAA CO[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1O 1704309286 PSJNACRRSRDCFH-BPQIPLTHSA-N 396.509 1.004 0 50 GDAA Cc1nn(CC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c(=O)c2ccccc12 1775978276 QKKTWJNQZJNRAR-OAQYLSRUSA-N 377.448 1.935 0 50 GDAA COc1cccc(CCC(=O)N2C[C@H]3CN(Cc4cncnc4)C[C@@]3(CO)C2)c1 1772808379 ONPUGGVGEJJYQY-KNQAVFIVSA-N 396.491 1.371 0 50 GDAA CCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnc3)C[C@@]2(CCc2ccccc2)C1 1772711334 XXWKEHFKJNFPMY-DENIHFKCSA-N 395.507 1.998 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2cccnc2)CC1 11665064 JKRRFSTWFRFBAW-FQEVSTJZSA-N 375.513 1.990 0 50 GDAA CN(Cc1cnn(C)c1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11842593 RULKKZWGQYIKOC-IBGZPJMESA-N 378.423 1.684 0 50 GDAA O=C(C1CC1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857668384 VRVLCPAJZVZFOF-SFHVURJKSA-N 376.428 1.833 0 50 GDAA COCC(=O)N[C@@H]1CN2CCCC[C@]2(C(=O)N2CCC3(CCOCC3)CC2)C1 1857684882 ISHFIQDYKTZQHR-LAUBAEHRSA-N 393.528 1.165 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)[nH]1 1857723504 IXFXSSZLMCQJAP-UEXGIBASSA-N 379.416 1.598 0 50 GDAA CCS(=O)(=O)N1CCc2c(ncn(Cc3nc(C(C)(C)C)cs3)c2=O)C1 328629011 HTPBRBWWGZCGOR-UHFFFAOYSA-N 396.538 1.753 0 50 GDAA O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCCCN1CCNCC1 237854000 JSXJUHZYNDENSD-UHFFFAOYSA-N 393.841 1.967 0 50 GDAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1OCC(N)=O 363306177 HAQAWUANYZCDOZ-INIZCTEOSA-N 397.431 1.803 0 50 GDAA NC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCO1 265404787 BLVOMKYGSICHOA-AWEZNQCLSA-N 387.396 1.244 0 50 GDAA Cc1ccc(N2C[C@@H](C(=O)N(C)CCNS(C)(=O)=O)CCC2=O)cc1C 1253749331 GIEJWPUGCGNBTD-HNNXBMFYSA-N 381.498 1.054 0 50 GDAA O=C(NCc1c(F)cc(F)cc1F)N1CCC(N2CCCS2(=O)=O)CC1 840379502 LOGYJGFZSGGNTA-UHFFFAOYSA-N 391.415 1.813 0 50 GDAA CCNC(=O)CN1C(=O)[C@]2(CCN(C(=O)c3cccc(O)n3)C2)c2ccccc21 2100548210 XEHRUQBIXSHXNI-NRFANRHFSA-N 394.431 1.054 0 50 GDAA Cn1cc(C2CCN(S(=O)(=O)c3cc(Br)nn3C)CC2)cn1 2325775848 CALWJBANUTXTEX-UHFFFAOYSA-N 388.291 1.484 0 50 GDAA CN=c1[nH]c(N2C[C@@H]3CS(=O)(=O)C[C@]3(c3ccccc3)C2)ncc1Cl 2325780820 RHXVQRUKFZQQNP-DYVFJYSZSA-N 378.885 1.396 0 50 GDAA CN1CCN(c2ncc(C(=O)N3CC[C@H]4CC[C@]43c3cnn(C)c3)s2)CC1 2325783808 CONJXYFZLCSLCV-AUUYWEPGSA-N 386.525 1.780 0 50 GDAA C[C@H]1CN2C(=O)[C@H](Cc3c[nH]c4cccc(Br)c34)NC(=O)[C@@H]2CO1 2325801483 KTBYZPIFTFZTLI-HERUPUMHSA-N 392.253 1.587 0 50 GDAA COCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 2976089 WBJCUTWVUBKWAD-UHFFFAOYSA-N 388.795 1.887 0 50 GDAA CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)NC(=O)N[C@]1(O)C(F)(F)F 4269758 NIJSHWGTKMTGBK-ZIBATOQPSA-N 392.330 1.488 0 50 GDAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1 4769697 FKCTVIOGOQNMFR-UHFFFAOYSA-N 385.449 1.985 0 50 GDAA CCCCn1c(CN(C)C[C@H](O)CO)cnc1S(=O)(=O)CCCC(C)C 11663534 HCMBTYCDUPLJSX-KRWDZBQOSA-N 389.562 1.678 0 50 GDAA O=C(CCC1CCN(Cc2ccc(OCCO)cc2)CC1)N1CCOCC1 12759120 VMGHQGPVHUUOOE-UHFFFAOYSA-N 376.497 1.909 0 50 GDAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14536310 RCMWWWWPBAWWIW-UHFFFAOYSA-N 382.468 1.634 0 50 GDAA Cc1c(-c2ccnc(N3CCN(C)CC3)n2)cnc2nc(-c3cccnc3)nn12 54202011 RWZDXLGSKIFVMY-UHFFFAOYSA-N 387.451 1.704 0 50 GDAA O=C1N[C@](c2cccnc2)(C2CCNCC2)C(=O)N1Cc1ccc2c(c1)OCO2 67642051 DSMLKYQJQZWCMP-NRFANRHFSA-N 394.431 1.757 0 50 GDAA CCN1CCN(Cc2cc(C(=O)NCc3cn4cc(C)ccc4n3)no2)CC1 67754868 YLWODYIOLKTZKM-UHFFFAOYSA-N 382.468 1.698 0 50 GDAA CC(C)c1cncnc1N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 71748005 GIHOIAGDNYNGLS-DLBZAZTESA-N 375.473 1.332 0 50 GDAA NCc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1 72129546 OJTYERKPPWAVAA-UHFFFAOYSA-N 376.434 1.531 0 50 GDAA COc1ccc(C(C)C)cc1CN1CCN(C(C)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 72409722 ZOEIGITZGCPUNT-ZWKOTPCHSA-N 380.510 1.648 0 50 GDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1sccc1S(N)(=O)=O 72422837 JZRFQPOZDOLTRB-UHFFFAOYSA-N 378.435 1.718 0 50 GDAA CCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSc1ccncc1 82093034 BHEOWMRWJQPFMZ-STQMWFEESA-N 375.491 1.442 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 91817826 PIZHZQGXGMPWOQ-INIZCTEOSA-N 385.516 1.966 0 50 GDAA O=C(N1CCCC1)N1CC[C@]2(O)CCN(CCn3cc(Cl)cn3)C[C@@H]2C1 95390368 KZTHRTHQQNWXLK-CRAIPNDOSA-N 381.908 1.511 0 50 GDAA O=C(CN1CCOCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95390787 VRMRXNUQVAVQOD-MTNREXPMSA-N 399.491 1.136 0 50 GDAA OC1CCN(C[C@@H](O)COc2cccc(CN3CCC4(CCO4)CC3)c2)CC1 95528864 ZTLVSHUFDQNQNA-HXUWFJFHSA-N 390.524 1.638 0 50 GDAA CN(C)C(=O)c1n[nH]c2c1CN(c1ncnc3c1Cc1ccccc1OC3)CC2 96131239 XCEYIRSUYGTHOC-UHFFFAOYSA-N 390.447 1.947 0 50 GDAA Cc1cc(=O)n(CC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)nc1C 96138648 NMDPXJRWBVKBAP-HRAATJIYSA-N 397.431 1.025 0 50 GDAA CN1CC(=O)N(c2cccc(NC(=O)NCC3(Cn4cccn4)CC3)c2)C1=O 96163695 FDRDMTKFNTWXIB-UHFFFAOYSA-N 382.424 1.883 0 50 GDAA CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)CC2 114862598 ZMNWCCGMSFSUEV-NSHDSACASA-N 397.888 1.610 0 50 GDAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1C 119048160 QDAYEMHGKOLKDT-OAHLLOKOSA-N 391.497 1.134 0 50 GDAA C[C@H](c1cccs1)N(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 119857232 SORQKDQXBHMUIF-GFCCVEGCSA-N 379.507 1.978 0 50 GDAA C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCNC[C@@H]1C 126136805 CMIPKVMAOSLJSY-NEPJUHHUSA-N 389.315 1.679 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN(Cc3ccccc3)C1)CC2 137858274 ZDFJEJSTTCFPJM-ROUUACIJSA-N 383.496 1.768 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2CN)cc1OC 156103276 NTCIQWIJGZCOBD-VIFPVBQESA-N 379.276 1.578 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)c3cncn3-c3ccc(F)cc3)C2=O)n(C)n1 174974917 GUPNNZOXRSAWLA-INIZCTEOSA-N 396.426 1.979 0 50 GDAA C[C@H](CNC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1)CN1CCOCC1 187083954 YRFCEFOGVFTAAD-OAHLLOKOSA-N 376.505 1.087 0 50 GDAA Cc1noc(C)c1CCC(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1 223089741 KUOAWHUWTQPGIW-GOSISDBHSA-N 375.473 1.448 0 50 GDAA COc1c(CNCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)nn1C 237139557 SMCUJBDXNOPAEU-UHFFFAOYSA-N 384.424 1.388 0 50 GDAA O=C(NCc1noc(C(F)(F)F)n1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 253428087 OTKBBLSMHLGDDI-SNVBAGLBSA-N 375.351 1.632 0 50 GDAA COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1c(O)ncc(C(=O)OC)c1O 253623978 XEXYKCBIXGRXMM-LBPRGKRZSA-N 391.376 1.475 0 50 GDAA biogenic CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)C1 262506813 JKDURHKGYYJWOF-GOEBONIOSA-N 395.500 1.053 0 50 GDAA O=C(O)c1cnc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1 263442388 QBKQDWNHWAJFBK-ZDUSSCGKSA-N 390.346 1.374 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)cn1C 264777622 SUWSITDEQPXVLX-ZDUSSCGKSA-N 382.511 1.848 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)NCCCC(C)(C)CO)CC2)cc1 267948799 SMYAVIGKPMCRNB-UHFFFAOYSA-N 377.485 1.961 0 50 GDAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc5nc(O)nc(O)c5c4)[C@@H]1[C@H]3C2 285242755 GSLMMFOWOCMWFU-UBSPAHDZSA-N 377.422 1.085 0 50 GDAA CC(C)c1nccc(N2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)n1 328604208 IXWGWWBDALPBMC-RDJZCZTQSA-N 384.484 1.569 0 50 GDAA NS(=O)(=O)[C@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 331596147 CGTRIFCTAHRRGX-KBPBESRZSA-N 391.415 1.564 0 50 GDAA Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 426380346 HPFZCFASWCAMES-LJQANCHMSA-N 388.468 1.389 0 50 GDAA CCCNC(=O)c1cccnc1-c1ccc(C(=O)N2CCN(C)C(=O)C2)cc1 426490742 RJOPGMDXLCYUFF-UHFFFAOYSA-N 380.448 1.803 0 50 GDAA O=C(Cn1cnc2ccsc2c1=O)NCCc1nc(-c2ccccn2)no1 670441957 ZIISECKAFZOHTG-UHFFFAOYSA-N 382.405 1.262 0 50 GDAA OC1CCN([C@H]2CCN(Cc3ccc(CN4CCCC4)s3)C[C@@H]2O)CC1 1614345642 RTUNISSRHULSPQ-PMACEKPBSA-N 379.570 1.736 0 50 GDAA CCCc1nc(C)cc(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@@]3(CO)C2)n1 1772810509 KQBKPPUFFDYFPI-HRAATJIYSA-N 398.511 1.350 0 50 GDAA C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1)c1ccccc1 1775990440 XIYDPNQZXIHFND-WBVHZDCISA-N 385.464 1.389 0 50 GDAA COCCN1CC[C@@H](C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)C1 1857671082 MRCKHLMPJPEPDW-GOSISDBHSA-N 382.508 1.983 0 50 GDAA COc1ccc(NC2(C(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)CCCCC2)cc1 1857673541 KQLAYJLWGULFOJ-KSZLIROESA-N 378.469 1.437 0 50 GDAA O=C(NC[C@@H]1CCCO1)[C@@]12CCCCN1C[C@@H](Nc1ncc(Cl)cn1)C2 1857692210 UJFMHGLUVHMHOQ-MPGHIAIKSA-N 379.892 1.834 0 50 GDAA COc1cccc(C(=O)N[C@@H]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C2)c1OC 1857695894 CTECBNWCRFWSTB-UONOGXRCSA-N 386.452 1.745 0 50 GDAA COCCn1nnc([C@@H]2CN(C(=O)c3cc(OC)c4ccccc4n3)CCO2)n1 1857721764 FBAYJNZDAPAFSI-KRWDZBQOSA-N 398.423 1.090 0 50 GDAA COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](N)[C@H](OC)C3)CC2)cc1 1857727918 FTZMIARWLBVKJO-CGTJXYLNSA-N 375.469 1.264 0 50 GDAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857733726 WHQVKRKNKNLFPF-UEXGIBASSA-N 389.415 1.873 0 50 GDAA CC(C)N(C)Cc1ccc(O[C@@H]2CCN(C(=O)c3cn4cnnc4cn3)C2)nc1 1875295047 COEWNLOETZEPOB-MRXNPFEDSA-N 395.467 1.653 0 50 GDAA O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CC(NS(=O)(=O)C2CC2)C1 1875306707 CMVZJVNLWRNBNK-UHFFFAOYSA-N 391.424 1.919 0 50 GDAA CCO[C@@H](C(=O)N1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1)C1CC1 1875309817 PARKIZACNJVDIB-DOTOQJQBSA-N 391.468 1.714 0 50 GDAA O=C([C@H]1CCOC1)N1CC[C@](Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1 1875324743 LKNVTWGUXWKPGU-SCLBCKFNSA-N 390.465 1.270 0 50 GDAA Cn1cccc1C(=O)N1CC[C@@](C)(NC(=O)CNC(=O)c2cccc(F)c2)C1 1875326317 PNTRYCVIZJEPQL-HXUWFJFHSA-N 386.427 1.315 0 50 GDAA Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N1CCc2c(O)nc(O)nc2C1 1875345989 OVEBCTQLGRSUTO-UHFFFAOYSA-N 381.458 1.203 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1 1875365721 SLNDOMRGCNDMHK-IBGZPJMESA-N 383.492 1.761 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)Nc3nccs3)CC2)C1 1875370802 DUPITOLJZGKTEJ-AWEZNQCLSA-N 376.482 1.745 0 50 GDAA NCc1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc4sccc4c3)C2)nn1 2325752352 MCMOJRKOVHUIBQ-HNNXBMFYSA-N 384.465 1.754 0 50 GDAA O=C(Cc1csc(-c2cnccn2)n1)N1CCc2nc[nH]c2[C@@]12CCNC2 2325768805 QDXXJRPSAJTCGT-SFHVURJKSA-N 381.465 1.139 0 50 GDAA CC(C)(C)n1nnc(CN2CC[C@]3(NC(=O)COCC(F)F)CCC[C@@H]23)n1 2325794531 FZYWSANLCNHKTA-SJKOYZFVSA-N 386.447 1.323 0 50 GDAA CN(C)Cc1nc2ccc(NC(=O)[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2[nH]1 2325822149 GLETWXBFCBFXSR-AWEZNQCLSA-N 381.440 1.350 0 50 GDAA CCCc1nc(C)c(C(=O)N[C@H](CC)CNC(=O)[C@H]2CCNC(=O)C2)s1 2325826886 PHNKBHIJCKWNLB-QWHCGFSZSA-N 380.514 1.555 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OCC4[C@H]5CC[C@H]45)cc3C2=O)C(=O)N1 2325900626 CFGMZRUXQHVKAM-ZQIUZPCESA-N 397.431 1.330 0 50 GDAA COc1cc(-c2ccc(C(=O)N3CCO[C@@H](C(=O)N(C)C)C3)cc2)c(=N)[nH]c1C 2356140360 GBGJIHHZUUJQGE-GOSISDBHSA-N 398.463 1.407 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1Nc1cc(O)ncn1 2356144417 WVSFZSKLSYTGMK-ARFHVFGLSA-N 388.472 1.571 0 50 GDAA CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C(N)=O)CO1 6669554 PNBSFXMGFOMPRR-UHFFFAOYSA-N 387.461 1.953 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 6742049 GHTWHFQKGIYFBZ-DLBZAZTESA-N 394.493 1.719 0 50 GDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)COc3ccccc3)CC2)n1 9620724 MFJJJMPREVXKKS-UHFFFAOYSA-N 397.479 1.349 0 50 GDAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)Cn2cnnn2)C1 12209246 MBEPCJSEPLIUOU-LJQANCHMSA-N 387.440 1.096 0 50 GDAA Cc1nc(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@H]2CCCO2)cs1 12446661 QKOADPJKLJGTQB-OAHLLOKOSA-N 384.527 1.863 0 50 GDAA COc1ccc(CN2C[C@H](OC)CN(C(=O)CCc3cnccn3)CC2=O)cc1 14741279 HKGLTTRZLDYGFB-IBGZPJMESA-N 398.463 1.304 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 14749520 CQKYZZCXIAOFDG-LEWJYISDSA-N 377.488 1.873 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 20271455 IXVKCMMPWWHVGN-NRFANRHFSA-N 398.551 1.924 0 50 GDAA O=C(c1ccc(NCc2nnn[nH]2)nc1)N1CCC(Oc2cccnc2)CC1 67695166 SQORIARERBEOFR-UHFFFAOYSA-N 380.412 1.285 0 50 GDAA O=C(NC[C@H](O)c1ccccc1Cl)c1cc(CN2CCC(O)CC2)on1 67741565 XGRPSJUKKSAGCH-KRWDZBQOSA-N 379.844 1.748 0 50 GDAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1 67804490 DXXFSCGYFPCPBJ-GOSISDBHSA-N 379.464 1.586 0 50 GDAA Nc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ccn1 67885130 IBEDTTZIHKIUPY-KRWDZBQOSA-N 385.512 1.603 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ccoc1)CO2 71708017 PTGZEKCNCMXQES-INIZCTEOSA-N 387.436 1.560 0 50 GDAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1 71764614 XKSZBUNWTWEEMM-CQSZACIVSA-N 389.427 1.588 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1 72437483 SRWJDHIKSCCMMU-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CCc1c(C)nn(CC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1C 91270341 DUPNPQBRXLQEDX-QUCCMNQESA-N 392.544 1.384 0 50 GDAA CCN1CCN(C[C@@H]2CN(Cc3cc(C)c(OC)cc3C)C[C@@H]2CO)CC1 91650957 KDOLEUPLEDSJTN-NHCUHLMSSA-N 375.557 1.990 0 50 GDAA Cn1cnc(S(=O)(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c1 91746597 JEFRBIPHPWQVBR-GOSISDBHSA-N 380.514 1.756 0 50 GDAA CCN1C[C@@H](C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CC1=O 91997941 QYRMJZJOCAYAHO-INIZCTEOSA-N 375.469 1.087 0 50 GDAA O=C(c1ccc2[nH]c(CO)nc2c1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95503715 AYEWAMOWXZEXOF-QVKFZJNVSA-N 379.416 1.666 0 50 GDAA CCN(CC(F)(F)F)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1 215183267 NYXMLFHJDVBBMT-GFCCVEGCSA-N 379.404 1.351 0 50 GDAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 222364440 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0 50 GDAA CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 252523144 BZDGGBDRHIPNBF-LBPRGKRZSA-N 379.404 1.935 0 50 GDAA Cc1ncc2c(c1CNC(=O)Cn1cc(C(N)=O)c3ccccc31)CCNC2 72165868 VSZBJIXBRAFFSU-UHFFFAOYSA-N 377.448 1.406 0 50 GDAA O=C([C@@H]1CC2(CCNCC2)CN1)N1CCN(Cc2ccc(Cl)nc2)CC1 72159213 DIYKABXQCDZIMB-INIZCTEOSA-N 377.920 1.111 0 50 GDAA C[C@H](O)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77377156 RCLHXBUICITDQV-LBPRGKRZSA-N 395.506 1.229 0 50 GDAA CC(C)(C)N1C[C@@H](NC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)CC1=O 332761250 SBBAFPLRVNUCIR-IRXDYDNUSA-N 386.496 1.529 0 50 GDAA Cc1oc2nc(CN3CCN(c4ncccc4C(N)=O)CC3)nc(N)c2c1C 154328306 KVPBPCQNMXOAAW-UHFFFAOYSA-N 381.440 1.238 0 50 GDAA COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC[C@@H](C4CC4)C3)c2)nn1 365799644 NUTRSKAMONYMMN-CQSZACIVSA-N 397.435 1.641 0 50 GDAA C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 155330317 YXYCHEBUHJKYDB-KNQAVFIVSA-N 387.572 1.976 0 50 GDAA O=C(CN1CCC[C@@H]1C1CC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 377533136 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O=C(NCCCN1CCCC[C@H]1CO)N1CCN(Cc2ccc(F)cc2)CC1 426489516 IADMQDANUASDFP-FQEVSTJZSA-N 392.519 1.890 0 50 GDAA COc1ccccc1N1CCN(C(=O)CC[C@@H](C)N2CCOCC2)CC1=O 82097330 DRKGBBZZZLWCPB-MRXNPFEDSA-N 375.469 1.371 0 50 GDAA Cc1nn(-c2cccc(C(=O)NCc3nc(O)n[nH]3)c2)c(=O)c2ccccc12 426414728 RSPKNLSUECYXKA-UHFFFAOYSA-N 376.376 1.448 0 50 GDAA CCN1CC[C@]2(CCC1=O)CN(S(=O)(=O)Cc1ccccc1)CCN2C 95381199 XSPIGKMTBYHRPP-LJQANCHMSA-N 379.526 1.535 0 50 GDAA O=C(c1cnc[nH]c1=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95380926 KFFDEVBMQPKZSM-KFKAGJAMSA-N 394.431 1.201 0 50 GDAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCc3cnn4cccnc34)ccc21 95357279 IVUQYXPCQPFGPC-UHFFFAOYSA-N 391.435 1.383 0 50 GDAA Cc1ccc(S(=O)(=O)/N=c2\ccc(Br)cn2CC(N)=O)cc1 95705178 PUGBSRGMLXOMEC-SAPNQHFASA-N 384.255 1.334 0 50 GDAA CC(C)c1nnsc1CNC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 97674435 FRKGVKMRFAUIGX-ZDUSSCGKSA-N 386.543 1.177 0 50 GDAA Cc1c(NC(=O)CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C 95526484 RIWPGMCAGVSBQY-OAHLLOKOSA-N 387.459 1.948 0 50 GDAA Cn1cccc1-c1cc(C(=O)N[C@@H]2CCN(Cc3cccnc3)C[C@H]2O)[nH]n1 244734593 NIKUZBIONNWCMC-DNVCBOLYSA-N 380.452 1.175 0 50 GDAA O=C1CC[C@]2(C(=O)NCc3cccnc3)N1c1ccccc1C(=O)N2C1CC1 181828656 GVEHVTFSYHQOIL-OAQYLSRUSA-N 376.416 1.839 0 50 GDAA Cn1nc(C(F)(F)F)c2c(NC(=O)[C@H]3CC(=O)N(c4nccs4)C3)[nH]nc21 1940197219 AABDPCRZKGPVBC-LURJTMIESA-N 399.358 1.763 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)NCc2nc(-c3ccccn3)no2)cc1 827848508 WBMONJPEWBBZOI-UHFFFAOYSA-N 376.380 1.275 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OC 269011607 XQTFLEHPFJPNNN-KRWDZBQOSA-N 389.496 1.401 0 50 GDAA C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc(-c2cccnc2)no1 670450676 XZNJSCNSZOWWAS-LLVKDONJSA-N 376.376 1.870 0 50 GDAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)CNC(=O)NC2CCCCC2)C1 1875395544 DHJBVNGYEMRYFU-WXTAPIANSA-N 384.546 1.871 0 50 GDAA C=CC(=O)NCCC(=O)N=[S@@]1(=O)CCOc2ccc(Br)cc21 1875369683 AZJSBYCMONOXCQ-JOCHJYFZSA-N 387.255 1.887 0 50 GDAA CCOC1CC2(C1)C[C@H]2C(=O)N1CC[C@H](n2cc(-c3ccc(=N)[nH]c3)nn2)C1 1875353360 PXXLPXXGZUZMHX-DQLYFJKKSA-N 382.468 1.731 0 50 GDAA CCN(Cc1nccn1C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875300291 WPATZIVCFXXXKX-MRXNPFEDSA-N 385.516 1.630 0 50 GDAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N(Cc1ccncc1)C1CC1 952967005 LOMXFFMDRWQQQK-SFHVURJKSA-N 377.510 1.472 0 50 GDAA CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)O)cc1 275322852 SNHQOKYNLFXBCP-CQSZACIVSA-N 384.502 1.369 0 50 GDAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc2ccn(C)c12 191600886 KSLPOSYUDAMKTI-UHFFFAOYSA-N 395.463 1.978 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)C1 1506423032 VXLZTWDRWQJMCK-QGZVFWFLSA-N 378.498 1.874 0 50 GDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616083774 IQPYVYXQSFRHGW-KXBFYZLASA-N 379.464 1.841 0 50 GDAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)c4csc(N)n4)C[C@@]3(CO)C2)co1 1772816503 OIBOMBIXNKQVGG-KZULUSFZSA-N 391.497 1.403 0 50 GDAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)c4csc(N)n4)C[C@]3(CO)C2)co1 1772816505 OIBOMBIXNKQVGG-SGTLLEGYSA-N 391.497 1.403 0 50 GDAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)Cc1ccc(F)cc1F 12244011 GYVKNVLKFWMKPM-UHFFFAOYSA-N 381.452 1.877 0 50 GDAA O=C1NCCN(Cc2ccccn2)[C@H]1CC(=O)N1CCOc2ccccc2C1 12318049 QXKZTVAALQGPHD-SFHVURJKSA-N 380.448 1.193 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]12 14543257 KSTOBCISRDOTQP-QZTJIDSGSA-N 397.862 1.734 0 50 GDAA Cc1cccc(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1 19145383 CIMUXSRUFKKNLR-UHFFFAOYSA-N 391.541 1.968 0 50 GDAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 19731508 MMQZAMARVHFGCT-HXUWFJFHSA-N 391.471 1.815 0 50 GDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@H](C2CCCCC2)C1 19758678 ZIRCWPCDURVUBY-SFHVURJKSA-N 390.532 1.714 0 50 GDAA Cn1cnc(C(=O)N2CCC3(CCC[C@H]3NC(=O)CCCn3cncn3)CC2)c1 1857679292 SBBZNTVCFLJSTE-QGZVFWFLSA-N 399.499 1.383 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NCc2noc(C3CCC3)n2)C[C@@H]1O)c1ccncc1 1857682581 JZUOIHZEGQYVJZ-JYJNAYRXSA-N 399.451 1.308 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CCO1 238129529 KCWXVOSFWWHUJS-GFCCVEGCSA-N 384.186 1.213 0 50 GDAA COc1ccc(-n2c(-c3ccco3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 6659395 IJWTWEAHTRUVOK-UHFFFAOYSA-N 391.387 1.944 0 50 GDAA C[C@@H](CCCN1CCS(=O)(=O)C(C)(C)C1)N1CCS(=O)(=O)C(C)(C)C1 2325771644 CJVHYULTECLHAO-HNNXBMFYSA-N 394.603 1.173 0 50 GDAA Cc1ccc2c(c1)N[C@@H](C(=O)N1CC[C@@H](c3cncc(F)c3)C1)NS2(=O)=O 2325810308 ICPRPPFGPJRAMS-SJKOYZFVSA-N 390.440 1.575 0 50 GDAA COc1cc(SC)ccc1NC(=O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2 2325817940 HILYZSKDGLUYBH-UHFFFAOYSA-N 393.465 1.799 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnc(O)c3ncccc23)c1 2325862856 LFGBMHXDRQMJOH-UHFFFAOYSA-N 394.391 1.585 0 50 GDAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(Br)cc1 1068629 MSLOVNAEYFJQCE-CYBMUJFWSA-N 391.287 1.510 0 50 GDAA CCc1c(O)nc(SCC(=O)N2CCOCC2)n(C2CCCCC2)c1=O 1407542 FQQPLSFAYYQVDI-UHFFFAOYSA-N 381.498 1.967 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN3CCCN(C)CC3)C2=O)c1OC 106719217 OSYGBXDMLFTJHB-NRFANRHFSA-N 391.512 1.195 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCn3ccc(C)n3)C2=O)c1 67934501 LDOILZXDGGSGGB-FQEVSTJZSA-N 390.459 1.483 0 50 GDAA COc1ccc(Cn2cc(C(=O)N(C)CCCCN3CCOCC3)nn2)cc1 20780294 IDPQDBMRTQTSHB-UHFFFAOYSA-N 387.484 1.519 0 50 GDAA Cc1ccc(C(=O)O[C@@](C(=O)O)(C(=O)c2ccc(C)cc2)[C@@H](O)C(=O)O)cc1 71621432 JQPIFDQVAKKOKQ-JXFKEZNVSA-N 386.356 1.612 0 50 GDAA CC(C)[C@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 409412988 HREGXFJGZUNPMJ-IRXDYDNUSA-N 386.452 1.154 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NC1CCOCC1 20598466 WIZSHLODENFKKQ-JXTAAOLFSA-N 387.480 1.194 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccncc3F)CC2)C1 71479550 CTSGDDKWIHZZEG-OAHLLOKOSA-N 392.475 1.300 0 50 GDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 328607121 UPAZHSAOEUSUDL-UHFFFAOYSA-N 384.454 1.017 0 50 GDAA C[C@H](c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1)N(C)Cc1ccccc1 328622968 BQRAFAZSUOTGIZ-HIFRSBDPSA-N 380.470 1.596 0 50 GDAA CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc1 364150927 PQHNAOVHRVXBMW-OXQOHEQNSA-N 389.452 1.580 0 50 GDAA O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N1C[C@@H]2C[C@H]1CN2 77287429 DAHXRNKMCFHNLO-WMZOPIPTSA-N 375.432 1.274 0 50 GDAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H](c2ccn[nH]2)C1 77487099 QUUBHFQHROQNAT-CYBMUJFWSA-N 388.449 1.351 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)Cc3ccon3)C2=O)c1 71315300 YWCPGULTEZTFKM-IBGZPJMESA-N 377.416 1.808 0 50 GDAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCN(C)CC2)C[C@@H](C)O1 71419355 ZTCMONDYVRXFFU-OKILXGFUSA-N 377.514 1.393 0 50 GDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cccc2c1OCCO2 219847293 LBWUQQMUEMUDJI-UHFFFAOYSA-N 375.425 1.104 0 50 GDAA O=S(=O)(c1ccccc1F)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72438155 WOCSITBLHFCABN-UHFFFAOYSA-N 391.472 1.727 0 50 GDAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(N[C@@H](C)C(C)(C)O)cc12 14535775 GXJRXZAERZAGCM-JTQLQIEISA-N 378.429 1.516 0 50 GDAA Cc1nn(C(C)C)c(C)c1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 221438592 AWJAICHPXWTKFC-LJQANCHMSA-N 388.516 1.805 0 50 GDAA Cc1cccc(-c2noc(CCCC(=O)N3CCN(c4nc[nH]n4)CC3)n2)c1 426536291 NSYXLOJGYIYYIJ-UHFFFAOYSA-N 381.440 1.835 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C)[nH]c(=O)c2)CC1 95517125 VNXZYQNBACZZKJ-LJQANCHMSA-N 391.512 1.663 0 50 GDAA CN1CC2(CCN(C(=O)NCC[C@@H]3COc4ccccc4O3)CC2)OCC1=O 426574741 NHCDDRUXZAQDKL-OAHLLOKOSA-N 389.452 1.249 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)Cc2cnccn2)C1)c1n[nH]c2ccccc12 95505787 WVXVNUKXWRRVTK-CQSZACIVSA-N 378.436 1.564 0 50 GDAA CCN1CC[C@]2(CCC1=O)CN(C(=O)CCc1cc(Cl)no1)CCN2C 95353691 NKEPUMSDCYXISE-GOSISDBHSA-N 382.892 1.806 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNC(=O)CCC(=O)Nc3ccccc3)cc2C1 426522921 OACPTOTYPUAHSD-UHFFFAOYSA-N 397.479 1.916 0 50 GDAA CCCN1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 23095775 GHLPLYVCQPSBHA-UHFFFAOYSA-N 396.513 1.298 0 50 GDAA COC(=O)C[C@@H]1Oc2ccccc2N(CC(=O)N(C)Cc2cc(C)no2)C1=O 95510057 XOAGCCBNHBSZJF-INIZCTEOSA-N 387.392 1.299 0 50 GDAA CC(C)[C@H]1C(=O)NCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 91931612 DTCVIGBMHOPKKJ-KRWDZBQOSA-N 387.392 1.579 0 50 GDAA O=C1[C@H]2CC[C@H](CN(c3nnnn3-c3ccccc3)C2)N1Cc1cscn1 95497191 WUBFOUWPEHZFEK-XJKSGUPXSA-N 381.465 1.746 0 50 GDAA CNc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)ccn1 95503394 YXGIMXUSTYODKO-KRWDZBQOSA-N 385.512 1.672 0 50 GDAA CCN(C)c1ccnc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95366685 FTANBJPZWRDCCJ-HNNXBMFYSA-N 381.488 1.690 0 50 GDAA O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCC(CCCN2CCOCC2)CC1 181462621 KAGUEKSOKGUGCW-GOSISDBHSA-N 375.517 1.801 0 50 GDAA COCCn1c(CN2CCC(c3ncncc3C)CC2)nnc1[C@H]1C[C@H](N)C1 244742196 ODLOSFMBAHTBDX-QAQDUYKDSA-N 385.516 1.607 0 50 GDAA CCCCN(C)C(=O)CN1C(=O)N[C@@H](c2ccc(OC)cc2)C2=C1COC2=O 263615405 CFRVHNNKKWACKZ-SFHVURJKSA-N 387.436 1.831 0 50 GDAA COc1cccc(-c2ncc(CNC(=O)[C@H]3CCCN(CC(N)=O)C3)s2)c1 824789985 UVZUIMNONUYJIP-AWEZNQCLSA-N 388.493 1.632 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 670440837 DLDZDIXGRRKTGT-KRWDZBQOSA-N 381.480 1.928 0 50 GDAA O=C(NOCCO)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1448032631 BEBCNKBBLCAJMI-UHFFFAOYSA-N 379.376 1.788 0 50 GDAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC(S(=O)(=O)NC2CC2)C1 1875311438 ZBKJTVSBIZOCQV-UHFFFAOYSA-N 378.376 1.143 0 50 GDAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2cccc(F)c2C(N)=O)c(F)c1 1875384251 NAYPAPUWSGZVHU-SECBINFHSA-N 382.388 1.910 0 50 GDAA CC1(C)CN(C(=O)c2cn(CCN)nn2)[C@H]1c1nccn1-c1cccc(F)c1 952895409 UUWRPZQXGOQVKY-INIZCTEOSA-N 383.431 1.785 0 50 GDAA Cc1cccc(C2(C(=O)N3C[C@H](C)[C@H](NC(=O)Cc4nonc4C)C3)CC2)c1 1875309326 HZRXLECKYAOJBU-KBXCAEBGSA-N 382.464 1.924 0 50 GDAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)N1 952964600 MQSMNSSRPGNXSG-GOSISDBHSA-N 380.448 1.788 0 50 GDAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088403 WLKOGKWFUSXDBF-YQQAZPJKSA-N 396.447 1.363 0 50 GDAA NCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)O)C(N)=O 958528115 VZFHFRRBOBFVOP-SFHVURJKSA-N 397.431 1.525 0 50 GDAA O=C(COc1ccc2nncn2n1)N1CCn2cccc2[C@H]1c1cccnc1 952868496 QHMLXNCKKWOADW-LJQANCHMSA-N 375.392 1.331 0 50 GDAA Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCc2sc(CN)nc2C1 883481184 ZZDUZYQTBKQKPN-UHFFFAOYSA-N 381.405 1.101 0 50 GDAA Cc1ccnc(N2CCC(N3C(=O)N[C@H]4CN(C(=O)C5CC5)CC[C@H]43)CC2)n1 888103647 RFDUAOMECQQUDN-DLBZAZTESA-N 384.484 1.159 0 50 GDAA Cc1nc(N(C)C)nc(N2CCO[C@](C)(CNC(=O)CC3CC(C)(C)C3)C2)n1 1775991814 NHYZRSHJSLZSSD-HXUWFJFHSA-N 390.532 1.784 0 50 GDAA O=C(O)[C@H]1CN(C(=O)CN2CCOc3ccccc3C2)C[C@@H]1c1ccncc1 1565515731 RAOSVCDLYPTQHY-MSOLQXFVSA-N 381.432 1.603 0 50 GDAA CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CCCC3=O)C2)c1 170611529 UOKVWHMASKBIKV-AWEZNQCLSA-N 379.482 1.130 0 50 GDAA O=C(c1cncc(N2CCCN(Cc3cccs3)CC2)n1)N1CCOCC1 1506416625 HQMOCKOGIZIGBB-UHFFFAOYSA-N 387.509 1.723 0 50 GDAA CN(CC(=O)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1)Cc1ccccc1F 219288880 GHKJQCNPCWGTLN-ROUUACIJSA-N 377.504 1.810 0 50 GDAA O=C(c1onc2ncccc12)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 1775982036 GQBRBWDGFIEOAV-WCQYABFASA-N 383.433 1.943 0 50 GDAA O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1C[C@@H](CO)C[C@@H](CO)C1 1772803907 AJGUYNIMGQQYRF-IJEWVQPXSA-N 387.505 1.759 0 50 GDAA COc1cccc2c1OCCCN(C(=O)Cn1nnnc1CN1CCCC1)C2 12020682 TWCBLJJCKRADGJ-UHFFFAOYSA-N 386.456 1.089 0 50 GDAA CN(CCc1ccccc1)C1(C(=O)N2CCNC(=O)C2)Cc2ccccc2C1 14963388 NHQNUWYYKOQDEA-UHFFFAOYSA-N 377.488 1.657 0 50 GDAA O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCOCC1)c1ccccc1 19791167 PHULQHSCTJMMJL-GOSISDBHSA-N 376.478 1.575 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCCn3nc(C)cc3C)CC2=O)s1 1857701160 QYQBYABGQUDRNU-CYBMUJFWSA-N 376.486 1.473 0 50 GDAA CCc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC(=O)NC)C[C@]34CC[C@H]2O4)s1 1857718161 BCKJZNBHYOZXSE-NRTGNBEESA-N 377.510 1.266 0 50 GDAA Cc1c(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cnc2ccnn12 1857733970 IAGMRIATEZGRJD-SHJAMOMRSA-N 378.432 1.247 0 50 GDAA Cc1occc1C(=O)NC[C@H]1[C@H]2CN(C(=O)COC(C)C)C[C@]23CC[C@H]1O3 1857736136 MIEXUQUCLCBORZ-TVKQPGBESA-N 376.453 1.749 0 50 GDAA Cc1nc(=N)[nH]cc1C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857737816 FAEOBWQAQWIHDF-YRNRMSPPSA-N 379.420 1.112 0 50 GDAA CCc1c(C)cc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c(=O)n1C 210434417 CSHKYGSGPOUJQC-QAPCUYQASA-N 398.459 1.975 0 50 GDAA Cc1nc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)sc1Br 333513745 UVHFPGTXKPQAEN-VIFPVBQESA-N 392.304 1.831 0 50 GDAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c1 247954832 NPTHXVVLPYKUND-PBHICJAKSA-N 379.482 1.232 0 50 GDAA Cn1cc(Oc2ccccc2C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cn1 367209161 ZTSBIXMYLBZSOK-CYBMUJFWSA-N 395.423 1.380 0 50 GDAA Cc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C 708431 GENUIEKSJDYMBD-UHFFFAOYSA-N 387.465 1.318 0 50 GDAA biogenic COc1ccc(C)nc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c[nH]2)C[C@H](O)C1 2325878547 UGDDOCUYDAEOGC-HUUCEWRRSA-N 386.452 1.431 0 50 GDAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)NCCC4CCCC4)cc3C2=O)C(=O)N1 2325898259 YPGNPQVVDJAJKS-MRXNPFEDSA-N 397.431 1.398 0 50 GDAA CN1CCC(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 11664710 DWWMPORLOPAEAG-KRWDZBQOSA-N 384.546 1.239 0 50 GDAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2 12446272 OZJJVMKQXRVQMM-HXUWFJFHSA-N 390.434 1.820 0 50 GDAA C[C@H]1C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]2C(=O)N1C 14746756 ZWJBVOGWNGZZPL-BLLLJJGKSA-N 388.468 1.823 0 50 GDAA O=C(Cn1c(=O)cnc2ccccc21)N1CCC(OCc2ccccn2)CC1 19742344 OSPRUHDDJRKJDM-UHFFFAOYSA-N 378.432 1.999 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1Cl 20051536 XLTWYXQQALNPIA-KRWDZBQOSA-N 392.887 1.759 0 50 GDAA Cn1ncc2c(=O)n(CC(=O)Nc3c(F)cc(F)cc3Br)cnc21 20607111 WAQAJHRFHOEYRO-UHFFFAOYSA-N 398.167 1.809 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)c1 33318371 UECLHDPIDONTDY-UHFFFAOYSA-N 389.525 1.979 0 50 GDAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)n1 55343551 NDFMELXLNFCHSX-GOSISDBHSA-N 399.470 1.282 0 50 GDAA CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 65362921 YRQWAXHFNQUUJI-LBPRGKRZSA-N 398.510 1.818 0 50 GDAA O=C1OCC2(CCN(C[C@@]3(O)CCCN(Cc4ccc(F)cc4)C3=O)CC2)O1 67490834 QSIOEYXVWVLOPT-FQEVSTJZSA-N 392.427 1.681 0 50 GDAA CCN(CC)Cc1cnc2c(C(=O)N3CCN(c4cccnc4)CC3)cnn2c1 67821000 KUWFLPBWFMPYPS-UHFFFAOYSA-N 393.495 1.929 0 50 GDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)Cc3n[nH]c(=O)[nH]3)CC2)c1 67975782 LVMJWJBJLLQKMJ-UHFFFAOYSA-N 382.424 1.445 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 71754670 HYCZNHNJGXFGME-KRWDZBQOSA-N 388.512 1.370 0 50 GDAA C[C@@H](C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1)n1cccn1 72150635 FZZAPHSSVGPBCZ-AWEZNQCLSA-N 377.452 1.947 0 50 GDAA CCN1CCN(CCCN2CC3(CCN(CC(C)(C)N)CC3)OC2=O)CC1 72407107 NNXUJDNRMYUIBW-UHFFFAOYSA-N 381.565 1.038 0 50 GDAA COc1cccc(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)c1 72447761 JHMQTQYHCCKTDV-AWEZNQCLSA-N 376.482 1.968 0 50 GDAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72478597 QWWLDRCJBKQMTQ-XGHQBKJUSA-N 383.448 1.285 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 91440189 AJOMJONPTOTNJE-FQEVSTJZSA-N 386.415 1.689 0 50 GDAA COc1cc2c(cc1-c1cn(C[C@H]3CN(S(C)(=O)=O)CCO3)nn1)CCC2 91486814 PMWODTMANTUNIL-HNNXBMFYSA-N 392.481 1.103 0 50 GDAA O=C(c1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC[C@@]2(CCOC2)C1 91707309 AZYNFAZJFFYAKA-LJQANCHMSA-N 378.494 1.564 0 50 GDAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 91770724 XVYCXEWHKKYUME-UHFFFAOYSA-N 375.473 1.338 0 50 GDAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1 95378040 PURDYIZYZVVQIY-NSHDSACASA-N 385.449 1.454 0 50 GDAA CN(C)CCNC(=O)c1ccc(OC2CCN(CC(=O)O)CC2)c(Cl)c1 95523082 VUVRTYUFCODGRK-UHFFFAOYSA-N 383.876 1.559 0 50 GDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)CC2 96148727 IBRPSWLIUBESHH-OAHLLOKOSA-N 392.525 1.444 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccno2)CN1C(=O)C1CCCC1 96151464 BSXOBCMTVSTZCT-CABCVRRESA-N 376.457 1.433 0 50 GDAA C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2ccnc2)c1 97402464 ZKCDJFLJUNPKFB-OAHLLOKOSA-N 376.482 1.828 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 126104980 LPGWQZAXHRLCHD-FUHWJXTLSA-N 398.446 1.435 0 50 GDAA CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 170601763 AYJMXCTUZCLWER-UHFFFAOYSA-N 392.481 1.949 0 50 GDAA Cc1nc2n(n1)C[C@H](NC(=O)NC1CCN(CCc3ccccc3)CC1)CC2 171036180 OASPVAVFIHOGAZ-LJQANCHMSA-N 382.512 1.908 0 50 GDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CN1CCCCCC1=O 220187215 ARXFCJFCZVASIB-IAGOWNOFSA-N 379.457 1.484 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(-n2cncn2)c1 222016381 PMFXDPLFYAEGPZ-TZIWHRDSSA-N 391.475 1.880 0 50 GDAA CCO[C@@H](C)c1noc(CN2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 229838902 LSSWGVPJSYZWCU-MAUKXSAKSA-N 387.484 1.901 0 50 GDAA O=C(O)CNc1ncc(CN2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cn1 244626774 FSNDGKSCFJQNQB-PXNSSMCTSA-N 388.468 1.691 0 50 GDAA Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c(=O)n(C)c1C 244882737 XXQCXLQJNOIMBB-SHTZXODSSA-N 395.467 1.051 0 50 GDAA Cc1ccc(F)cc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O 245237705 RZFIJYWCILAWAX-LZWOXQAQSA-N 383.445 1.480 0 50 GDAA COc1cccc(OCCN2CCN(C(=O)[C@@H]3CC[C@H](C(=O)O)C3)CC2)c1 248137569 OTCGDJSWVSWZNY-CVEARBPZSA-N 376.453 1.719 0 50 GDAA CC(C)(C)OC(=O)N1CCC(COc2cccc(C(=O)NCC(N)=O)c2)CC1 252501081 UCGFQIWVWMLKJR-UHFFFAOYSA-N 391.468 1.928 0 50 GDAA O=C(Cn1ccc(O)nc1=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 253535348 MHBWZUFTOHTAKB-FRIZHTMISA-N 380.404 1.126 0 50 GDAA CCN(CCn1c(O)nc(C)cc1=O)CCS(=O)(=O)c1ccc(C)cc1 253536146 JJSWQMRIBYZKJV-UHFFFAOYSA-N 379.482 1.362 0 50 GDAA Cc1cc(C)cc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccnc2)C(=O)O)c1 263103721 RGBXTLDWKTZPJV-QGZVFWFLSA-N 391.449 1.261 0 50 GDAA Cn1c(=O)c2nc(CN3CCn4c(cc5c(Cl)cccc54)C3)[nH]c2n(C)c1=O 278257583 HYDYAGPYMNOFMX-UHFFFAOYSA-N 398.854 1.584 0 50 GDAA C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](CN)C1 299738426 AROSRLXDOFGTOW-NWDGAFQWSA-N 389.315 1.666 0 50 GDAA O=c1cc(N2CCC2)cnn1[C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1 328605218 MNGKJIRGHMTGBU-AWEZNQCLSA-N 382.424 1.934 0 50 GDAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2c(C)nn(C)c2Cl)cn1 328626140 LJZGNVIKTLABJY-QWHCGFSZSA-N 387.893 1.797 0 50 GDAA Cn1nccc1N1CCC[C@@H](NC(=O)N2CCC3(C2)Oc2ccccc2O3)C1 365793028 HHHJLFQURBUCQO-OAHLLOKOSA-N 383.452 1.972 0 50 GDAA COc1ccsc1S(=O)(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 416504528 VRRSBKUMTVUYQL-JTQLQIEISA-N 387.508 1.748 0 50 GDAA O=C(CCc1cc2n(n1)CCN(C(=O)c1onc3c1CCCC3)C2)NC1CC1 426544990 JESPKGIHYXXOTJ-UHFFFAOYSA-N 383.452 1.617 0 50 GDAA Cc1nc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n(C)c1C 426658243 NUDOYOZWVLCHER-KRWDZBQOSA-N 387.532 1.377 0 50 GDAA COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cn3ccnc3s2)c1 442877009 QLOGWSBFXFQVDR-UHFFFAOYSA-N 394.434 1.099 0 50 GDAA O=C(O)C1CCN(S(=O)(=O)NC2CCN(Cc3cccs3)CC2)CC1 670474126 KPYUVWFVAHMVIX-UHFFFAOYSA-N 387.527 1.344 0 50 GDAA COc1cc(NC(=O)C(C)C)c(C(=O)O[C@@H]2CCC(=O)NC2=O)cc1OC 798563505 ATSRKGVDLFFJLD-GFCCVEGCSA-N 378.381 1.260 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)[C@@H](C)c2ccccc2)cc1 861402136 OKSQIEPLSIHNPP-AWEZNQCLSA-N 390.461 1.958 0 50 GDAA Cn1c(C(=O)NCc2cc(COc3ccccc3)cs2)cc(=O)n(C)c1=O 952874196 YLITWDBGIKCDEZ-UHFFFAOYSA-N 385.445 1.655 0 50 GDAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)NC[C@@H]1CCS(=O)(=O)C1 952968641 FHWVDLGPKYRKEJ-NSHDSACASA-N 384.889 1.883 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2CN(C)C)cc1 1506395515 JDQWQIVFNJRNHT-UHFFFAOYSA-N 375.494 1.929 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 1506409310 GNMLGBAHFVIGCE-MRXNPFEDSA-N 389.477 1.859 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@@H](O)C2)cs1 1565506197 SWGGIYYZFXHKQT-HOTGVXAUSA-N 375.498 1.419 0 50 GDAA Cc1ccc(C)c(CN2CCN(C(=O)C3CCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 1565516354 ZPHGONNQDYSTOW-MOPGFXCFSA-N 376.522 1.913 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cccc2ccccc12 1704299582 RIYUEVJUTWYWFW-FUHWJXTLSA-N 376.478 1.405 0 50 GDAA O=C(c1ccsc1)N1C[C@H]2COC[C@@H]1CN(Cc1cnn3cccnc13)C2 1704315348 AHOJBMCKWRXICV-YOEHRIQHSA-N 383.477 1.764 0 50 GDAA Cc1ccc2cc(CN3CC[C@@]4(CNC(=O)CO4)C3)c(N3CCOCC3)nc2c1 1772805849 QTWMNPGCDHJFDM-JOCHJYFZSA-N 396.491 1.471 0 50 GDAA COc1cc(C)ccc1C(=O)N1CC[C@@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 1775991721 MLSOGWZQCWJAER-JXFKEZNVSA-N 388.468 1.315 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1857681037 VPGOCVQMWPLSNG-NWDGAFQWSA-N 393.469 1.133 0 50 GDAA Cn1ncc2c(N)nc(N3CCC[C@]4(CCc5c(O)nc(C6CC6)nc54)C3)nc21 1857696914 QKLFFFDHCSKIGI-FQEVSTJZSA-N 392.467 1.803 0 50 GDAA O=C1CCc2cc(S(=O)(=O)N3CCc4[nH]nc(C5CC5)c4CC3)ccc2N1 1857701819 QIBFLKJIHRCRRD-UHFFFAOYSA-N 386.477 1.961 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1CC(=O)N(c3nnc(C(C)C)s3)C1)C2 1857718939 AXADGLCYTOGYPP-JTQLQIEISA-N 388.453 1.361 0 50 GDAA CN=c1[nH]c(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)ncc1F 1857729149 KSQJZPMMNCTCLB-QULAYQROSA-N 387.415 1.086 0 50 GDAA CC(C)N(C)Cc1ccc(O[C@H]2CCN(C(=O)c3cn4cnnc4cn3)C2)nc1 1875295046 COEWNLOETZEPOB-INIZCTEOSA-N 395.467 1.653 0 50 GDAA CCOC(=O)[C@@]1(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)CCCOC1 1875311932 DPGRNQMLYKDBQQ-XJKSGUPXSA-N 375.343 1.967 0 50 GDAA C[C@@H]1COCC[C@@H]1Nc1ncncc1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 1875356218 LAJSZPSPLSBRES-PBHICJAKSA-N 399.499 1.451 0 50 GDAA CCN1C(=O)CC[C@H](C(=O)N[C@H](CC(=O)O)c2ccncc2)[C@H]1c1cnn(C)c1 1875356285 NRGBKIHTEPNBJV-FRQCXROJSA-N 399.451 1.447 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 1875371358 YBQMNJUNEAPIGH-HNNXBMFYSA-N 391.493 1.367 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNc2nccc(-n3ccnc3)n2)N1Cc1ccccc1 1875392526 GXDQYHSPGJIZHS-UTKZUKDTSA-N 394.479 1.726 0 50 GDAA Cc1cnc(CCCC(=O)N2CC3(CN(C)C[C@@H]3c3ccnc(N(C)C)n3)C2)o1 1875395600 GHGXPIAOFCAMCQ-MRXNPFEDSA-N 398.511 1.720 0 50 GDAA Cc1nn2cccnc2c1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 2325808396 XBMJUAHPPITQFU-UHFFFAOYSA-N 391.357 1.809 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)N3C[C@H]4COC[C@@]4(CO)C3)CC2)c1 2356151956 IUROUERTYTVGTR-UWJYYQICSA-N 388.464 1.015 0 50 GDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)cn12 2356164243 LBLRSUVRJUMDQW-LJQANCHMSA-N 380.408 1.449 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 900017 DHLLDDVUECELCC-UHFFFAOYSA-N 388.449 1.187 0 50 GDAA CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 2520841 CNTFGOXBQYTEJE-UHFFFAOYSA-N 378.230 1.300 0 50 GDAA CS(=O)(=O)c1cccc(C(=O)N2CCc3nc(-c4cccnc4)nn3CC2)c1 2356164685 CPGMFKNTTFLMFU-UHFFFAOYSA-N 397.460 1.442 0 50 GDAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC[C@H]1CCCO1 2869044 ZHLUNAOPMILKMJ-OAHLLOKOSA-N 384.498 1.603 0 50 GDAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCC(C(N)=O)CC1 8671520 QWLYXTJECRHWNP-UHFFFAOYSA-N 381.454 1.385 0 50 GDAA COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)s1 9342288 GBGPCMRAWKJCIF-LLVKDONJSA-N 376.438 1.993 0 50 GDAA CCn1c(C2CCN(C(=O)CCn3nnc4ccccc43)CC2)nn(C)c1=O 67855235 BEHGXRQYVWBFCJ-UHFFFAOYSA-N 383.456 1.143 0 50 GDAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(Cc2ccccc2)CC1 61718637 VTQFELRTJOSKDX-UHFFFAOYSA-N 378.432 1.848 0 50 GDAA COc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC(F)F 2806969 XUEWGMMGKZJHLP-JTQLQIEISA-N 378.397 1.907 0 50 GDAA CN1CCN(C(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)CC1 33089004 LMSLGVVAPUHNLR-UHFFFAOYSA-N 376.254 1.708 0 50 GDAA COc1ccc(-c2nc(CN3CCN(S(N)(=O)=O)CC3)c(C)o2)c(F)c1 71775000 XDVZNCJHRKGPKF-UHFFFAOYSA-N 384.433 1.119 0 50 GDAA COCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328604421 JQYAYPCSXWQHKH-RHSMWYFYSA-N 378.454 1.461 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C(C)C)no3)C2)cn1 328612994 QOEVQUGJVMSNFH-MRXNPFEDSA-N 382.442 1.269 0 50 GDAA CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)C2)n1 328612340 OLHYHUQMYKEZHI-HNNXBMFYSA-N 397.844 1.215 0 50 GDAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1=O 328612482 OUBBNHREAVAHLR-KRWDZBQOSA-N 388.493 1.773 0 50 GDAA CCCCN1CCN([C@H](C(=O)N2CCCNCC2)c2ccccc2)C(=O)C1=O 77458679 QVTHRYJIVLHGNE-SFHVURJKSA-N 386.496 1.021 0 50 GDAA NC(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71575464 BLSKCHBZUAJFLU-LJQANCHMSA-N 386.540 1.397 0 50 GDAA CN1C[C@@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OC1=O 72153029 PFKQANXFXWOHPV-FQEVSTJZSA-N 384.436 1.689 0 50 GDAA O=C(O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(C(=O)c2ccc(=O)[nH]c2)C1 72162047 ODPQDSHSBITALB-OLZOCXBDSA-N 387.367 1.316 0 50 GDAA CCc1noc(CNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n1 71760732 SYEBAYHADPFLFE-ZDUSSCGKSA-N 387.440 1.238 0 50 GDAA Cc1cc2n(n1)CCN(Cc1cc3n(n1)CCCN(Cc1cccnc1N)C3)C2 72454257 JGHWBHKKKSCJOM-UHFFFAOYSA-N 392.511 1.787 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)Cc1csc(-c2cccs2)n1 72420422 IQUPAECNXQDKCH-UHFFFAOYSA-N 376.463 1.758 0 50 GDAA O=C(O)[C@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 263049094 WTCSTLIYPVUECO-CQSZACIVSA-N 376.390 1.393 0 50 GDAA CN(C)C1CCN(CCNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 177116336 RBYDSSDMGKEPNC-IBGZPJMESA-N 386.540 1.681 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnc3cnccn23)cc1 426517583 MFVZWMNFJXZLKY-SFHVURJKSA-N 392.463 1.045 0 50 GDAA CCn1cncc1CN1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 426369378 RBYXHHVCNPYSBF-MRXNPFEDSA-N 387.532 1.368 0 50 GDAA O=C(CN1CCN(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC1)N1CCCC1 426528160 YTINHTIHNLQMFN-UHFFFAOYSA-N 388.447 1.152 0 50 GDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 95384783 QILYFLCLTWEUDM-DZGCQCFKSA-N 381.423 1.913 0 50 GDAA CC1CCN(Cc2nnnn2CCCC(=O)NCc2n[nH]c3c2CCC3)CC1 95524100 HLWYENNERGYSSI-UHFFFAOYSA-N 386.504 1.213 0 50 GDAA O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1Cc1ccccc1 230278318 IPXLKMFBHIKCOU-CEXWTWQISA-N 391.471 1.843 0 50 GDAA biogenic Cn1cncc1CN1CCC2(CC1)CCN(Cc1cscn1)C[C@H]2CO 97819445 DFMLSAXMKAMWSK-INIZCTEOSA-N 375.542 1.973 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)c3cccc(-n4cnnc4)n3)cc2C1 97529065 NCXBEZHEBZSRLM-UHFFFAOYSA-N 380.456 1.260 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCCc2ccccn2)c1)N1CCOCC1 95377172 NWTCGZCJADGRQO-UHFFFAOYSA-N 389.477 1.465 0 50 GDAA COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@@]23C(=O)Nc2ccccc23)cc1 253382963 JXRAZCDBRRPSJV-VLTYUJECSA-N 381.432 1.840 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)CSc1nccc(C)n1)CC2 534639302 ZTKIQMUFBFKRLM-RVKKMQEKSA-N 378.498 1.552 0 50 GDAA COCC[C@H]1CN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO1 299797214 PGGFNJYMUZEXHL-JTQLQIEISA-N 377.850 1.257 0 50 GDAA Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCCC2)CC1 584885615 DOALBYIDAQCUGM-UHFFFAOYSA-N 380.514 1.252 0 50 GDAA COc1c(S(=O)(=O)NCCN2CCC[C@H](CO)C2)ccc(Cl)c1Cl 670460673 YWPSKCQBCNWGHL-NSHDSACASA-N 397.324 1.985 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2ccc(Cn3cccn3)cc2)N(c2ccncn2)C1 864336864 VLKTWWNRBSGMFT-OALUTQOASA-N 392.463 1.745 0 50 GDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cccc(N2CCCNC2=O)c1 1875402926 OMYBPFXMNIZYQP-BMGDILEWSA-N 383.452 1.372 0 50 GDAA COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H](C(F)(F)F)O1 1875319621 KQEBNKIOCYZVCX-VXGBXAGGSA-N 375.347 1.624 0 50 GDAA COc1c(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)CCc3ccccn3)C2)c(C)nn1C 1875327947 QQOJATIBVNUQKI-GDBMZVCRSA-N 399.495 1.732 0 50 GDAA CN1C[C@@H](C(=O)N2CC3(CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)C2)CC1=O 1875360772 LLJXUSMZPUTTKD-INIZCTEOSA-N 395.463 1.106 0 50 GDAA Cc1cc2ccc(C(=O)NC[C@H]3CN(C(=O)Cn4cnnn4)CC[C@H]3C)cn2c1 1875310146 GDPQWNPGVQJITM-WBVHZDCISA-N 395.467 1.149 0 50 GDAA CNC(=O)CN(CC[C@@H](OC)C(F)(F)F)C(=O)Cc1ccc2nn[nH]c2c1 1875379562 WGWSOACMVZNQRC-CYBMUJFWSA-N 387.362 1.042 0 50 GDAA CN1CC[C@H](c2nc(C[C@@H]3CC4(CC4)CO3)n(-c3nc4ccccn4n3)n2)C1 1875341555 XPLYYTKMQJOYRL-LSDHHAIUSA-N 379.468 1.841 0 50 GDAA N[C@@H]1COC[C@H]1[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1 1875292564 MFLZVKBRVCBRQO-GUDVDZBRSA-N 380.448 1.661 0 50 GDAA O=C(Cn1cccn1)NC[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 952984601 PJEQOKDFPZJOOA-QGZVFWFLSA-N 390.509 1.185 0 50 GDAA CCn1cc(S(=O)(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](NC(C)=O)C2)cn1 1565516449 QOIZRMOXFMTXER-MSOLQXFVSA-N 376.482 1.504 0 50 GDAA CCc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 189124897 UCZASDYTCSGQLV-UHFFFAOYSA-N 377.466 1.447 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N3CCO[C@@H](c4cnn(CC)c4)C3)cc12 189224541 QKLOEVBUIBHBDW-MRXNPFEDSA-N 391.453 1.764 0 50 GDAA CNc1ncnc2c1cnn2CC(=O)NCc1cccc(N2CCCC2=O)c1 194415059 HNBNKKRRVRJPIC-UHFFFAOYSA-N 379.424 1.311 0 50 GDAA Cn1cnnc1C1CCN(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)CC1 1506415273 VUDADKJAKQYROT-LBPRGKRZSA-N 377.474 1.336 0 50 GDAA CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC)C1=O 1147469 OCIJIWQKPBNODC-MDWZMJQESA-N 379.390 1.838 0 50 GDAA Cc1cc(C[C@H]2CN(C(=O)C3(N4CCOCC4)CCCCC3)C[C@@H]2O)on1 1615937534 VATJVUYUILXYKF-WMZOPIPTSA-N 377.485 1.380 0 50 GDAA COc1ccc(CN2C[C@@H]3CN(C(=O)c4cccn4C4CC4)C[C@]3(CO)C2)cn1 1772806646 ZQWYPJLJVCKZTP-VGSWGCGISA-N 396.491 1.793 0 50 GDAA COc1ccccc1OCCCN1CCCN(C(=O)CN2CCOC2=O)CC1 1772708575 DOLNVZPTYGUCDB-UHFFFAOYSA-N 391.468 1.451 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)n1 12515946 OXRBYPHWKRYESX-DHZHZOJOSA-N 390.447 1.950 0 50 GDAA O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1CCc1ccccc1 18122668 AHWMHUBGTALUMC-LJQANCHMSA-N 379.460 1.884 0 50 GDAA COc1ccc(CNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)cc1OC 169778257 PRTHVKPOXSMWOR-UHFFFAOYSA-N 396.447 1.786 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)N(C)CCn2cnc3ccccc32)CC1 1857673865 LYMCGTASGONQBZ-UHFFFAOYSA-N 394.497 1.488 0 50 GDAA CCCN1CCC2(CC1)OCCc1sc(C(=O)N[C@H]3CC(=O)N(C)C3)cc12 1857684978 MCZWZCXJXUAAFE-AWEZNQCLSA-N 391.537 1.982 0 50 GDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]12 1857710816 REXFAJRTEYURKO-JYJNAYRXSA-N 380.514 1.257 0 50 GDAA Cn1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC2)cc1=O 1857723488 IILCPEFWYBCFBR-OAHLLOKOSA-N 386.477 1.601 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)N3CCC(C(F)(F)F)CC3)CC2=O)s1 1857726099 WNRDJSCTWKDYQC-VIFPVBQESA-N 392.403 1.838 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1nc3ccccc3[nH]1)C2 247506248 GZXOJRXCIVVBQF-KGLIPLIRSA-N 376.482 1.378 0 50 GDAA NC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nc1 374491324 ZEVMIUQDHMTYFO-GFCCVEGCSA-N 380.326 1.888 0 50 GDAA O=C(O)c1cnn(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 911720740 ODGSOIJBIHUJPB-RISCZKNCSA-N 383.326 1.935 0 50 GDAA CCOC(=O)Cn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 1061888 NBLGTGDCTDWLDG-UHFFFAOYSA-N 375.812 1.922 0 50 GDAA NC(=O)[C@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3C(F)(F)F)[C@@H]2C1 2100483895 ZDDPOPRWZKWOSY-HBNTYKKESA-N 393.387 1.144 0 50 GDAA O=C(CN1CCC(Nc2ncnc3c2NC(=O)CO3)CC1)Nc1ccccc1 2325839838 GTZBVAIKHKIJOW-UHFFFAOYSA-N 382.424 1.323 0 50 GDAA O=S(=O)(CCN1CCC(O)CC1)c1ccc(-c2cnn3cccnc23)cc1 854192162 ASZNHJFGUBPCSP-UHFFFAOYSA-N 386.477 1.627 0 50 GDAA O=C(O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c1 4135802 FRJKJLXNOOVERF-GOSISDBHSA-N 395.415 1.965 0 50 GDAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCN4CCOCC4)c(=O)n1c23 4716275 BLRPGXZVXXHBBR-LBPRGKRZSA-N 389.427 1.415 0 50 GDAA NC(=O)c1ccccc1NCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 225472133 ZZLFCVSJGZIIOQ-UHFFFAOYSA-N 398.438 1.758 0 50 GDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101280523 ACMZMELXZACUAL-TUEPYVCHSA-N 385.416 1.841 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1cccnc1 55245288 KEMCUIXBRJYPPW-QGZVFWFLSA-N 390.846 1.881 0 50 GDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 100099741 DUBDPIHYPRMMEX-IYBDPMFKSA-N 385.439 1.816 0 50 GDAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCOc2ccccc2C1 55568942 MDHDCPPHDPASME-SFHVURJKSA-N 380.448 1.193 0 50 GDAA CO[C@H](C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1)c1ccccc1 67974390 QXXXCTWRLJUYPJ-FQEVSTJZSA-N 399.495 1.934 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCC(C)CC4)cc3)nn2)CN1 67586999 NDDBCGJJQAFMIK-MOPGFXCFSA-N 382.512 1.826 0 50 GDAA Cc1c(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)cnn1-c1ccc(O)nn1 478828398 WQULMKCRTTYTLW-UHFFFAOYSA-N 397.391 1.412 0 50 GDAA Cn1nc([C@@H]2CCCN(C(=O)C(=O)c3ccco3)C2)n(-c2ccccc2)c1=O 67886337 LFSBLNJLLFTFDM-CQSZACIVSA-N 380.404 1.753 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCN(C(C)C)CC3)C2=O)c1 67852262 CHRJSMPYJMIJTO-OAQYLSRUSA-N 393.503 1.714 0 50 GDAA COC(=O)Cc1nc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)n[nH]1 328594206 YVKCVZYRYIBRPV-UHFFFAOYSA-N 396.425 1.195 0 50 GDAA O=C(Cn1ccc2ccc(F)cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 61721562 VPMQWICNBYCNQO-MRXNPFEDSA-N 379.457 1.112 0 50 GDAA O=C(NCC1CCNCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71758761 WOECXNKMSIPNBM-NRFANRHFSA-N 399.583 1.874 0 50 GDAA C[C@@H]1CN(C(=O)C[C@@H]2CCCC(O)=N2)CCN1C(=O)C[C@H]1CCCC(O)=N1 329691252 WGKISMXQNLBKIG-QLFBSQMISA-N 378.473 1.844 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1)N1CCCC1 71762237 DXDXIGPTOOILPG-OAHLLOKOSA-N 383.500 1.656 0 50 GDAA CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363175590 XGPJUSPQAUUZNT-ROUUACIJSA-N 385.468 1.883 0 50 GDAA O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN3CCOC[C@H]3C2)CC1 363819759 MGFDAFFMXQMCBQ-MRXNPFEDSA-N 393.434 1.360 0 50 GDAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)CCCS(N)(=O)=O)C2)cc1C 72119552 DOKBNZUFUIPXSP-OAHLLOKOSA-N 396.509 1.802 0 50 GDAA O=C(Nc1cnc(N2CCNCC2)nc1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 333306914 LCKFPCXOFSEEGW-XYJFISCASA-N 385.516 1.224 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 33318369 ARQPOXTYJLKZOG-UHFFFAOYSA-N 375.498 1.670 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 262333097 YODKIELUOZUIEE-JLJPHGGASA-N 390.461 1.430 0 50 GDAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)no1 77298198 YBINKRWBMMTXJH-MRXNPFEDSA-N 391.449 1.848 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H]1CCC(=O)NC1)C(=O)N(C1CCCC1)C2 71422202 UQWIVXKBGNGYGQ-GFCCVEGCSA-N 386.452 1.131 0 50 GDAA CN(C)C(=O)Cc1ccc(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)cc1 426658155 BCGBARDYMFTDPD-IBGZPJMESA-N 379.460 1.993 0 50 GDAA O=C(CNS(=O)(=O)c1cccnc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 291490787 GMUPMLBEYIBCKW-CYBMUJFWSA-N 391.415 1.941 0 50 GDAA O=C(c1ccccc1-n1cnnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 426386899 MSXHNGWWPIHUMP-UHFFFAOYSA-N 391.431 1.954 0 50 GDAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)n1 426635364 LETOALFRPQMKRE-SFHVURJKSA-N 382.464 1.732 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 19635644 FULSSJSGRXQCCG-KRWDZBQOSA-N 391.422 1.080 0 50 GDAA Cc1cc(C)n2nc(CC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)nc2n1 426667386 DEUBZDKTAUEMDC-QGZVFWFLSA-N 380.452 1.886 0 50 GDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)CSCC1CC1)C2 223050129 NQBQHFSAAKQPSX-GOSISDBHSA-N 375.498 1.574 0 50 GDAA COc1ccccc1CCN1C(=O)N[C@H](CC(=O)NCc2ccccn2)C1=O 223237312 LSRVXEMCJYTWPI-MRXNPFEDSA-N 382.420 1.260 0 50 GDAA O=C(NCCCn1ncc2ccccc21)N1CCN(c2ncc[nH]c2=O)CC1 426544446 QRDMLNUJJYCTRP-UHFFFAOYSA-N 381.440 1.042 0 50 GDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 20920209 KBVNDJRMDHIHBV-MRXNPFEDSA-N 399.495 1.932 0 50 GDAA COc1ccc(CCNC(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1 426649547 HVQKFTTWOPJCKH-UHFFFAOYSA-N 395.467 1.516 0 50 GDAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95363424 ATKVHCJGQJUEJA-CYBMUJFWSA-N 383.456 1.512 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(C(=O)CCc1cc(Cl)no1)CCN2C 95353690 NKEPUMSDCYXISE-SFHVURJKSA-N 382.892 1.806 0 50 GDAA COCc1noc([C@@H](C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 182164715 UQGMTSUSXYODNF-MRXNPFEDSA-N 399.495 1.874 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CNC3)c1)N1CCSCC1 95357832 HGWUCGWGSDZEOH-GASCZTMLSA-N 381.523 1.001 0 50 GDAA Cn1cc(SCC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c2ccccc21 244718947 LUADXHDVRKJWQM-JOCQHMNTSA-N 385.493 1.954 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 824595820 COXCXYJBMBDMNZ-HNNXBMFYSA-N 392.419 1.626 0 50 GDAA Cn1nc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)ccc1=O 144862482 BVUJMFFRMZRNAT-UHFFFAOYSA-N 375.473 1.056 0 50 GDAA C[C@H]1CN(C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)C[C@H](CC(F)(F)F)O1 1875268186 GQEYJXYMJGYBML-QWRGUYRKSA-N 385.342 1.258 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cc(F)n(C)n1 1875284494 XDVCCOJPOMFCCP-UHFFFAOYSA-N 391.808 1.357 0 50 GDAA CCc1cc(CN2C(=O)CCN(CCc3cn4c(n3)SCC4)C2=O)on1 1875293539 UKCSXTGGBNFIOJ-UHFFFAOYSA-N 375.454 1.936 0 50 GDAA Cc1nc(C(=O)N(C)CCc2cnccn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300151 NNBXTZBNKZYBFU-QGZVFWFLSA-N 383.500 1.338 0 50 GDAA CS(=O)(=O)NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 1875390283 VRSVQCRYWOGHIQ-UHFFFAOYSA-N 381.410 1.340 0 50 GDAA COC(=O)c1cnc(N(C)C[C@H]2CCN(C(=O)c3ccc(C)c(C)n3)C2)nc1 1875302304 JYOHWZDEUOQJDI-OAHLLOKOSA-N 383.452 1.874 0 50 GDAA C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350400 LLHHOSGKCHXLSZ-NEPJUHHUSA-N 382.424 1.253 0 50 GDAA O=S(=O)(Cc1noc([C@@H]2CCc3nnn(C4CCC4)c3C2)n1)NC1CC1 952894256 MPEDNMWFAFJXKO-SNVBAGLBSA-N 378.458 1.240 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](CNC(=O)c2cnccn2)C1 952977319 VFLRALQJDQPDEE-MRXNPFEDSA-N 384.484 1.428 0 50 GDAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccccc1-c1nn[nH]n1 1565514260 AVBNSZMDHSKQAU-GJZGRUSLSA-N 386.437 1.427 0 50 GDAA Cc1cc(C)c(CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(O)n1 279199996 JAQUXSBLVJAMSF-AWEZNQCLSA-N 382.486 1.114 0 50 GDAA C[C@@H](CN(C)C(=O)C(=O)N1CCC(O)(C(F)(F)F)CC1)C(=O)OC(C)(C)C 1326939999 XBYJDOHTAHGVTK-NSHDSACASA-N 396.406 1.338 0 50 GDAA Nc1nc(O)cc(N2CCC[C@@H](CNC(=O)CCn3cnc4ccccc43)C2)n1 1506425008 KFVSYCCNOPPRBW-AWEZNQCLSA-N 395.467 1.537 0 50 GDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCN(CC2CC2)CC1 1529160040 ZUKCONPSSCYKLX-UXHICEINSA-N 384.480 1.067 0 50 GDAA Cc1c(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cnn1C 1704299766 SHMOMMXABNFRHS-QAPCUYQASA-N 386.477 1.813 0 50 GDAA O=C(CN1C[C@@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1)N1CCc2ccccc21 1772710688 QXWAZGGBQPVCOH-CVDCTZTESA-N 392.503 1.397 0 50 GDAA O=C(c1nccc2ccccc12)N1CCCN(Cc2cc(O)nc(O)n2)CC1 1772709826 NCAPDCABESUSQA-UHFFFAOYSA-N 379.420 1.784 0 50 GDAA Cc1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c2ncccc2c1 1772708912 GZFVAKNZIUZNJO-KDOFPFPSSA-N 376.434 1.655 0 50 GDAA COCCN1C(=O)C[C@](CC(=O)N(C)[C@H]2CCOC2)(c2ccccc2F)C1=O 11966468 ASBPRCMHARSDBA-VBKZILBWSA-N 392.427 1.106 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NCc3cccn3C)C2=O)cc1 206250200 YWTHLWRVYQXSBB-GOSISDBHSA-N 398.463 1.593 0 50 GDAA CNC(=O)C[C@H]1CN(C(=O)Nc2c[nH]c3cc(Br)ccc23)C[C@@H]1O 1857531623 AJOMTSQZUFCCPT-XPTSAGLGSA-N 395.257 1.891 0 50 GDAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2n(n1)CCN(C)C2=O)CC3 1857677648 LEXDBDASEOZRMU-UHFFFAOYSA-N 379.420 1.657 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(S(=O)(=O)C[C@H]1COCCO1)CC2 1857697345 QNCSJAZREMGWRL-MRXNPFEDSA-N 391.493 1.233 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCC3(N(C)C)CCCCC3)CC2=O)s1 1857727542 SPNNPLYSMBVJBF-CYBMUJFWSA-N 395.529 1.418 0 50 GDAA CCNC(=O)CCN1C[C@@H]2[C@H](CNC(=O)c3ccccc3C)[C@H]3CC[C@]2(C1)O3 1857732860 KTPRQQVHLKIXOV-JZJXAQOMSA-N 385.508 1.730 0 50 GDAA CCN(C)[C@H](C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1)c1ccccc1 252480642 CBSLBVCHFBYAIP-WMZOPIPTSA-N 377.485 1.060 0 50 GDAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCN1CCOCC1 19792125 XSVIMOCBYACATA-UHFFFAOYSA-N 387.436 1.942 0 50 GDAA CNc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCN(C)C(=O)C4)C[C@@H]3C2)cc1 2325826432 BBIXRLFPMXBNLJ-YESZJQIVSA-N 384.480 1.127 0 50 GDAA COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 706373 LHUGFLYZJMAGCP-KRWDZBQOSA-N 394.431 1.322 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 798656 VNGQDRCORHRJCV-UHFFFAOYSA-N 385.438 1.202 0 50 GDAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)Cn2c(=O)cnc3ccccc32)cn1 225432401 MNMFDHBVQWEEDX-MGPUTAFESA-N 380.404 1.447 0 50 GDAA COc1ccc(COCCNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cc1 225508453 NNWDSBDYHYJLDD-SFTDATJTSA-N 398.459 1.927 0 50 GDAA Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2C)c1C 113267472 JYSQEMAPSYODPF-ZFWWWQNUSA-N 380.514 1.058 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCc3snnc3C)C2=O)c1 67435232 QXOHJJOLWBPTFT-GOSISDBHSA-N 394.472 1.638 0 50 GDAA CN1CC[C@@H](c2nc(-c3cccc(OCC(F)(F)F)n3)no2)S1(=O)=O 351340251 ACTIQUURRVZLIL-VIFPVBQESA-N 378.332 1.779 0 50 GDAA C[C@H](C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1)n1cccn1 72150636 FZZAPHSSVGPBCZ-CQSZACIVSA-N 377.452 1.947 0 50 GDAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)c1 72165854 NPEPMUWDWQMVRR-OAHLLOKOSA-N 376.420 1.466 0 50 GDAA CCOCCN1CCN(c2nc(-c3ccccn3)nc3c2c(C)nn3C)CC1 72474557 SVXJHQLIZMIDSA-UHFFFAOYSA-N 381.484 1.892 0 50 GDAA COc1cc(C(=O)N2CCC(C(=O)O)CC2)cc(NS(C)(=O)=O)c1OC 263157623 XYEVDNKOGVCWNG-UHFFFAOYSA-N 386.426 1.012 0 50 GDAA Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 285877040 YMTGGFTVVNDJIU-UHFFFAOYSA-N 383.334 1.209 0 50 GDAA O=C(NCC1(c2ccccc2)CCOCC1)c1cn(C[C@H]2CCCNC2)nn1 426689192 KGCLOJPSANJOAS-KRWDZBQOSA-N 383.496 1.756 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C[C@H]1NC(C)=O 82134294 AVIQQWBXUPXBQN-GDBMZVCRSA-N 381.498 1.328 0 50 GDAA CCN1CCC(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)CC1 222583970 OQKCLOFNADGAOZ-WOJBJXKFSA-N 376.497 1.953 0 50 GDAA CCN1CCC(CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)(N(C)C)CC1 426428263 JCGPDQOYZYIPDO-UHFFFAOYSA-N 382.512 1.872 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCc3[nH]cnc3C1)CO2 96180217 XDHQYMHTWKZFTE-AWEZNQCLSA-N 383.452 1.284 0 50 GDAA O=C([C@@H]1CCCCn2nnnc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 97696161 LFAKHHBCWNBUIZ-CQSZACIVSA-N 381.440 1.447 0 50 GDAA COC(=O)CCOCCOCCOCCOCCNC(=O)OC(C)(C)C 97756910 AAAYNHLOIFCSJR-UHFFFAOYSA-N 379.450 1.141 0 50 GDAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95527379 FKFAPTCYSZLBTC-CMPLNLGQSA-N 377.495 1.820 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)CN2CCCC2)CC3)cn1 91410077 JGBQIPUXFDQNRX-UHFFFAOYSA-N 385.512 1.612 0 50 GDAA COCCN1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3Cl)C[C@]2(C(=O)O)C1 96137727 BLOQJQKGNQRZIU-FZKQIMNGSA-N 384.835 1.513 0 50 GDAA CN1CCN2CCN(C(=O)Nc3cnn(Cc4ccccc4F)c3)C[C@H]2C1=O 97660314 NJHRAQCPXCTHKU-KRWDZBQOSA-N 386.431 1.061 0 50 GDAA CCn1ncc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1C 91987301 SIBVNLFEHIIVDQ-AEFFLSMTSA-N 391.516 1.154 0 50 GDAA COc1cc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)cc(OC)c1OC 91550486 VHAYHSGWTJZPJQ-IAGOWNOFSA-N 380.485 1.085 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(N2CCNC2=O)ccc1F 299751909 SGUKWGXFKADELG-ZDUSSCGKSA-N 379.388 1.451 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1COc2ccccc2O1 253398238 CALAZEPQFWTIHL-IUODEOHRSA-N 381.388 1.083 0 50 GDAA biogenic C[C@@H](CC(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)c1ccccc1 534657550 LLANINKGZNSTQY-AWEZNQCLSA-N 376.482 1.468 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@@]3(CCCN(C)C3=O)[C@@H]2C)cc1 1940195967 ZDGFEWCOWVTKSD-BTYIYWSLSA-N 396.495 1.763 0 50 GDAA Cc1ccc(CN2CCC(CNC(=O)N3CCN4C(=O)OC[C@H]4C3)CC2)o1 584901095 IRGQZEDHDGSLHY-MRXNPFEDSA-N 376.457 1.646 0 50 GDAA CN1CCN([C@H]2CN(C(=O)NC3(Cc4ccc(Cl)cc4)CC3)C[C@@H]2O)CC1 584902558 DOCCDQRFOAQIGS-ROUUACIJSA-N 392.931 1.417 0 50 GDAA Cc1n[nH]c(C)c1[C@H]1CCCN1c1ncnc2c1ncn2C1CC(CO)(CO)C1 1875269324 WQIHQTADTWAFSK-OAHLLOKOSA-N 397.483 1.814 0 50 GDAA O=C1C[C@H](C(=O)N2CCOc3ccc(CO)cc3C2)CN1Cc1ccccn1 952963141 HWQJPBJZQOWMSP-KRWDZBQOSA-N 381.432 1.344 0 50 GDAA CN1C(=O)[C@H](CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)N(C)C1=O 952991330 XFRJYHBREAALPB-HNNXBMFYSA-N 381.392 1.555 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)s1 1565510024 RKICBWFLKWRBND-HOTGVXAUSA-N 378.498 1.659 0 50 GDAA COC(=O)Cc1cccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 170611428 WGMJLTBKNMCPSQ-CYBMUJFWSA-N 383.404 1.940 0 50 GDAA C[C@H]1CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CCN1CC(C)(C)O 188744643 QAOIHTQLAGMRBB-INIZCTEOSA-N 384.480 1.214 0 50 GDAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3CC)C2=O)cn1 189162020 BYIPBJHDWPXMMC-AWEZNQCLSA-N 393.469 1.171 0 50 GDAA Cc1cccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 1506400227 VJAMPZQYVZSZBQ-SFHVURJKSA-N 395.525 1.859 0 50 GDAA CN(Cc1cccc(O)c1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529126304 ACNDKDOMHXMNID-UXHICEINSA-N 381.432 1.877 0 50 GDAA O=C(C1CCOCC1)N1CCCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 1529160026 WGSFAUANHCPUEL-QGZVFWFLSA-N 380.872 1.861 0 50 GDAA CN1CCN([C@H]2CCN(C3CCN(c4ccccc4F)CC3)C[C@@H]2O)CC1 206822415 KUCOGGSFPVAKSM-SFTDATJTSA-N 376.520 1.477 0 50 GDAA NC(=O)c1csc(N2CCCN(C(=O)CCn3cnc4ccccc43)CC2)n1 1775984500 WGXNLGSUCMCFIC-UHFFFAOYSA-N 398.492 1.721 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCCn1ncc2ccccc21 11842307 WZXKMSZHKBSYPR-IBGZPJMESA-N 383.496 1.676 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1n[nH]c2c1CCCC2 11935636 FOAJKHBUENEMPP-GOSISDBHSA-N 375.517 1.484 0 50 GDAA OC1CCN(C[C@H](O)COc2cccc(CNCCCn3cccn3)c2)CC1 11999848 ICFLEZZIPCTMNC-FQEVSTJZSA-N 388.512 1.259 0 50 GDAA CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 12021633 KAVWHBNBJIOHJO-YJBOKZPZSA-N 384.411 1.713 0 50 GDAA O=C(Cn1cc(NC(=O)c2ccccn2)cn1)NC[C@@H]1OCCc2ccccc21 12038701 OZBPZRXKANMCRC-IBGZPJMESA-N 391.431 1.961 0 50 GDAA O=C1NCCN(C(=O)c2cn(Cc3ccccc3F)nn2)[C@H]1c1cccc(F)c1 12710738 NUFNIXMNXVPBCP-SFHVURJKSA-N 397.385 1.918 0 50 GDAA Cc1ccc(-n2cc(CN3CCN4C(=O)[C@@H]5CSCN5C(=O)[C@H]4C3)cn2)cc1 14534566 NLBZDMVFHDJMCH-MSOLQXFVSA-N 397.504 1.109 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)cc(F)c1 14733781 FMRMLVQXXREAMK-BZSNNMDCSA-N 399.397 1.405 0 50 GDAA Cn1nccc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 14974531 OUDUESXMCFCCOS-OAHLLOKOSA-N 384.484 1.615 0 50 GDAA N=c1[nH]c(CCC(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)cs1 1857680412 MPDKLJXNBRFDHA-IBGZPJMESA-N 386.477 1.764 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)s1 1857697969 RTZAXVIVHGOGOU-CYBMUJFWSA-N 386.481 1.197 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccn(C(F)F)n3)C1)CC2 1857702973 KRWOWTCCRPNJDH-SFHVURJKSA-N 392.410 1.960 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)COC[C@@H]2CCCCO2)CC1 1857714758 KPSHDTBSWLSGGO-HNNXBMFYSA-N 375.469 1.883 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)N3CC(c4ccccn4)C3)CC2=O)s1 1857724885 QWKULUULLSZJOY-GFCCVEGCSA-N 387.465 1.449 0 50 GDAA O=C(COc1ccccc1)N[C@H]1CC[C@H](C(=O)NCc2ccccn2)C[C@@H]1O 1875249735 VIZLSGHAGYRXRJ-SNRMKQJTSA-N 383.448 1.423 0 50 GDAA CC[C@]1(C(=O)OC)N[C@@H](c2ccc(-n3ccnc3)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 209923376 CPQSJOAZYWLHEL-ULMVMLMRSA-N 382.420 1.069 0 50 GDAA CCc1ccc(N2CCN(C(=O)NCCN3CCNC(=O)C3)CC2)cc1Cl 807093984 RSFSXGVDUFLTGQ-UHFFFAOYSA-N 393.919 1.166 0 50 GDAA COCCCn1c(-c2ccc(OC)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 3984241 ODECITGYUPPSMR-UHFFFAOYSA-N 397.435 1.399 0 50 GDAA biogenic Cc1nsnc1C(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2F)C[C@H]1O 2100540252 GBPGNIMMIHNGOR-IACUBPJLSA-N 378.429 1.171 0 50 GDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cc(C)c4[nH]c(=N)sc4c3)[C@@H]2C1 2100542986 KTGLVXNMYRGGQG-IACUBPJLSA-N 388.493 1.773 0 50 GDAA O=C1N[C@H](C2(C(F)(F)F)CC2)C(=O)N[C@H]1Cc1cn(Cc2ccccc2)cn1 2325770366 AKRTURNPLBHTHJ-GJZGRUSLSA-N 392.381 1.800 0 50 GDAA NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@H]3C=C[C@@H]1C3)NS2(=O)=O 4212747 BOCUKUHCLICSIY-HZFYHNGZSA-N 389.886 1.230 0 50 GDAA in-vitro CS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCc4ccccc4C3)n2)cc1 4487990 SUSFAIUMXRVHTF-UHFFFAOYSA-N 397.460 1.329 0 50 GDAA Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2ccccc2F)n(C)c1=O 6174410 WWRHXSRPQBLBLG-UHFFFAOYSA-N 385.443 1.607 0 50 GDAA CCOc1ccc(NCCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 9763942 OWNVRTIUYXESRH-UHFFFAOYSA-N 396.451 1.885 0 50 GDAA Cc1nnc(CCNCc2ccccc2OC[C@@H](O)CN2CCSCC2)[nH]1 12313795 BOSFATXOCHTDSH-KRWDZBQOSA-N 391.541 1.234 0 50 GDAA O[C@@H]1CCCN(CCCNc2nc3nonc3nc2N2CCCCCC2)C1 14972415 RBTVUKPVRISQHX-CQSZACIVSA-N 375.477 1.652 0 50 GDAA Cc1nnc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)o1 14974026 JIIOCWFMNBPMTA-QGZVFWFLSA-N 385.468 1.160 0 50 GDAA CCc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1 19924012 YSUQRRDAUAXMJC-UHFFFAOYSA-N 386.481 1.924 0 50 GDAA CCCCCc1nnc(NC(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)s1 23379669 KEJOIIYZVIKXJQ-UHFFFAOYSA-N 378.462 1.379 0 50 GDAA CCn1ncnc1CN1CCN(C)C2(CCN(C(=O)OCC(C)C)CC2)C1 67789539 ATEOJMHUJZLMGV-UHFFFAOYSA-N 378.521 1.673 0 50 GDAA Cn1nc([C@H]2CCCN(C(=O)c3ccnc(N)c3)C2)n(-c2ccccc2)c1=O 67956269 GSLBSBPPJXPNAS-HNNXBMFYSA-N 378.436 1.568 0 50 GDAA CN1C[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OC1=O 72153030 PFKQANXFXWOHPV-HXUWFJFHSA-N 384.436 1.689 0 50 GDAA CC(C)=CCN1CCN(Cc2ccc(C(=O)O)cc2)[C@H]2CS(=O)(=O)C[C@H]21 72470312 USYZTIYYGUPMEU-MSOLQXFVSA-N 378.494 1.634 0 50 GDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1 77323546 CBJYULCTGJJCDM-CYBMUJFWSA-N 382.511 1.718 0 50 GDAA CN1CCN([C@H]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCC(=O)O)CC1 91304591 FZSPKAXAHLDXEI-APWZRJJASA-N 385.512 1.866 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)CC2 91656826 HTLVRCZUZGXWJS-UHFFFAOYSA-N 395.887 1.910 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)N[C@@H](c3ncnn3C)C3CC3)CC2)c1 95358002 UOGNBOIKWBWYLQ-HXUWFJFHSA-N 382.512 1.903 0 50 GDAA O=S(=O)(NC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1cccs1 95529210 GILQZSXOBZPAPD-LLVKDONJSA-N 378.483 1.609 0 50 GDAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1nnc(N)s1 97179324 KQSRBPYOMNWOFD-QMMMGPOBSA-N 376.442 1.904 0 50 GDAA Nc1c(C(=O)CN2CC[C@@H](Cc3ccc(F)cc3)C2)c(=O)[nH]c(=O)n1C1CC1 121282118 FYUMUTQIBKSQGP-ZDUSSCGKSA-N 386.427 1.340 0 50 GDAA CN1CCN(c2ccc(CNC(=O)N[C@H]3c4ccccc4C[C@@H]3O)cn2)CC1 122033013 LJPZXFQGEUYVGG-ICSRJNTNSA-N 381.480 1.291 0 50 GDAA NC(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 131673216 YHFKQFZWBALTGE-MRXNPFEDSA-N 384.411 1.919 0 50 GDAA CC(=O)SCCCCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 170600569 MJUHTFXQCILRFP-UHFFFAOYSA-N 377.466 1.646 0 50 GDAA CC1(C)COCCN1CCNC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 186763889 RKQSYMRFWWZTKI-UHFFFAOYSA-N 376.505 1.230 0 50 GDAA Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)nnn1-c1ccc2ncccc2c1 191858703 SPFUAEYOKAEUTE-ZDUSSCGKSA-N 399.476 1.631 0 50 GDAA Cc1cc2c(N3CCN(C(=O)Cc4ccccc4C(N)=O)CC3)ncnc2s1 192093527 OMOQKAQSFIGGNX-UHFFFAOYSA-N 395.488 1.990 0 50 GDAA O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCN(c2ncccn2)CC1 220717525 OBCWWPNBMCXXFB-OAHLLOKOSA-N 383.427 1.708 0 50 GDAA CCNc1cnc(-c2nc3sc4c(c3c(=O)[nH]2)CCS(=O)(=O)C4)cn1 225840025 IXOXEJCJBFBIKN-UHFFFAOYSA-N 377.451 1.344 0 50 GDAA CNC(=O)c1cccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1 244742085 OBQQDFONTFFVBC-HXUWFJFHSA-N 381.476 1.954 0 50 GDAA C[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248075432 UALNWUYJNXMJMR-KCPJHIHWSA-N 380.408 1.155 0 50 GDAA O=C(CCc1nc(O)c2ccccc2n1)NCCn1cnc2ccccc2c1=O 252508542 XOVKAPVZQSCLJT-UHFFFAOYSA-N 389.415 1.794 0 50 GDAA biogenic C[C@@H]1OC(C)(C)O[C@H]1[C@H]1CNc2nc(N)nc(O)c2N1C(=O)c1cccnc1 253623273 PRBIBKGAXKRAAU-UFGOTCBOSA-N 386.412 1.140 0 50 GDAA O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2nc(-c3cccnc3)nc3c2CCC3)N1 269034385 JWXSWHUDZZPTJQ-XCLFUZPHSA-N 378.436 1.818 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1)C1CCC1 408521283 OHBCEYQNMLXKFL-LFYPYMNQSA-N 376.478 1.815 0 50 GDAA Cc1cc(C)nc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 426428343 OUZGIHSQXGRLLY-INIZCTEOSA-N 385.516 1.563 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C[C@@H]1C 864097064 KBFZJPKRGVLBEA-OCAPTIKFSA-N 379.251 1.964 0 50 GDAA COc1cc(-c2noc([C@@H]3CCc4nnn(CCN(C)C)c4C3)n2)ccc1O 952893689 IPNVHAUJPJIHAV-CYBMUJFWSA-N 384.440 1.876 0 50 GDAA COC[C@]1(C(=O)N2CCC(c3nccc(-c4cncnc4)n3)CC2)CCNC1 952895080 SFNODWHQRVPPFZ-FQEVSTJZSA-N 382.468 1.266 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 952968977 QXWXGPDCCLNZGQ-IBGZPJMESA-N 388.512 1.697 0 50 GDAA COc1cc(NC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)cc(-n2cnnn2)c1 952977525 QFRZNIXEEGAJFF-ZDUSSCGKSA-N 397.443 1.047 0 50 GDAA Cc1nc2ccccn2c1CC(=O)N1C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C1 1614976227 KXFCGFHHCHDUIV-CABCVRRESA-N 378.498 1.217 0 50 GDAA Cc1nnnn1Cc1ccc(-c2nc([C@@H]3CCOC3)nn2-c2ccnn2C)cc1 1772705832 AHLUCGOOOXZEIX-MRXNPFEDSA-N 391.439 1.515 0 50 GDAA CN1CC[C@]2(C(=O)NCc3ccccn3)CCCN(C(=O)c3cn(C)cn3)[C@H]2C1 1775980626 FPSCFTRKXXNFIV-GHTZIAJQSA-N 396.495 1.058 0 50 GDAA Cn1nc(C(=O)O)nc1N1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 1857668707 DIDLOUIRPNAVMP-LBPRGKRZSA-N 389.412 1.054 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)c2)on1 1857669033 GMECJMBWOXYKIL-QFBILLFUSA-N 392.477 1.978 0 50 GDAA Cc1cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)nc(C)n1 1857676003 ALYLWDLUIQAVOY-KBPBESRZSA-N 388.449 1.047 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCn2cc(C)nn2)CC[C@@H]1Nc1ncccn1 1857694787 XMNVJGGWKUZRAE-ULQDDVLXSA-N 387.488 1.569 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cnc4cccnn34)C1)CC2 1857698387 OJLRDMHOZISMAH-FQEVSTJZSA-N 393.451 1.411 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)cc1 1857715494 UVBRAPSAJXOJBL-NEWSRXKRSA-N 384.484 1.127 0 50 GDAA Cc1cccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)n1 1857725436 WWSOOXPXTGHCGI-PMACEKPBSA-N 382.464 1.700 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1C 1857730640 XXSMJZLOAVMLNU-WDYCEAGBSA-N 394.493 1.750 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCCOCc3ccccc3)CC2=O)s1 1857735988 XPFNEYVUEDZTRI-CQSZACIVSA-N 390.465 1.370 0 50 GDAA COc1ccc(-c2nc(N[C@H]3CCC(=O)NC3=O)cc(N3CCCC3)n2)cc1 1857797841 ZQLZXDLJAHPUGF-HNNXBMFYSA-N 381.436 1.970 0 50 GDAA NCC(=O)N1C[C@H]2NC(=O)CCc3ccc(O)c(c3)Oc3cccc(c3)[C@@H]2C1 1875240601 DVPKGZDOJDNYGM-DLBZAZTESA-N 381.432 1.500 0 50 GDAA O=C(CN1CC[C@](O)(c2cc[nH]n2)C1)NCCOc1ccc2ccccc2c1 1875281550 HLSPQZNEMLKUTB-OAQYLSRUSA-N 380.448 1.651 0 50 GDAA Cc1nc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)nc(N2CC[C@@H](N)C2)c1C 1875301487 LCRGPDQRHLNVHY-OAHLLOKOSA-N 388.516 1.102 0 50 GDAA O=C(Cc1nc[nH]n1)N1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC(F)(F)C3)C2)C1 1875322210 LZQQLQCEJRHGQU-HUUCEWRRSA-N 395.454 1.870 0 50 GDAA O=C(NS(=O)(=O)c1ccccc1NC(=O)C1CC1)C1=C2CCN=C2NC=C1 1875343005 CFOOEBPOPJEXEL-UHFFFAOYSA-N 386.433 1.056 0 50 GDAA CN(CC1CCOCC1)C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350524 QLQHKLAKJDYXJY-UHFFFAOYSA-N 383.408 1.587 0 50 GDAA Cc1cccnc1NCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1940195401 AOXQHLSUIDUFET-SJORKVTESA-N 388.855 1.828 0 50 GDAA Cc1cnn(C2CCN(C(=O)C(=O)NCc3cc4c(nc3O)CCC4)CC2)c1 2325726204 YQRJURXWBPCNKL-UHFFFAOYSA-N 383.452 1.261 0 50 GDAA CC(=O)c1cc(N(C)C[C@@H](O)CN(C)C(=O)Cc2ccc(Cl)s2)ncn1 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376.457 1.724 0 50 GDAA Cc1ccccc1-c1noc(CN2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)n1 92001598 IHYYRVUGBGNZQG-HUUCEWRRSA-N 376.482 1.901 0 50 GDAA CS(=O)(=O)N1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@@]2(C(=O)O)C1 96152163 OTXAQJUPROAATN-RDTXWAMCSA-N 375.450 1.013 0 50 GDAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCN(CCS(C)(=O)=O)CC3)c2c1 95528608 QETFOVNCIRVXFK-UHFFFAOYSA-N 389.521 1.962 0 50 GDAA Cc1nnnn1-c1cccc(C(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)c1 91943174 IQSNIIXDVPEKNW-HXUWFJFHSA-N 382.468 1.834 0 50 GDAA C[C@H](O)CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccncc2)c1 95380959 MQUKDWJGZSSXDP-AWEZNQCLSA-N 377.466 1.103 0 50 GDAA O=C1NCCN1C1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 182217396 FGCGIZHRHRAMJR-AWEZNQCLSA-N 387.402 1.935 0 50 GDAA CSCC[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252549715 RTEAVNAKUIHHCZ-HUUCEWRRSA-N 379.482 1.322 0 50 GDAA C[C@@H]1O[C@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]12 251553806 BJIVRXVQKYQZNQ-JRPNMDOOSA-N 391.855 1.915 0 50 GDAA COc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1Cn1cccn1 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CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2cc(F)ccc2F)CC1 888103369 FEJKWBLBFSQQAI-RBUKOAKNSA-N 392.450 1.944 0 50 GDAA CCc1ncnc(N[C@@H]2CN(C(=O)COCCOC)C[C@H]2C(F)(F)F)c1F 1775993675 VCUDXYZAROWPNO-ZYHUDNBSSA-N 394.369 1.642 0 50 GDAA Cc1nc2cc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)ccc2s1 1704342854 RJTJWFHFWXPSCV-JSGCOSHPSA-N 383.495 1.241 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2CCNC[C@H]2O)ccc1F 1704311656 OQEDELWJFDXXGK-CHWSQXEVSA-N 378.404 1.008 0 50 GDAA C[C@H](C(=O)Nc1cccnc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380941 SOEFOSQNUZKTTK-GFCCVEGCSA-N 377.422 1.646 0 50 GDAA Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cccc(F)c3)nn2)n1 19924144 XJKGKVREKVTIHK-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA O=C(c1cccs1)N1CCC(N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)CC1 1857681879 PMCUXRFUGBUYQC-ULQDDVLXSA-N 379.526 1.166 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O)c1cccc(F)c1 1875251195 QVNIVCAJKBNSMI-SZMVWBNQSA-N 388.443 1.488 0 50 GDAA CS(=O)(=O)c1ccc(CNC(=O)N2CCC(Cn3ccnn3)CC2)cc1 163682189 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1.390 0 50 GDAA CN(CCC(N)=O)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 95531113 ZGYOFQHCZACFMM-NRFANRHFSA-N 397.519 1.792 0 50 GDAA O=C(c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)N1CCOCC1 239338763 LEKVDIWKYKCQGN-XREYTECCSA-N 378.428 1.717 0 50 GDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4nccn4CC4CC4)CC2)[C@@H]3C1=O 95502199 PORXKMXESMJGKW-AYMMHLMVSA-N 396.491 1.411 0 50 GDAA C[C@H]1CN(C[C@@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@@H]2CO)C[C@@H](C)O1 95363180 KLDZXVXEVLWZNT-CYGHRXIMSA-N 384.480 1.420 0 50 GDAA O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)N2CCCCC2)cc1 96180857 MOZPZEDYSYATMU-CQSZACIVSA-N 379.482 1.869 0 50 GDAA COC(=O)[C@@]12[C@H]3C[C@]4(CCC4=O)[C@H]4[C@H]3[C@@H]3[C@H]1[C@]1(CCC1=O)C[C@H]3[C@]42C(=O)OC 247813974 FIWIWCSYFWAURN-CIOYPWFBSA-N 384.428 1.549 0 50 GDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCCC2 252537482 LIVRPLUAEPJVPW-GOSISDBHSA-N 383.448 1.413 0 50 GDAA CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](C)n2cnc3ccccc32)CC1 544570039 MWFQWMOVXJFPGJ-CQSZACIVSA-N 378.498 1.775 0 50 GDAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(C)c1=O 824134621 SUXQPMQGOLDEII-GFCCVEGCSA-N 377.393 1.817 0 50 GDAA biogenic Cc1cc2c(N3CCC[C@H]3C(=O)N3CC[C@H](c4nn[nH]n4)C3)ncnc2s1 1875340042 JEZDDUJGFVPOGG-AAEUAGOBSA-N 384.469 1.498 0 50 GDAA O=S(=O)(c1c[nH]nc1C1CCC1)N1C[C@@H]2COC[C@]2(CN2CCCCC2)C1 1875393514 HREKWLMYYHRDHS-APWZRJJASA-N 394.541 1.800 0 50 GDAA Cc1cc(C(=O)N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCCC4)n3)C2)n[nH]1 1875396263 ZZNARKZNIFEZRA-OAHLLOKOSA-N 381.484 1.280 0 50 GDAA C=CC(=O)N(Cc1cn(C)nc1I)[C@@H]1CCCC[C@H]1O 1875325340 VYRCYBSRQZYDBM-VXGBXAGGSA-N 389.237 1.843 0 50 GDAA CNc1cc(N2C[C@H](O)C[C@@H]2CN[C@H](C)c2ccccc2-n2cccn2)ncn1 1875400028 PGEUJGNOTCMLKR-BRWVUGGUSA-N 393.495 1.994 0 50 GDAA CN(C)[C@@H]1CCC[C@H](C(=O)N2CCc3nnc(N4CCCOCC4)cc3C2)C1 952891041 TYVVCZUUPKIRCH-FUHWJXTLSA-N 387.528 1.708 0 50 GDAA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)N1CCc2c(ncn(C)c2=O)C1 888102490 XOWORJXHZFOIOS-CYBMUJFWSA-N 394.435 1.529 0 50 GDAA C[C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1 188405465 WYHFVAWOONUODM-LLVKDONJSA-N 379.258 1.369 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)c3cc(CC(C)C)nc(O)n3)cc2C1=O 1506403705 YOODFGYWOWTODK-UHFFFAOYSA-N 399.451 1.690 0 50 GDAA O=C(CN1CCOC1=O)N1CCCN(C(=O)c2cc(O)nc3ccccc23)CC1 1529159559 UDYFGGYUFHAJQO-UHFFFAOYSA-N 398.419 1.067 0 50 GDAA COc1cc2nc(N3C[C@H](O)[C@H](Cc4cc(C)no4)C3)nc(N)c2cc1OC 1704332007 WFRYVMLJKLVLBA-ABAIWWIYSA-N 385.424 1.565 0 50 GDAA C[C@]1(NC(=O)c2ccncc2)CC2(CCN(c3cnccn3)CC2)OC[C@@H]1O 1772704513 BYGHIMQKQJCUTH-LPHOPBHVSA-N 383.452 1.181 0 50 GDAA O=C(CCc1ccccc1O)N1C[C@@H]2CN(CCCn3cccn3)C[C@]2(CO)C1 1772819312 IKASZJINUKVMLT-SIKLNZKXSA-N 398.507 1.364 0 50 GDAA Cn1ncnc1[C@H]1C2=c3c(cc(F)cc3=N[C@@H]1c1ccc(F)cc1)C(=O)N=N2 208028742 DOPMZPNFOLMDFP-HZPDHXFCSA-N 378.342 1.966 0 50 GDAA Cn1ccn2ncc(C(=O)N3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)c12 1857667738 QUUOGCGSTZOCJS-HXUWFJFHSA-N 379.420 1.562 0 50 GDAA O=C(CO)N1CC[C@@]2(C1)Cn1c(nnc1Cc1cccc3ccccc13)CO2 1857694935 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CC(C)[C@H](C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]c3cnccc23)C1)N(C)C 2325808573 CTARHDLYHBRGSL-OXJNMPFZSA-N 385.512 1.799 0 50 GDAA Cn1cnc(-c2ccc(NC(=O)c3ccc4c(c3)CC[C@H](N)C(=O)N4)cc2)n1 2325855869 RZGDIDLBESSPTL-INIZCTEOSA-N 376.420 1.946 0 50 GDAA CCc1ccccc1CN1CC2(C[C@H](NC(=O)c3nnn(C)n3)c3nccn32)C1 2332237882 PSOHRWLPXFHYFP-INIZCTEOSA-N 392.467 1.055 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1cccc2ccccc12 796265 FMRFOEJOCKHLKH-UHFFFAOYSA-N 390.447 1.034 0 50 GDAA COc1ccc(OC)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 896536 WVBONRZAGIHWMD-UHFFFAOYSA-N 376.390 1.487 0 50 GDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@](F)(Cl)C(F)(F)F)cc1 2766181 PLYZJDGWXJPNTO-JTQLQIEISA-N 376.715 1.917 0 50 GDAA O=C1N[C@H](c2cccc(O)c2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 4269936 IKZIMWGLKBWNBI-ZENOOKHLSA-N 381.310 1.891 0 50 GDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OCC(=O)O)c(OC)c1 4810925 FCCZMGYUXUTHSB-CYBMUJFWSA-N 384.772 1.613 0 50 GDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)cc(OC)c1 11753823 PJHABLIOPGPBEI-LJQANCHMSA-N 389.496 1.843 0 50 GDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 12439130 GODHSCHYEQJSFH-QGZVFWFLSA-N 392.463 1.989 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O 13816631 LYBGNNRZTFOIPZ-UHFFFAOYSA-N 397.435 1.410 0 50 GDAA CSc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1 14966725 UCAOJJWDZYSNAB-OAHLLOKOSA-N 375.498 1.559 0 50 GDAA c1ccc(CO[C@H]2CCCN(c3nc4nonc4nc3N3CCOCC3)C2)nc1 15066495 KSFATVKFWWLUEZ-HNNXBMFYSA-N 397.439 1.430 0 50 GDAA CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 22521547 QPUZFLOTOAGRCG-MRXNPFEDSA-N 383.514 1.608 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(F)cc1F 65364216 ZLKDMBJFLKREEX-UHFFFAOYSA-N 383.376 1.468 0 50 GDAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1cccnc1)N[C@]2(C(=O)OC)c1ccccc1 65366281 PWCGTCTWFAQBOZ-BZLDKRAPSA-N 379.416 1.416 0 50 GDAA CN(CCC[C@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67588663 UPAVRXPFYIJAGN-NSHDSACASA-N 388.511 1.672 0 50 GDAA CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1nnc2n1CCNCC2 67642495 QZJBFJCIOHBHRO-JZUUQJBKSA-N 375.498 1.711 0 50 GDAA COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](N(C)CCN(C)C)C3)c(=O)c2c1 72131775 LKVTVAARYLQRTL-OAHLLOKOSA-N 386.496 1.635 0 50 GDAA O=C(c1cc(=O)[nH]c(O)n1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 72161981 ZCBJUCJPXBOPPW-FQEVSTJZSA-N 386.427 1.743 0 50 GDAA CC1=C(CCN2CCOC[C@@H]2CC(=O)NCc2nnn[nH]2)C(C)(C)CCC1 72409535 RYOZAXDOZCLNTM-HNNXBMFYSA-N 376.505 1.824 0 50 GDAA Cc1nc[nH]c1CN1CCN(C/C=C/c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72463206 PFWRIKKMOSPCHV-SMYWTMEASA-N 386.521 1.715 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](C)N)C2 77426413 WTIBUZLMSXOSCZ-CQSZACIVSA-N 379.526 1.729 0 50 GDAA O=C(C1CC1)N1CCN(C(=O)CCc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77438171 BLDQODQTYGQOKL-DLBZAZTESA-N 394.468 1.005 0 50 GDAA CSc1nc(C(=O)N2CCC3(CC2)CN(CCC(=O)O)C(=O)O3)cs1 77457747 NAZZOCHZNHBAIC-UHFFFAOYSA-N 385.467 1.767 0 50 GDAA CCN(CCO)C[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1CO 91289292 AINYHCMCMUEFOJ-HUUCEWRRSA-N 392.525 1.143 0 50 GDAA Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H](N)c3c(C)n[nH]c3C)CC2)cc1 91487183 FAQCESDBLFFSCV-LJQANCHMSA-N 383.496 1.890 0 50 GDAA O=C(Cc1c(F)cccc1Cl)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91820281 AZBYQFLZTRLHGO-ZIAGYGMSSA-N 384.879 1.545 0 50 GDAA Cn1ncc(Cl)c1C(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95359482 XXBGEZXPJMPPJR-KPZWWZAWSA-N 375.812 1.852 0 50 GDAA Cc1cccc2cc(CO)c(N3CC[C@@]4(O)CCN(C(=O)N(C)C)C[C@H]4C3)nc12 95380865 BOKPBKIVEDBIHY-XMSQKQJNSA-N 398.507 1.980 0 50 GDAA COc1cc(CN(C)C2CCOCC2)ccc1OC[C@H](O)CN1CCOCC1 95504079 SAOKSGTVLRHVAE-LJQANCHMSA-N 394.512 1.378 0 50 GDAA O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 96299697 VIBTXOKSWZEOQK-CQSZACIVSA-N 397.387 1.098 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ccc(C(=O)N2CCOCC2)cc1 131556247 VHXLCABCKRYVDM-UHFFFAOYSA-N 380.404 1.441 0 50 GDAA CC[C@@H](C(=O)O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 191418934 VBLWAGOWYVBYOQ-AWEZNQCLSA-N 385.258 1.835 0 50 GDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1cccc(OC)c1OC)C2 216255479 JXHOLXRZTXEIFQ-CVEARBPZSA-N 376.453 1.342 0 50 GDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2I)[C@H]2C=C[C@H]1O2 239308859 HAQIGTBNXIJVGQ-DDHJBXDOSA-N 385.157 1.884 0 50 GDAA CSCC[C@H](CO)NC(=O)Cc1nn(CC(C)C)c(=O)c2ccccc12 252485416 GUOXRDKOWPCGBV-CQSZACIVSA-N 377.510 1.825 0 50 GDAA Cc1ccc(S(=O)(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 253420971 OAQYSUJLCLUWEP-UHFFFAOYSA-N 376.221 1.364 0 50 GDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cccc(OC(F)F)c2)c1O 253623702 ICUXCEXKKJPOAS-SNVBAGLBSA-N 382.319 1.888 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cn1 275296474 MJXSOFYBVABYQK-KRWDZBQOSA-N 379.438 1.436 0 50 GDAA CNC(=O)c1ccn([C@@H]2CCCN(C(=O)c3cnc(OC)c(Cl)c3)C2)n1 284884426 LGGLYHUHKMAWEQ-GFCCVEGCSA-N 377.832 1.777 0 50 GDAA CCCCOC(=O)c1ccc(NC(=O)Cn2nc(C)c(C)c(CO)c2=O)cc1 328593159 LJDGKSJSDDSWLU-UHFFFAOYSA-N 387.436 1.948 0 50 GDAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1=O 328612484 OUBBNHREAVAHLR-QGZVFWFLSA-N 388.493 1.773 0 50 GDAA COCCn1cc(C[C@@H]2N=C(O)N(CCc3ccccc3Cl)C2=O)nn1 328612781 PWDKOLMQGWWFGS-HNNXBMFYSA-N 377.832 1.488 0 50 GDAA Cc1cc(N2CC[C@@H](NC(=O)NCc3ccc4c(c3)OCCO4)C2=O)n(C)n1 363290326 ZFUAOUMJSLVVDR-CQSZACIVSA-N 385.424 1.104 0 50 GDAA CN(Cc1ccc2ccccc2n1)c1cc([C@H]2CCOC2)nc(NCCO)n1 426407730 ZDUNEDQJCAHXED-INIZCTEOSA-N 379.464 2.569 0 50 GDAA Cc1nnc(SCCCNC(=O)N2CCN(c3cnccn3)CC2)s1 426408949 NFSCWFNOKSCXIR-UHFFFAOYSA-N 379.515 1.651 0 50 GDAA O=C(NCCCN1CCC(O)CC1)N1CCC([C@@H](O)c2ccccn2)CC1 426423117 TWSDXAHCHYJSCI-LJQANCHMSA-N 376.501 1.383 0 50 GDAA Nc1cc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc(N2CCOCC2)n1 426618384 RGVQUPOYXRJSIQ-INIZCTEOSA-N 383.452 1.471 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cnc(O)c(Cl)c2)cc1 670449467 APKNCVCPKCVUBP-UHFFFAOYSA-N 383.857 1.847 0 50 GDAA O=C1C[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C2(CCCC2)O1 828244533 KHSWARGWFOANQO-UFTDPOHCSA-N 385.468 1.713 0 50 GDAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N(Cc1ccncc1)C1CC1 952966993 LOMXFFMDRWQQQK-GOSISDBHSA-N 377.510 1.472 0 50 GDAA O=C1CO[C@H](C(=O)NCc2nc(C3CC3)no2)[C@@H](c2ccccc2Cl)N1 1529118871 PFXIWUKALVNBJR-CABCVRRESA-N 376.800 1.473 0 50 GDAA CCC[C@H]1COC[C@H]2CN(C(=O)CCC(=O)Nc3cccc(O)c3)CCN12 1529161759 OLVNJIFZVMHQDO-DLBZAZTESA-N 375.469 1.823 0 50 GDAA OCCN1CCN(C2CCN(Cc3nnc(-c4cccc(F)c4)o3)CC2)CC1 1529186463 FRAXCTMSWSDSMQ-UHFFFAOYSA-N 389.475 1.450 0 50 GDAA O[C@H]1CN(Cc2cccc3nonc23)CC[C@@H]1N1CCN(c2ccccn2)CC1 1615700416 OQOTXCPWMHSLNU-OALUTQOASA-N 394.479 1.375 0 50 GDAA Cc1nc2ccc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2s1 1704343725 YJEXJSSWJQJCPY-JSGCOSHPSA-N 383.495 1.241 0 50 GDAA OC[C@]12CN(Cc3cc[nH]n3)C[C@H]1CN(C1CCN(c3ccccc3F)CC1)C2 1772704611 JUVNVIZJGVUXQM-HTAPYJJXSA-N 399.514 1.944 0 50 GDAA CCn1cc(C(=O)N2CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)cn1 1772711046 VNNGMPJWEKRQNT-SFHVURJKSA-N 395.463 1.452 0 50 GDAA CN(C)C[C@]12CN(Cc3ncc[nH]3)C[C@@H]1CN(C(=O)CCc1ccncc1)C2 1772819859 VVAZLBRKUPQAHH-WIYYLYMNSA-N 382.512 1.260 0 50 GDAA CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccc(F)cc4)CC3)[C@@H]2C1 1775962087 RXPMNEQAAMMOBJ-SJORKVTESA-N 389.427 1.872 0 50 GDAA Cn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1CCn2nccc2C1 1857679619 ZFLLPXGAUQKMBR-HNNXBMFYSA-N 388.435 1.693 0 50 GDAA Cc1nc(CN2CCOC3(CCN(Cc4ncc[nH]4)CC3)CC2=O)cs1 1857686020 FEDZQVXGOGDIDF-UHFFFAOYSA-N 375.498 1.958 0 50 GDAA O=C(N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1)C1(CO)CC1 1857696608 IUJATWAVDLUNNI-HXUWFJFHSA-N 380.448 1.823 0 50 GDAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)cc12 1857712437 PACXIPSPIMRRAY-KGLIPLIRSA-N 396.472 1.982 0 50 GDAA Cc1nsnc1C(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2ncccn2)CCO1 1857734965 AJJFKVROPRXAEW-UOIKSKOESA-N 386.481 1.679 0 50 GDAA O=C(c1cncc(N2CCCC2=O)c1)N1CC(n2cnc3ccccc3c2=O)C1 1875274683 RILKXIIERWBCKJ-UHFFFAOYSA-N 389.415 1.615 0 50 GDAA N[C@H]1CCn2ncc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)c2C1 1875277270 PWPOQRDJWWHAAC-AWEZNQCLSA-N 386.431 1.286 0 50 GDAA O=C1CC2(CCN(C(=O)c3cc(C(F)(F)F)nn3C3CC3)CC2)[C@@H](O)CN1 1875308600 NTRQZAGQGAZYMT-ZDUSSCGKSA-N 386.374 1.340 0 50 GDAA O=C(c1cc2cnccc2[nH]1)N1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 1875309045 NWGXZLPZKIOBPR-CYBMUJFWSA-N 378.436 1.376 0 50 GDAA CN(C[C@H]1CCN(C(=O)c2nsc3ccccc23)C1)C(=O)[C@@H]1CCNC1=O 1875360336 GANMFBMZJOKUQM-TZMCWYRMSA-N 386.477 1.353 0 50 GDAA C=CC(=O)N1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C)C1 1875381579 ZXWQPELLYMMVRP-NSHDSACASA-N 385.873 1.570 0 50 GDAA COc1ccc(-c2nc(CNC(=O)[C@@H]3CN(C)CC[C@H]3O)c(C)o2)cc1O 2100556743 GQIMYTLGYXTYMB-UKRRQHHQSA-N 375.425 1.293 0 50 GDAA O=C(NCC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1ccc2nn[nH]c2c1 2325701745 XRKYHZUIOWHRQO-KRWDZBQOSA-N 398.854 1.514 0 50 GDAA CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 2325816248 OMTGTDTYWRKLPN-CZUORRHYSA-N 381.498 1.109 0 50 GDAA CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325897719 FWIPJUOUMAJMAS-BBRMVZONSA-N 397.431 1.493 0 50 GDAA CN(Cc1ccon1)C(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 2356146439 GLJZRZLMWGVVOA-WBAXXEDZSA-N 382.420 1.684 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C1 2356168538 HTSJORKHBRINSO-NTZUZEMLSA-N 389.496 1.549 0 50 GDAA O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4911490 LRZICFJNJVZQCV-UHFFFAOYSA-N 394.472 1.629 0 50 GDAA CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CC(F)F)C2)c1 416341830 YHRKLCGEYSBZTE-CYBMUJFWSA-N 375.441 1.443 0 50 GDAA Cc1ccc2[nH]c(=O)cc(C(=O)NCc3cccnc3N3CCN(C)CC3)c2c1 67650824 JCXDGMVGHKZJIE-UHFFFAOYSA-N 391.475 1.913 0 50 GDAA Cn1cncc1[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 328627933 NENMVUNNEFTQKW-CXAGYDPISA-N 393.465 1.780 0 50 GDAA Cc1ccccc1-c1noc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)n1 67604625 IHFZEPIZMOZBSE-UHFFFAOYSA-N 392.481 1.675 0 50 GDAA Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(N)=O)O2 30946375 UFOPJXZVSIWQQE-MRXNPFEDSA-N 389.433 1.260 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC(C)(C)OC2(CCCC2)C1 329967749 SRNVVJWTDCBOMZ-ZDUSSCGKSA-N 399.513 1.908 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 72411208 FHVWLEKTSNELBF-UHFFFAOYSA-N 379.464 1.878 0 50 GDAA CCC[C@H](C)N1CC2(CCN(C(=O)Cn3nc(C)ccc3=O)CC2)OC1=O 77428319 YAUGOFBXLRQJCN-HNNXBMFYSA-N 376.457 1.554 0 50 GDAA NC(=O)[C@H]1CC(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)=NN1c1ccccc1 363408811 VMEIEKYRMSNLEE-DOTOQJQBSA-N 382.424 1.121 0 50 GDAA CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 366080872 BRDQDQFBDBELSN-QGZVFWFLSA-N 394.541 1.958 0 50 GDAA Cc1c(C(=O)NCCc2nc(=O)o[nH]2)cnn1-c1ccc(Br)cc1 447634868 VKNMTXIRODIWAI-UHFFFAOYSA-N 392.213 1.592 0 50 GDAA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C 370672635 GOZBBODFVWQTJP-HXUWFJFHSA-N 396.491 1.612 0 50 GDAA O=C(NCCCCO)[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 72426007 PYFJGUMVESWQIM-KRWDZBQOSA-N 376.432 1.305 0 50 GDAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)[nH]2)CC1 132864535 IAWCJHNVSNFUFY-UHFFFAOYSA-N 383.396 1.604 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)c3cnc4ccnn4c3C)cc2C1=O 71738900 OGJPHRAAYGCJJU-UHFFFAOYSA-N 380.408 1.347 0 50 GDAA COc1cccc(C)c1C(=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72426930 MXWLNJKQRGLZLM-CVEARBPZSA-N 378.494 1.337 0 50 GDAA CCCN1CCN(C(=O)CCc2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 77538969 NHDRTSOWDIRCLX-SJORKVTESA-N 380.510 1.348 0 50 GDAA Cn1nc2c(cc1=O)CN(Cc1csc(CNC(=O)c3ccccc3)n1)CC2 175775357 SQCVBTDLUMWNJG-UHFFFAOYSA-N 395.488 1.725 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@@H](CN2CCOCC2)C1 220689590 JNHGJXWQOURTNG-SFHVURJKSA-N 383.492 1.881 0 50 GDAA COc1ccc(OC2CCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)cc1 82109060 PMRHYDNSTUWLDP-MRXNPFEDSA-N 375.425 1.348 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cnc(NC[C@@H]3CCCO3)nc1)C2 426487282 CFYJOTHSKPFWGX-SFHVURJKSA-N 399.499 1.306 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)s1 426465186 KOYMARBAIYKMRJ-CQSZACIVSA-N 376.530 1.899 0 50 GDAA COc1ccccc1CN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 230068807 JOSCKCTUMCZXRI-QZTJIDSGSA-N 386.473 1.710 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cc(F)ccc2N1 91593189 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COCCCn1cnnc1CNCc1cccc(OC)c1O[C@@H](C)C(=O)O 952873490 ZKBOSLZNWUEUMG-ZDUSSCGKSA-N 378.429 1.465 0 50 GDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cn(CC(C)C)nc1C(F)F 888101822 HTHAMVPRSOHGIT-GHMZBOCLSA-N 380.417 1.410 0 50 GDAA COc1ccccc1C1(CNC(=O)N2[C@H]3CCO[C@H]3C[C@@H]2C(=O)N(C)C)CC1 1775960963 JBRMUEPQYNGLIG-JZXOWHBKSA-N 387.480 1.756 0 50 GDAA O=C(c1nnc2n1CCCCC2)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 1565512511 VOCDDWOBQRRHQP-WBVHZDCISA-N 394.479 1.663 0 50 GDAA CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 274512163 VMAFXESFOKNZQF-UHFFFAOYSA-N 383.905 1.649 0 50 GDAA O=C1CO[C@H](C(=O)NC2CCN(Cc3ccco3)CC2)[C@@H](c2ccccc2)N1 1529197537 RMGLXFSGTZHKSZ-UXHICEINSA-N 383.448 1.617 0 50 GDAA Cc1ccc(CC(=O)N2C[C@H]3CN(C(=O)c4cccc(O)c4)C[C@]3(CO)C2)cc1 1772709396 JHEGCDAWRBHEML-CVDCTZTESA-N 394.471 1.836 0 50 GDAA CN(C)C[C@]12CN(C(=O)CCc3cnccn3)C[C@@H]1CN(C(=O)c1ccco1)C2 1772711650 AZSDNNXVSAAFOX-IIBYNOLFSA-N 397.479 1.165 0 50 GDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(CCCc1ccccc1)CC2 11983362 KUCTXCHTRLPLKI-KRWDZBQOSA-N 385.512 1.983 0 50 GDAA COc1cc(CNCCn2cccn2)ccc1OC[C@H](O)CN(C)C(C)C 12049974 IXHJOKXVOWUYOK-GOSISDBHSA-N 376.501 1.761 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)c(OC)c1 12703816 FFVCYRLKOUUYSX-KRWDZBQOSA-N 375.469 1.453 0 50 GDAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H](O)C3)cc(-n3cnnn3)c2)c1 15068929 SREHRAPKHQBMPC-GOSISDBHSA-N 379.420 1.935 0 50 GDAA Cc1cc(Br)cnc1C(=O)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857531230 RYUYNUUTINEHAP-UBHSHLNASA-N 379.258 1.919 0 50 GDAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCc3[nH]nc(-c4ccccc4)c3CC1)CC2 1857699462 VDWCICFIGLUKIW-OAHLLOKOSA-N 392.463 1.162 0 50 GDAA CN1CC[C@]2(C(=O)NCc3cccnc3)CCCN(C(=O)c3ncc[nH]3)[C@H]2C1 1857703795 RTWKRJJQSCNTKN-OXJNMPFZSA-N 382.468 1.048 0 50 GDAA COc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4cccnc4)[C@H]4CC[C@]3(C2)O4)nc1 1857722630 KOUBXVGGGRRXKL-TVKQPGBESA-N 381.436 1.294 0 50 GDAA Cc1nsnc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857733104 VKQUSJHFBCWRKO-RDJZCZTQSA-N 389.481 1.156 0 50 GDAA COCCn1nnc([C@H]2CN(c3cc(C)c4cccc(OC)c4n3)CCO2)n1 1875246390 FFDXCFBOGXWZRW-MRXNPFEDSA-N 384.440 1.763 0 50 GDAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC1C2CC3CC(C2)CC1C3 245704569 RLBVODNVZDXFIJ-OKJFOMDNSA-N 386.492 1.727 0 50 GDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCSc1nnc(-c3ccncc3)o1)C2 248057398 SWYWATADSXCMKC-KGLIPLIRSA-N 387.465 1.693 0 50 GDAA O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 363712067 SFDDGRDVIXFSCN-QUCCMNQESA-N 385.508 1.908 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cn1C 264777617 SUWSITDEQPXVLX-CYBMUJFWSA-N 382.511 1.848 0 50 GDAA Cn1cc([C@@]2(CNC(=O)N(CCc3ccccc3)CC(=O)O)CCCO2)cn1 900308601 LHAGPUVMRCPCQS-FQEVSTJZSA-N 386.452 1.765 0 50 GDAA Cc1ccc(N2CCCC2=O)c(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c1 2325785915 UHGQTOQRUVKTHW-KVSKMBFKSA-N 382.464 1.888 0 50 GDAA CC1(C)CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@H](C(=O)O)O1 2325812968 YCDAAOIJTYJBKR-SNVBAGLBSA-N 384.230 1.821 0 50 GDAA Cn1cc(C[C@H](N)C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)cn1 2325875559 WLJGIVDHFITWNJ-HNNXBMFYSA-N 394.460 1.499 0 50 GDAA CC1(C)CNC(=O)[C@H]1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 914440422 ANRSKYIVBQYGJA-MRXNPFEDSA-N 399.520 1.963 0 50 GDAA CC1=NN(C(=O)c2n[nH]cc2I)[C@](O)(C(F)(F)F)C1 32488235 QYOZXTYGZPLIST-MRVPVSSYSA-N 388.087 1.487 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 664318 RUYQEPGCOYZEBV-UHFFFAOYSA-N 399.944 1.969 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(N(C)C)nc2C)C1=O 2356163176 QZOKGSFUMPVIMJ-LJQANCHMSA-N 375.473 1.095 0 50 GDAA O=C1NCCN(Cc2ccccc2C(F)(F)F)[C@@H]1CC(=O)N1CCOCC1 55107920 VVDZAUOPYVOKRW-OAHLLOKOSA-N 385.386 1.255 0 50 GDAA CNS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3cc(O)c(C(=O)O)cc32)cc1 65424046 VIIFNOMUDYYPGE-LLVKDONJSA-N 376.390 1.473 0 50 GDAA O=C(c1ccc(O)nn1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 67894926 KJYOOSYYQPYNFO-HNNXBMFYSA-N 387.484 1.121 0 50 GDAA CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCc2nc(COC)nn2C1 469608126 ZVTPIDRZHKPUQZ-SNVBAGLBSA-N 399.373 1.982 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3nccs3)C2=O)c1 67886052 XXIUUIKYCMMVJQ-LJQANCHMSA-N 393.484 1.977 0 50 GDAA O=C(C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)N1CCOCC1 33260397 YDUCCQNFFUFRCK-UHFFFAOYSA-N 392.463 1.867 0 50 GDAA O=c1c2cccnc2cnn1C[C@H](O)COc1ccc(Br)cc1 123031981 PPZRXSPOIVTJPV-LBPRGKRZSA-N 376.210 1.994 0 50 GDAA Cc1cnn(-c2ccc(S(=O)(=O)NC3(C(N)=O)CCCCC3)cc2F)c1 124585676 UAHMWLNQFBQIRV-UHFFFAOYSA-N 380.445 1.786 0 50 GDAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCO[C@@H](C(=O)O)C2)CC1=O 262909964 CLZSJICKHBTVPT-QMTHXVAHSA-N 382.800 1.014 0 50 GDAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(c1noc(-c3ccccc3)n1)C2 220174528 MQHZZOHESMSAOY-MRXNPFEDSA-N 377.408 1.769 0 50 GDAA C[C@@H](NC(=O)N1CCC2(CC1)NC(=N)NC2=O)c1cnn(-c2ccccc2)c1 426370698 WALDIBSCLLZWNS-CYBMUJFWSA-N 381.440 1.132 0 50 GDAA Cc1cc(C)n2nc(CC(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)nc2n1 426604240 FYYSUTVRSYCLBW-SFHVURJKSA-N 378.480 1.799 0 50 GDAA CCn1ccnc1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 95521682 XQIUWVMPVKZVCP-UHFFFAOYSA-N 382.511 1.649 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1 95507654 CXQUXDFWMJDRKU-UHFFFAOYSA-N 380.474 1.345 0 50 GDAA O=C(Cn1nnc(-c2ccccc2)n1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 95384307 QKAQMHXEVWIEJJ-DOTOQJQBSA-N 390.451 1.258 0 50 GDAA CCN1C[C@@H](C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)CC1=O 95384558 XPGJGLAQYPDGLU-KRWDZBQOSA-N 379.464 1.661 0 50 GDAA CCc1nc(CNC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)no1 96137186 FEJCMVNVICQIOU-UHFFFAOYSA-N 389.412 1.191 0 50 GDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCCSC)C2 97361873 PLWVBZRRZZKYFF-OAHLLOKOSA-N 379.574 1.491 0 50 GDAA COc1ccccc1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91462370 GTUXPWNPZIHJDO-QZTJIDSGSA-N 376.497 1.417 0 50 GDAA CCc1nnc(CN(C)C(=O)NCCN2N=C(c3ccccc3)CCC2=O)o1 534658936 PSKCPJQERYXKHG-UHFFFAOYSA-N 384.440 1.800 0 50 GDAA CS(=O)(=O)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1 299786064 QXRDVKMQZRIWPI-UHFFFAOYSA-N 375.376 1.684 0 50 GDAA CO[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)oc1C 824506330 BBLSJTSAGJVLMN-ONGXEEELSA-N 396.343 1.954 0 50 GDAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2ncc(CCO)cn2n1 828773644 YJGZPQKTARLVLK-UHFFFAOYSA-N 376.420 1.422 0 50 GDAA CCCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1=O 670451332 SKSLCUUFRJIQIH-HNNXBMFYSA-N 379.482 1.275 0 50 GDAA CCc1cccc(CNC(=O)C(=O)N2CC(OCc3nnc(C(C)C)o3)C2)c1 1875268600 OWIVALNVELPZLC-UHFFFAOYSA-N 386.452 1.799 0 50 GDAA Cc1nccn1CC(=O)NCC1CCN(S(=O)(=O)c2cccs2)CC1 952963559 HAXYDRSAAVXYFH-UHFFFAOYSA-N 382.511 1.470 0 50 GDAA CCN(Cc1cnn(CC)c1)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 952983395 LLLTVTQMAKFJKX-QGZVFWFLSA-N 382.530 1.151 0 50 GDAA Cc1nccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)CC2)n1 273810309 JFUJRABBKFUAAI-UHFFFAOYSA-N 380.452 1.767 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCCc2cccnc2)cn1 275478855 YQCTUCVWNJFTHU-INIZCTEOSA-N 377.470 1.022 0 50 GDAA CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2ncnn2C)c1 276607583 KZDRTKQIPALRGU-NEPJUHHUSA-N 380.474 1.775 0 50 GDAA CCNC(=O)Nc1cccc(NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)c1C 279138966 BVHURHIZJAXYBL-HXUWFJFHSA-N 386.452 1.996 0 50 GDAA Nc1nnc(S(=O)(=O)Cc2ccc(I)cc2)s1 170617085 LGDAKJNQJJWBJD-UHFFFAOYSA-N 381.220 1.699 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)[C@@H]4CCOc5ccccc54)CC3)ncnc21 170849467 NSGBCCVKGNSKLP-OAHLLOKOSA-N 378.436 1.578 0 50 GDAA CCC[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)N1CCc2sccc2C1 171326327 HYDXRBKYXBXHJC-CQSZACIVSA-N 398.492 1.598 0 50 GDAA CC(C)(C)NC(=O)CN1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 1506419215 XIVAYWLPVYNOJV-WZGNDQMWSA-N 391.556 1.767 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1O 1529113313 DURKNCNXLKSRSZ-FZMZJTMJSA-N 384.395 1.529 0 50 GDAA Cc1nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)nc2c1CCC2 1529101655 JRIVLEVRLSSOFE-UXHICEINSA-N 380.448 1.189 0 50 GDAA CO[C@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@H]1Cc1cc(C)no1 1704350456 JPVDHQFPLFHFOL-QAPCUYQASA-N 382.420 1.409 0 50 GDAA COCC(=O)N1CCC[C@@]2(C(=O)NCc3ccc(F)cc3)CCN(C)C[C@H]12 1775978814 VWJKAOVHJGEBOX-FXAWDEMLSA-N 377.460 1.401 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC[C@H](c2nc(CCC(C)C)nn2CCO)CC1 1772809465 XAPWGNGCDJTAPS-HNNXBMFYSA-N 389.504 1.695 0 50 GDAA O=C(CCc1cnccn1)N1C[C@@H]2CN(C(=O)c3cccs3)C[C@]2(CO)C1 1772704188 RYJOHXAZJUOVSF-KUHUBIRLSA-N 386.477 1.064 0 50 GDAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN1CCC2(CC1)OCCO2 12298755 ULTYXYTZMBDNMN-IBGZPJMESA-N 396.434 1.657 0 50 GDAA COc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc1OC 12427849 JCEQIKSJQWUGLO-UHFFFAOYSA-N 375.410 1.405 0 50 GDAA biogenic,in-vitro Cc1noc(C)c1CO[C@H]1CN(Cc2cc[nH]n2)CC(=O)N(CC(C)C)C1 14541280 ANBVMVJLSLRHSK-KRWDZBQOSA-N 375.473 1.900 0 50 GDAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14747915 JUAGRNYMZDAHFX-ZIAGYGMSSA-N 381.354 1.363 0 50 GDAA CSc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCOCC1 16625483 YXBUECAVAYWCDR-UHFFFAOYSA-N 396.490 1.952 0 50 GDAA Cn1c([C@H]2CCCN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)nc2ccccc21 1857677584 INQBWEFJFYQIQH-LBPRGKRZSA-N 377.412 1.292 0 50 GDAA C[C@]1(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC12CCNCC2 1857691766 CLXCDUASSCCTME-CQSZACIVSA-N 389.447 1.985 0 50 GDAA O=C1CCCN1CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CC3=CCCC3)C2)C1 1857704240 JXCMJASOYIILJE-DENIHFKCSA-N 389.540 1.785 0 50 GDAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c(O)n1 1857716831 GNPBQNQBSFMTQQ-OALUTQOASA-N 399.495 1.897 0 50 GDAA Cc1nc2sccn2c1C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857717268 OVCYCLMAJKTWGU-UHFFFAOYSA-N 384.465 1.733 0 50 GDAA Cn1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)ccc1=O 1857718615 NAFSVWIQISLDRU-OKZBNKHCSA-N 387.867 1.983 0 50 GDAA CCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1Cc1cc(=O)n2nc(CC)sc2n1 1857733498 MIUZNOJQVOSFCQ-NMWPEEMBSA-N 387.509 1.545 0 50 GDAA Cn1cc(Cl)c(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)n1 1875249512 YDRSRPPGQDRYQH-KHYOSLBOSA-N 386.839 1.988 0 50 GDAA Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CCO2)o1 328613156 QXGHAPOPFXYFRL-OAHLLOKOSA-N 392.437 1.267 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3ncsc3c1)C2 248040573 VLBQYCYGDKRMFC-KGLIPLIRSA-N 386.477 1.448 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)CC[C@H]1NS(=O)(=O)c1c(C)noc1C 2100547897 RBEKBCVWGMVPBG-BFHYXJOUSA-N 387.502 1.668 0 50 GDAA CCCc1c(C)nc2nc(=NC(=O)c3cnc(-c4ccncc4)nc3)[nH]n2c1O 2100556903 VEDPRZYKRZMWMG-UHFFFAOYSA-N 390.407 1.617 0 50 GDAA Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)N[C@H]1CCCN2CCSC[C@H]12 2325763282 HPEJCQFZNOXECA-JEBQAFNWSA-N 386.521 1.962 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCC(=O)OC)CC[C@@H]1Nc1cc(C)ncn1 2356152743 YYRRMWGLAFJJNO-JYJNAYRXSA-N 378.473 1.840 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccn3)cc2)CC1 8048340 ZUIYSHRWEMAJOZ-UHFFFAOYSA-N 388.449 1.187 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 53578554 IQDFOPYOCBEASG-UHFFFAOYSA-N 378.498 1.536 0 50 GDAA O=C(O)CCC(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9304734 NCBQQACRYDMYSB-UHFFFAOYSA-N 397.497 1.481 0 50 GDAA CSc1nccc(N2CCC(n3cc(CN4CC[C@H](O)C4)nn3)CC2)n1 23581198 BQRRZRSBTZKMHR-HNNXBMFYSA-N 375.502 1.198 0 50 GDAA CCCCn1c(CN2CCNC(=O)[C@H]2CC)cnc1S(=O)(=O)CC1CCC1 55575789 LYEVJVXXJKEQNL-QGZVFWFLSA-N 396.557 1.967 0 50 GDAA Cc1cccc(Cn2c(=O)c3c(nc4n(CCO)c(C)c(C)n34)n(C)c2=O)c1 10233668 BSZXQWCHJAWDIJ-UHFFFAOYSA-N 381.436 1.115 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)Nc3cc(F)ccc3C)nn2)CN1 67447209 XULXVCRGDWPMEV-HOCLYGCPSA-N 389.435 1.039 0 50 GDAA CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 850155 PVLNDSRCHYMNSH-HXUWFJFHSA-N 386.404 1.867 0 50 GDAA biogenic CCCCn1c(O)nc(=O)c2c1nc(CN1C[C@@H]3C[C@H]4C[C@H]3[C@H]1[C@@H]4O)n2CC 253598040 WIRQXLIIJWCPIW-UOZBHZCFSA-N 387.484 1.320 0 50 GDAA O=C(c1cccs1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71771009 FTLBLDITIMUGBN-INIZCTEOSA-N 391.537 1.924 0 50 GDAA C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)N1CCN(C)CC1 363117967 OYHIGKAYCRJZDI-AZUAARDMSA-N 386.540 1.220 0 50 GDAA CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C(C)C)c3ccccc3C2)nn1 377415656 CSENSZPZRYOVMJ-RTBURBONSA-N 385.468 1.735 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 72162438 DRFHRTXJYYXYBK-GOSISDBHSA-N 380.514 1.830 0 50 GDAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCNC(=O)c1cccnc1 371651196 YPEWTIZNEZGUBO-VQIMIIECSA-N 396.495 1.416 0 50 GDAA Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 378603412 CULBJBOZUHEAIL-MRXNPFEDSA-N 396.403 1.512 0 50 GDAA O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1C[C@@H](O)CN1 238016584 XMAKTSOPPKZYER-UXHICEINSA-N 376.460 1.937 0 50 GDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccnc2)cc(OC)c1 20515601 BCVXGWVZXBZISV-IBGZPJMESA-N 398.463 1.106 0 50 GDAA Cc1ccc2ncc(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)c(O)c2c1 287910313 PPMJIEIOZPCYRB-ORAYPTAESA-N 390.461 1.715 0 50 GDAA COc1cc(CCNC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)cc(OC)c1 426518717 GDZQJRRFDVDSNZ-LJQANCHMSA-N 377.441 1.920 0 50 GDAA Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)n[nH]1 20999919 JZLAWVVSHWXXNW-KRWDZBQOSA-N 391.422 1.345 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC[C@H](C(=O)O)C1 236733904 XMNJYWVYPHSFBG-YVEFUNNKSA-N 375.400 1.677 0 50 GDAA CCc1n[nH]c(SCC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1 91906471 NBAKYFPUQZLVPH-SFHVURJKSA-N 377.514 1.710 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)c(O)c1)CC2 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C[C@@H]1CN(c2nccc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)n2)C[C@H]1O 1875313926 YAJLENQWUPGXSN-UKRRQHHQSA-N 377.489 1.597 0 50 GDAA CC(C)CN1CCC[C@@H](C(=O)NC[C@@H](N=c2nc[nH]n3cccc23)C2CC2)C1 1875327065 XSQAXPLFXGBESO-QZTJIDSGSA-N 384.528 1.826 0 50 GDAA CCOc1nc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(C)o4)[nH]n3)CC2)co1 1875341665 BLHWKKPUNLWWJO-UHFFFAOYSA-N 399.407 1.963 0 50 GDAA CN1Cc2nncn2C[C@H]1c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 952895918 XYSKVWKAGKGHPP-HNNXBMFYSA-N 395.423 1.172 0 50 GDAA Cn1c(O)ncc(C(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)c1=O 952895331 UETMEZHOXXPKFN-HNNXBMFYSA-N 399.329 1.093 0 50 GDAA CCCn1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3cccnc3O)C2)c(C)n1 952987965 HSBUQVSMPOUABB-HNNXBMFYSA-N 385.468 1.984 0 50 GDAA CCN(CCc1nc2cccc(C)c2[nH]1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952867407 MWZZVGFJRVFDQF-CYBMUJFWSA-N 385.511 1.253 0 50 GDAA CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cn(CC(C)C)nc1C(F)F 888101823 HTHAMVPRSOHGIT-MNOVXSKESA-N 380.417 1.410 0 50 GDAA CC(C)CS(=O)(=O)N1CCC(Nc2ccc3nnc(C(F)F)n3n2)CC1 272014637 NZGSXIFGPHMTGT-UHFFFAOYSA-N 388.444 1.924 0 50 GDAA COc1cccc(CN2C[C@H](NC(=O)CSC)C[C@H]2C(=O)NC(C)C)c1 96162361 AAKXOQOGTUGKFP-WBVHZDCISA-N 379.526 1.642 0 50 GDAA CC(C)Cn1ncnc1CN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1 276111399 XCCJXNCTBMWTEI-KRWDZBQOSA-N 387.532 1.869 0 50 GDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704336768 NIKUCFVBTNJURG-YVEFUNNKSA-N 397.472 1.181 0 50 GDAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cnc(C(N)=O)cn2)cc1 1772705175 FTQBEBOHWVGMTP-MRXNPFEDSA-N 384.436 1.448 0 50 GDAA Cc1nc(N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c2ccsc2n1 1772711147 WZTOGBOBVYWKHZ-UHFFFAOYSA-N 397.526 1.089 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)cn23)n(C)c1=O 12374109 GGRHQAWNLOKTOI-UHFFFAOYSA-N 383.408 1.102 0 50 GDAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)Cn4nnnc4N)C3)C2)cc1 12386995 NPCGMLQBDFAHOO-OAQYLSRUSA-N 397.527 1.893 0 50 GDAA O=C(O)c1n[nH]c2c1CN(C(=O)CCc1nc(-c3ccccc3F)no1)CC2 1857678547 MVLNUXBEHBTXNH-UHFFFAOYSA-N 385.355 1.815 0 50 GDAA COc1ccc(CNC(=O)[C@H]2CC[C@@H](OC)[C@H](N=c3cc[nH]c(=N)[nH]3)C2)cc1 1857702146 BJCBGBNOJICSRI-USXIJHARSA-N 385.468 1.232 0 50 GDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cccc(-n2cnnc2)n1 1857718857 WNPZGGYWJFOHSJ-ZIFCJYIRSA-N 390.447 1.607 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ncccc2OCCN)[C@H]1c1ccccc1 1857734185 NACFMPLBMNCIIA-ICSRJNTNSA-N 384.480 1.563 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2cc(N[C@@H]3CCCO[C@@H]3C(C)C)ncn2)C1 328632619 LLRQPVDOVNHTFU-IIDMSEBBSA-N 397.545 1.610 0 50 GDAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)NC[C@@H]4COCCO4)C3)nc2c1 12029603 YHQFADFCAUWNSJ-DLBZAZTESA-N 384.480 1.995 0 50 GDAA CCCCc1ccc(-n2nnc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 12274101 FUDBWIDTZNRYJJ-OAHLLOKOSA-N 376.482 1.835 0 50 GDAA O=C(c1ccc(O)cc1)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 131050842 WJUFGRZAWIFDGJ-UHFFFAOYSA-N 378.432 1.629 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 363795440 ZAJFKLMHVGTKHJ-QZTJIDSGSA-N 389.496 1.575 0 50 GDAA CO[C@@]1(CNC(=O)C[C@@H]2CN(Cc3cc(C)no3)C3(CCC3)CO2)CCOC1 2325785194 JDDQUWWKECKUAJ-OXQOHEQNSA-N 393.484 1.418 0 50 GDAA CC[C@@H](OC)C(=O)N1CCOC2(CCS(=O)(=NC(=O)c3cnco3)CC2)C1 2325785217 KJPBDEGHTBPIAC-LUHCGVFFSA-N 399.469 1.099 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccc(-n2cccn2)nc1 2325785527 CHWIJIVNIVSGHG-DAXOMENPSA-N 386.843 1.687 0 50 GDAA CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C(N)=O)c1C 2922562 GDEAVUWMZTUVRB-VHSXEESVSA-N 380.422 1.938 0 50 GDAA Cc1nc(CN2CCCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)no1 110946410 MNIIKVVIUIFONI-UHFFFAOYSA-N 380.452 1.841 0 50 GDAA COc1ccc(COCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cc1 225508417 NNWDSBDYHYJLDD-LEWJYISDSA-N 398.459 1.927 0 50 GDAA O=C(O)CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC2(F)F)cc1 414342411 WXCFNMMWHHEWCI-LLVKDONJSA-N 376.381 1.215 0 50 GDAA CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 55327632 HAGMJDABTLYMIR-MRXNPFEDSA-N 383.439 1.587 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 20138174 VSXFOQGWDMFWIP-MRXNPFEDSA-N 395.525 1.633 0 50 GDAA COCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCn2cncn2)s1 20448965 CIWAZJVLIGRBCX-ZDUSSCGKSA-N 377.470 1.470 0 50 GDAA Cn1cc(NC(=O)c2cccc(CN3CCN(C[C@H]4CCCO4)CC3)c2)cn1 67674663 OXMPCYLZNZJEHW-HXUWFJFHSA-N 383.496 1.969 0 50 GDAA Cc1cnccc1CNC(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 12449251 BCPUNDZYPPRYGU-HXUWFJFHSA-N 378.476 1.364 0 50 GDAA COc1cc(CN2CC3(CCN(C(C)=O)CC3)C[C@@H]2C(=O)O)cc(OC)c1 72447608 DBEGZDWVFYSJQM-GOSISDBHSA-N 376.453 1.991 0 50 GDAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 328631875 RMEAUDXCDPXPAW-AWEZNQCLSA-N 396.490 1.636 0 50 GDAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2cnc3c(c2)c(C)nn3C)CC(=O)N1C 328628714 NYWPXPDGAOSVKP-OXJNMPFZSA-N 395.511 1.936 0 50 GDAA CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)C2)CC1 175862383 SVZLSKPXYWLVJQ-YJBOKZPZSA-N 376.549 1.389 0 50 GDAA CC(C)c1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)CC2=O)cc1 71575493 OGCABNYDJRMQLF-NDLGOLERSA-N 386.492 1.753 0 50 GDAA O=C(O)CCCOc1ccc(CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1 374174351 QQFZYDYWGBSYDV-INIZCTEOSA-N 395.477 1.761 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)C1=O 242284687 YIYMBEADMLKBBT-ACJLOTCBSA-N 394.497 1.481 0 50 GDAA O=C(OC[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1)N1CCOCC1 376431664 ACDNSHZDYIGYJN-SFHVURJKSA-N 379.501 1.711 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)Cc3ccccc3)CC2)C1 71762116 RPFRZYQAHADCSS-IBGZPJMESA-N 387.524 1.695 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccccn1 72167841 PXDXTFTXRUOFDO-FNQPIQQGSA-N 394.475 1.610 0 50 GDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nccn1C)C2 72122601 TXDFNODUILKCBE-DBXWQHBBSA-N 390.528 1.676 0 50 GDAA Cc1ccc(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)c(F)c1F 221330360 MZXXDKWQTCGCAF-MRXNPFEDSA-N 378.423 1.997 0 50 GDAA COc1cc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc(OC)c1 40268530 YLPDXQLQYUXRBW-UHFFFAOYSA-N 383.408 1.702 0 50 GDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 426653074 ZCKMMHNQAVNMTA-ZDUSSCGKSA-N 380.408 1.773 0 50 GDAA CCCN1CCC[C@]2(CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)C1=O 91779154 HQPNHNZOBWOCMY-JOCHJYFZSA-N 396.491 1.956 0 50 GDAA Cc1ccn(CCC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95391993 PBKVXOXILUFHPC-INIZCTEOSA-N 382.472 1.361 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(F)c1)CC2 95527823 RYECOYPJHNUXIF-UHFFFAOYSA-N 386.427 1.711 0 50 GDAA O=C(CCCn1cncn1)N[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1C1CC1 95367316 BKMOCGHDGSVCQE-AEFFLSMTSA-N 385.443 1.864 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)oc2C)CN1Cc1nccs1 96148124 XWCKOHYXZKWDSD-ZFWWWQNUSA-N 376.482 1.862 0 50 GDAA O=S1(=O)CCC(c2nc(Cn3cncn3)nn2-c2ccccc2F)CC1 96153682 NHGMYVRLFASTLV-UHFFFAOYSA-N 376.417 1.338 0 50 GDAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1nc[nH]n1 95499404 CYCSWQFZKLXDNY-INIZCTEOSA-N 383.496 1.773 0 50 GDAA CCCn1nccc1S(=O)(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91745365 ABLYDFDGHUGGLB-SFHVURJKSA-N 380.514 1.706 0 50 GDAA CC(=O)N1C[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3)C[C@@]2(C(=O)O)C1 96139825 JLKGTMWEFJOCJF-BBRMVZONSA-N 386.857 1.035 0 50 GDAA CC(C)[C@H](O)C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91757689 OXOIQUDDWRDGLH-SFHVURJKSA-N 376.501 1.521 0 50 GDAA CCc1ccccc1OCCN1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 95365538 JKFIJROUTPQGMS-IEBWSBKVSA-N 382.526 1.346 0 50 GDAA CC(C)c1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)n(C)n1 91712997 XVQMSFNEGWWZSE-YYIAUSFCSA-N 378.517 1.333 0 50 GDAA Cn1cnn(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=O 181311785 CZLDXSCKPHZNGD-CYBMUJFWSA-N 386.387 1.177 0 50 GDAA Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](C)c3ncc(C)s3)C2=O)n(C)n1 184464636 UBIPVABROAQMPC-ZWNOBZJWSA-N 376.486 1.702 0 50 GDAA O=C(CN1Cc2ccccc2C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 36575512 GUPDNGGAZSGPES-GOSISDBHSA-N 377.400 1.936 0 50 GDAA biogenic COc1ccc(S(=O)(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1Cl 298832975 XPTLCBVCRHXDPN-LLVKDONJSA-N 381.903 1.794 0 50 GDAA CN1CCc2c(CNC(=O)[C@@H]3CCOC(C)(C)C3)c3c(c(O)c2C1=O)OCO3 827763395 YJIVZENHCYJWTC-LLVKDONJSA-N 390.436 1.570 0 50 GDAA biogenic Cn1ccc(Nc2nnc([C@@H]3CCN3S(C)(=O)=O)n2Cc2cccs2)n1 952895065 RLUAZSFOKHMQGV-LBPRGKRZSA-N 393.498 1.571 0 50 GDAA CN(C(=O)c1cnc2c(cnn2C)c1)C1CC(NC(=O)c2conc2C2CC2)C1 1875333615 DSNRPYPWLXSGDT-UHFFFAOYSA-N 394.435 1.867 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1cc(C)no1 1875313445 QRARHOISWUEZAB-UHFFFAOYSA-N 388.829 1.709 0 50 GDAA O=C(Cc1cc(O)nc(O)n1)N1CCOC[C@H]1c1ccc(Br)cc1 1875314136 JDURGTFDIWCIOP-ZDUSSCGKSA-N 394.225 1.793 0 50 GDAA CCCCCOC(=O)N[C@@H](Cc1ccc(O)c(S(C)(=O)=O)c1F)C(=O)O 1875339434 JOHPMPHKVHSHFV-NSHDSACASA-N 391.417 1.847 0 50 GDAA O=C(N[C@@H]1CCCc2c(O)cccc21)N1CCC(N2CCCS2(=O)=O)CC1 886072164 YSCFFZPLMHQWJP-QGZVFWFLSA-N 393.509 1.979 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1 275308943 NRHVKAGELDFROQ-AWEZNQCLSA-N 381.410 1.165 0 50 GDAA COc1ccc(CN2CCC(NS(=O)(=O)C[C@H]3CCCO3)CC2)cc1F 170666041 BXFCXGJCFKHVNG-MRXNPFEDSA-N 386.489 1.897 0 50 GDAA Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 763209756 QEKQFHJTCKPGOM-GFCCVEGCSA-N 390.820 1.800 0 50 GDAA Cc1cc(N2CCN(C(=O)NCCC(=O)O)CC2)nc(-c2ccccc2O)n1 1506406062 MIKLVGDSCKDJBL-UHFFFAOYSA-N 385.424 1.464 0 50 GDAA O=C1NCCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 1529100726 XWSSTWYNVOEYIG-CYBMUJFWSA-N 381.835 1.680 0 50 GDAA O=C(CCc1cnccn1)N1C[C@H]2CN(C(=O)c3cccs3)C[C@]2(CO)C1 1772704190 RYJOHXAZJUOVSF-LIRRHRJNSA-N 386.477 1.064 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1Cc1ccccc1F 11935197 CTSFVKIYCJBZGU-HNNXBMFYSA-N 381.473 1.821 0 50 GDAA Cc1ncn(C)c1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857715093 BAGPUKLLGOLCNK-HKUYNNGSSA-N 386.500 1.530 0 50 GDAA O=C(c1nnc2n1CCCC2)N1CCC[C@@](O)(CN2CCc3ccccc3C2)C1 1857722242 SRPSOZKSIVYIII-JOCHJYFZSA-N 395.507 1.640 0 50 GDAA Cc1cc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c2ncccc2c1 1857722291 GFDHEDWKQNQRCO-APWZRJJASA-N 387.461 1.655 0 50 GDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(OC)cc3)C[C@]23CC[C@H]1O3 1875241356 BHSIJRCFHMXOEO-WJFTUGDTSA-N 380.510 1.614 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 262964453 KRUGXYJSXUJQFR-GWCFXTLKSA-N 387.219 1.658 0 50 GDAA O=C1C[C@H](CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1 2325763529 AIJKJHZIQAMFTH-NOZJJQNGSA-N 398.246 1.976 0 50 GDAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1Cc2cc(F)ccc2O1 151549793 SQZMJBXPWJCUDV-GTNSWQLSSA-N 378.425 1.996 0 50 GDAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCN(c2cnccn2)CC1 2356143589 OGZYMKZGRFJFKP-UHFFFAOYSA-N 399.520 1.652 0 50 GDAA COC(=O)CCNC(=O)[C@H]1C[C@@](C)(C(=O)OC)N(C)[C@H]1c1ccccc1C 55360235 FECZIZAEBGQVOS-KNBMTAEXSA-N 376.453 1.599 0 50 GDAA Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 67602150 UEOWZCPFDVQECZ-HOTGVXAUSA-N 383.514 1.397 0 50 GDAA Cc1cccc(C(=O)NCCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 117591504 YIMIURAIXFCORX-CQSZACIVSA-N 379.416 1.526 0 50 GDAA COc1cccc(CCCNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 67423184 DFFIDZOWENRGHF-UHFFFAOYSA-N 376.501 1.480 0 50 GDAA Cn1cc(CCNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)cn1 253417942 HVEZZVQRIHGMBF-UHFFFAOYSA-N 398.554 1.707 0 50 GDAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 328626376 LQLZMSPQFHUTGW-IRXDYDNUSA-N 395.529 1.286 0 50 GDAA O=C(c1cnn2c1C[C@@H](CNc1cnc3ccccc3n1)CC2)N1CCOCC1 328602298 AYYFFNCKMOBKFZ-HNNXBMFYSA-N 392.463 1.973 0 50 GDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77471824 HMVNLRVHJNBLEN-OOSNJVJTSA-N 396.422 1.489 0 50 GDAA O=C(O)c1cc(-c2cccc(CO)c2)cc(S(=O)(=O)N2CCOCC2)c1 71662333 RKWBVCAOVZICBU-UHFFFAOYSA-N 377.418 1.565 0 50 GDAA COc1ccccc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 72436945 HADUFTFJXALPML-UHFFFAOYSA-N 396.495 1.199 0 50 GDAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCO[C@]2(CNCCOC2)C1 72143766 BANSKQNLVPSYEX-HXUWFJFHSA-N 388.489 1.733 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@H](C)N3CCN(C)CC3)c12 72408445 NIJLORRNYZLJRR-AWEZNQCLSA-N 380.500 1.782 0 50 GDAA COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)NCCCO)c2=O)cc1 77337153 MXCJHWCRNMCGBR-UHFFFAOYSA-N 382.420 1.208 0 50 GDAA O=C(Cc1cccc(F)c1)NCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F 376340268 KCFNITBAUKJSIJ-IBGZPJMESA-N 387.386 1.323 0 50 GDAA O=C(Nc1cnc2c(c1)COCC2)NC1CCN(S(=O)(=O)C2CC2)CC1 378514962 GCLLWYGVECHTJT-UHFFFAOYSA-N 380.470 1.232 0 50 GDAA C[C@@H](O)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77378838 RCLHXBUICITDQV-GFCCVEGCSA-N 395.506 1.229 0 50 GDAA O=C(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O 71769242 XIWUCGDJFPMKAA-UHFFFAOYSA-N 376.368 1.928 0 50 GDAA NC1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71750396 NTCSUCMGXAUHDD-LJQANCHMSA-N 385.556 1.708 0 50 GDAA CC[C@H](O)c1cc2n(n1)CCN(Cc1ccc(OC)c(Cn3cncn3)c1)C2 222263398 UCQGKDIATDFEDQ-IBGZPJMESA-N 382.468 1.991 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)NCCn3ccnc3)CC2)n1 426498346 ALLJBTDYAMQEJN-UHFFFAOYSA-N 383.378 1.532 0 50 GDAA Cc1cc(C)cc(CN2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2=O)c1 426473764 YTXQWFSJSUBGQA-QGZVFWFLSA-N 381.480 2.028 0 50 GDAA Nc1nc(CC(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)cc(=O)[nH]1 91846313 AWZBMHVAGNTFHN-HNNXBMFYSA-N 376.420 1.545 0 50 GDAA O=C(Cc1cccc(Cl)c1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 92004392 JKYWWENUHFOHSV-QZTJIDSGSA-N 380.916 1.654 0 50 GDAA CN1CCN(C(=O)COc2ccc(F)c(Cl)c2)C[C@]12CCNC(=O)CC2 95380253 AEMFDBGRDPLTEP-SFHVURJKSA-N 383.851 1.671 0 50 GDAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(OC)c1OC(F)F)CC2 268197064 IPOVJXSQKFZVDB-JTQLQIEISA-N 382.367 1.779 0 50 GDAA Cc1nnc2n1[C@@H](C)CN(C(=O)CCCn1nnc(-c3ccc(F)cc3)n1)C2 96139975 AZEMEOXIFWOPDY-LBPRGKRZSA-N 384.419 1.763 0 50 GDAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c[nH]c2c(F)cccc2c1=O 97499691 WFOWNGBBNGHJNK-ZDUSSCGKSA-N 388.443 1.340 0 50 GDAA CNC(=O)c1cccnc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95355896 PZOMZLAJBABHDF-CQSZACIVSA-N 380.456 1.199 0 50 GDAA CCc1nc2ccccc2n1C1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 180965148 IMTWZPDATBDKJY-UHFFFAOYSA-N 397.523 1.926 0 50 GDAA O=C(CN1C[C@H](c2ccccc2)CC1=O)NCCCn1nnc2ccccc21 96151053 TXUONZSVSANOTD-QGZVFWFLSA-N 377.448 1.954 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCC2)CN1Cc1ccc(OC)c(F)c1 95382713 LJDCNFOQKMUGQX-WBVHZDCISA-N 377.460 1.830 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 95518199 NHPABNRQGBVPPB-OAHLLOKOSA-N 378.436 1.574 0 50 GDAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccs1 239174067 PFDVRSTVNZKSGL-BTHOMQSPSA-N 385.441 1.917 0 50 GDAA C[C@H]1C[C@]2(CO)O[C@@H]2C[C@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357344 NOAXTBKBXYRAED-MRCMABGASA-N 383.510 1.529 0 50 GDAA COc1cc2nc(C)n(CC(=O)N[C@H](CO)c3ccccc3)c(=O)c2cc1OC 253398447 CDQUUYCRWTXASV-QGZVFWFLSA-N 397.431 1.572 0 50 GDAA biogenic Cc1c(N)ncnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299785278 ZIMXZTJTFVRTIJ-QGZVFWFLSA-N 388.516 1.129 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3nc(O)[nH]c3c2)o1 827801688 DOIFUIUUEGJXSO-QGZVFWFLSA-N 397.435 1.177 0 50 GDAA Cc1cc(C)n(CCN(C)C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)n1 584897978 FTTOJFNLQZSBRX-MRXNPFEDSA-N 385.534 1.346 0 50 GDAA Cc1nc2c([nH]1)CN(C(=O)N[C@H]1CN(C)S(=O)(=O)c3ccsc31)CC2 584899739 WLBFCKMIKJTAOT-LBPRGKRZSA-N 381.483 1.223 0 50 GDAA CCc1noc([C@H](C)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)n1 670451515 KBIJGSYFGBRRHV-JTQLQIEISA-N 380.426 1.417 0 50 GDAA Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)c(C)n1 871462184 PFILDOLTNBNAIM-QGZVFWFLSA-N 382.464 1.981 0 50 GDAA Cc1cc2ccc(C(=O)NC[C@@H]3CN(C(=O)Cn4cnnn4)CC[C@@H]3C)cn2c1 1875310143 GDPQWNPGVQJITM-DOTOQJQBSA-N 395.467 1.149 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)c2ccc(-c3ncon3)cc2)C1 1875389721 ZFIUMWSZZVGIAC-UHFFFAOYSA-N 379.376 1.766 0 50 GDAA CN(C)S(=O)(=O)CCNC(=O)c1ccc(CSc2ccccn2)cc1 952967773 LYTLVALPQRLNGV-UHFFFAOYSA-N 379.507 1.995 0 50 GDAA COCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OC 952965077 RTKKEXPQWPIDFP-UHFFFAOYSA-N 385.376 1.863 0 50 GDAA COc1cnc(N2CCC3(CC2)CN(C(=O)Cc2cccnc2)CCO3)nc1 952964734 NFMMBXQYESXRJR-UHFFFAOYSA-N 383.452 1.321 0 50 GDAA CCc1onc(C)c1NC(=O)N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@@H]3C2)C1 886027699 FOPFKYGMXPKHHY-RBSFLKMASA-N 375.473 1.895 0 50 GDAA Cn1cncc1[C@@H]1CN(C(=O)c2cnn(C3CC3)c2)C[C@H]1CNC(=O)C1(C)CC1 1775962779 FOKDNBXNXHKEFA-RHSMWYFYSA-N 396.495 1.724 0 50 GDAA Cn1nccc1CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1c(Cl)cnn1C)CC2 1775990326 FVFYLASIFOWBMX-KDOFPFPSSA-N 390.875 1.303 0 50 GDAA CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 390832776 NUVKJMRUFDFLTE-CRAIPNDOSA-N 387.484 1.783 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CCNS(C)(=O)=O)CC2 276432823 LVZUVBAORWJIFN-INIZCTEOSA-N 385.555 1.500 0 50 GDAA COCn1nc(C)c(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)c1C 170596547 JUBNAYBMZMKKFV-UHFFFAOYSA-N 380.405 1.624 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 1704327785 GKJMAOWAWRKPMG-GXFFZTMASA-N 381.281 1.630 0 50 GDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC3(CC1)OCCc1ccsc13)CC2 1704299403 PFEAWPCISOEFJD-AWEZNQCLSA-N 388.493 1.296 0 50 GDAA O=C(O)c1coc(CN2C[C@H]3CN(Cc4ccc5c(c4)CCO5)C[C@]3(CO)C2)n1 1772806801 FLKIZEJUGFCILX-IIBYNOLFSA-N 399.447 1.234 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)NCCc2ccccc2)CC1 11947293 UOCHGKKVWHWILX-UHFFFAOYSA-N 381.480 1.792 0 50 GDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O 14749389 YERQILTULQFOGK-IHRRRGAJSA-N 394.269 1.303 0 50 GDAA COc1cccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)c1 169775980 TYGNFGQACIOBPN-UHFFFAOYSA-N 378.392 1.955 0 50 GDAA OC[C@H](Cn1cnc2c(N3C[C@H]4C[C@@H](O)CC[C@H]4C3)ncnc21)[C@H]1CCOC1 1857527874 QFVQXTQPHJULGE-KSWRQPAISA-N 387.484 1.069 0 50 GDAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1nccn1C1CC1)CCO2 1857675680 GXMPJFUHQRVULD-UHFFFAOYSA-N 389.500 1.921 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCC2(CC1)Nc1ccccc1NC2=O 1857720936 QWQCQFZBANMNDY-UHFFFAOYSA-N 380.452 1.068 0 50 GDAA CC(=O)N1CCC[C@]2(CCc3c2nc(C2CC2)[nH]c3=NCCc2nncn2C)C1 1875248188 BVPZWXBSQYJUNB-NRFANRHFSA-N 395.511 1.385 0 50 GDAA COc1ccc(CN2CCCN(S(=O)(=O)c3c(Cl)cnn3C)CC2)cc1 225479828 WVSAGKVJKCTEBJ-UHFFFAOYSA-N 398.916 1.979 0 50 GDAA Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CCO2)c1 112064651 YHHQMLSZDNVSRU-LJQANCHMSA-N 382.464 1.788 0 50 GDAA NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 856136670 NTYIGLZPWZNGEX-GWCFXTLKSA-N 396.296 1.059 0 50 GDAA O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 96901149 HCDXVMSPZKAKIN-QGZVFWFLSA-N 395.415 1.575 0 50 GDAA O=C(O)C[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 2325778159 FJWLADDIEJVDPE-IAGOWNOFSA-N 394.493 1.552 0 50 GDAA CN1CC[C@@H](N2CCC3(CC2)CO[C@@H](CNC(=O)C2(C)CC(F)(F)C2)C3)C1=O 2325793178 JXSOEHPIWJDOCC-HUUCEWRRSA-N 399.482 1.640 0 50 GDAA CCOC(=O)c1cc(CS(=O)(=O)N2CCN(C)c3cc(C)ccc32)no1 2325803919 KAHNLNCDSNDWLP-UHFFFAOYSA-N 379.438 1.946 0 50 GDAA CCN1C[C@H]2C[C@@H]1CN2C(=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 2325806864 LRDOCEPZXUDYAO-RRFJBIMHSA-N 385.447 1.137 0 50 GDAA CCCN1C[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCC1=O 2356137071 QLRYAHPHBYUGAK-SFHVURJKSA-N 395.507 1.902 0 50 GDAA CCOC(=O)C1=C(C)OC(=O)[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F 2484652 ACVVLRWBGFCGIF-AWEZNQCLSA-N 393.339 1.660 0 50 GDAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccnnc2)CCCN1 2356160392 QCWGRULYTVKHLF-IBGZPJMESA-N 381.480 1.940 0 50 GDAA CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 4225855 ZGOOOJUBRNRWOS-UHFFFAOYSA-N 398.511 1.544 0 50 GDAA CCn1cnnc1CN(C)C(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 67872709 GGEGOAKUYWOALE-KRWDZBQOSA-N 384.440 1.593 0 50 GDAA O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1506417318 PLYDYHHUXSFVNH-NXHKRRBXSA-N 376.472 1.943 0 50 GDAA COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccccn1)S(C)(=O)=O 67338677 ASBWQISHHVAEEY-AWEZNQCLSA-N 377.466 1.870 0 50 GDAA CN1C(=O)[C@H](CC(=O)NCc2cccnc2N2CCCCCCC2)N(C)C1=O 67850457 RVEYFGPQYLDEKA-INIZCTEOSA-N 387.484 1.751 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(CCN3CCCc4ccccc43)C2=O)nn1 328611609 LZLQPBNFAWRXIU-QGZVFWFLSA-N 398.467 1.045 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)CC1 64151940 IRWKAPXRIKZAIC-INIZCTEOSA-N 386.496 1.074 0 50 GDAA CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1 283355320 BPUVQJDEMMDXQL-OAHLLOKOSA-N 379.482 1.057 0 50 GDAA Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 363229121 ALCHFYDSNOZETE-UHFFFAOYSA-N 386.452 1.046 0 50 GDAA NC(=O)[C@H]1CC(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)=NN1c1ccccc1 363408812 VMEIEKYRMSNLEE-NVXWUHKLSA-N 382.424 1.121 0 50 GDAA CCOCc1cc(CN2CCN(CC)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1OC 77343181 VIUOSSLRZBKWJK-MSOLQXFVSA-N 382.526 1.535 0 50 GDAA CC(C)c1nc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)no1 71576159 UGFTUJJOFRRLRT-WOJBJXKFSA-N 399.539 1.993 0 50 GDAA O=C1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]([C@H]2CCCO2)N1 378041692 FUXCILMQMOVJFB-RCLSDMTESA-N 385.508 1.841 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 262684947 CTKYOEVBFXRHKA-LBPRGKRZSA-N 390.255 1.440 0 50 GDAA COc1ncccc1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71765162 DMCROLMFZZWPHP-HNNXBMFYSA-N 386.496 1.685 0 50 GDAA Cc1nc2ccccc2n1CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 194708269 DCEHRZIKIYSXEL-UHFFFAOYSA-N 378.436 1.187 0 50 GDAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCCCCCC1)C2 221190248 GOBNFWIMDWQFPH-LJQANCHMSA-N 377.533 1.477 0 50 GDAA COc1ccc(NC(=O)NCCc2c(C)n[nH]c2C)cc1NS(C)(=O)=O 426395937 KDMNJTOLJUKXDG-UHFFFAOYSA-N 381.458 1.771 0 50 GDAA Cc1nc(CN2CCN(c3ncnc4c3Cc3ccccc3OC4)CC2)no1 95520503 ILGZKAMOOPAQJG-UHFFFAOYSA-N 378.436 1.973 0 50 GDAA Cc1ncc(S(C)(=O)=O)c(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n1 95366370 VWPULIPKUKQXSO-HNNXBMFYSA-N 376.482 1.971 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(CC(=O)Nc1cnn(C)c1C)CC2 92028438 PDLXYEXHSNUSMS-UHFFFAOYSA-N 391.516 1.408 0 50 GDAA CN(C)c1cc2c(cc1NC(=O)NCCNc1cccnc1)n(C)c(=O)n2C 96151654 PRFUJGYGIMRDAJ-UHFFFAOYSA-N 383.456 1.572 0 50 GDAA COc1ccc(CN2CCc3n[nH]cc3C2)cc1OC[C@H](O)CN1CCCC1 95520325 HGNZWCCMSLHXNP-GOSISDBHSA-N 386.496 1.812 0 50 GDAA NC(=O)CN1CCC[C@@H](C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 91380911 CUCXCRMYOCDCQH-CYBMUJFWSA-N 376.457 1.763 0 50 GDAA CC(=O)c1c(C)nn(Cc2nc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1C 96151270 KPGVCINNOCIUSR-CQSZACIVSA-N 377.470 1.579 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 238937275 UWACIRVCEMTNJJ-ZQIUZPCESA-N 399.447 1.984 0 50 GDAA O=C1NC[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)N1 91914699 BHUHWOKFDJIKOE-KRWDZBQOSA-N 384.480 1.142 0 50 GDAA COCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)C1 95359341 MEEJDZCSOGXSNX-SJORKVTESA-N 381.436 1.152 0 50 GDAA Cc1cc(C)nc(N2CCN(C(=O)c3ccc4c(c3)ncn4CCO)CC2)n1 97657188 OPXFBCVJRVZLCW-UHFFFAOYSA-N 380.452 1.398 0 50 GDAA O=C(O)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 299746683 ZCLMFSFHCQKHAQ-CMPLNLGQSA-N 390.255 1.516 0 50 GDAA CC(C)Cc1noc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 534631786 BNMNMKXBVKVKJA-MRXNPFEDSA-N 375.404 1.790 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 368860048 SRTBDCJTTQYFJJ-INIZCTEOSA-N 394.479 1.141 0 50 GDAA CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](CCC(=O)O)Cc2ccccc2)C1 263291247 VIIVWKHCADPBMI-HOTGVXAUSA-N 376.457 1.566 0 50 GDAA COc1ccc(NC(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1Cl 1940193459 RVQIKIRBIGGBPQ-AAEUAGOBSA-N 383.832 1.598 0 50 GDAA Cc1n[nH]c(C)c1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55183170 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Cc1nc(C(=O)N2CCN(c3cccc(F)c3)CC2)nc(N2CC[C@@H](N)C2)c1C 1875401668 OIMKXOFKRADAIX-QGZVFWFLSA-N 398.486 1.732 0 50 GDAA O=C(Nc1cnc2ccccn12)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1339077391 ITCPYQIOWHOKDC-GOEBONIOSA-N 382.395 1.616 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)n(C)n1 277485944 CGRVVWBOTKZMDM-MRXNPFEDSA-N 380.456 1.167 0 50 GDAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(OCC(F)F)ccn2)cn1 278532270 DMKAXTUDSASSOX-PTFIGZPYSA-N 384.408 1.405 0 50 GDAA CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cn(C)nc1-c1cnn(C)c1 170602131 UOWCOPUNLJJFCU-UHFFFAOYSA-N 396.451 1.930 0 50 GDAA CCOC(=O)C1CCN(C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 170607853 OTLGLNZQXXIPPZ-ZDUSSCGKSA-N 383.445 1.458 0 50 GDAA Cc1c(C(=O)N(C)CC2(O)CCOCC2)nnn1-c1cccc2cnccc12 188031203 WTXARQBKTZRUBW-UHFFFAOYSA-N 381.436 1.737 0 50 GDAA O[C@@H]1CCCN(c2ccnc(N3CCN(c4ncnc5ccccc45)CC3)n2)C1 1529186419 YPOIAWQCHSCSEB-MRXNPFEDSA-N 391.479 1.708 0 50 GDAA Cc1ccccc1CNC(=O)CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704309187 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O=C(c1cccnc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857736457 PTBJDHVCWVVHQG-UHFFFAOYSA-N 395.463 1.534 0 50 GDAA CCN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 19339742 GLZYBHOBJMYIPS-IBGZPJMESA-N 378.561 1.702 0 50 GDAA O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1OCCc2ccccc21 158470590 DERLBGQNRXJAIH-QFIPXVFZSA-N 393.487 1.761 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCCc2ncc[nH]2)CC[C@H]1NC(=O)c1c(C)n[nH]c1C 2100542913 JWZUPGBHBDQVHQ-RRFJBIMHSA-N 388.472 1.022 0 50 GDAA CN(CCN1CCCC1=O)C(=O)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 2325731133 IKOYQPGCTNIDEQ-OAHLLOKOSA-N 391.443 1.625 0 50 GDAA O=C(c1cc(Cn2cc(Cl)cn2)cs1)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325810592 SRMSGWUIUVSEDO-SNVBAGLBSA-N 379.829 1.952 0 50 GDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H]5CCC[C@H]54)ccc3C2=O)C(=O)N1 2325887754 UMNZJICYHNPLJJ-VHSSKADRSA-N 395.459 1.852 0 50 GDAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCOCC1 654060 MDLSAWAYDVYVKH-UHFFFAOYSA-N 378.425 1.880 0 50 GDAA COc1c[nH]c(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1=O 2356149406 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CC(C)CN(C(=O)Cn1cnc(-c2nccs2)n1)[C@H]1CCS(=O)(=O)C1 329724861 BQKQYTSCCMIETM-LBPRGKRZSA-N 383.499 1.073 0 50 GDAA O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@@H](N2CCCC2=O)C1 330067379 FMHGUROGWMCEFZ-ZIAGYGMSSA-N 377.391 1.541 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CCN1 71735641 WBVQCZJJLNFIAU-INIZCTEOSA-N 378.388 1.902 0 50 GDAA Cn1cc(SCC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c2ccccc21 219876188 QVZMTFGFJDXGJU-HIFRSBDPSA-N 378.450 1.645 0 50 GDAA O=C(c1ccc[nH]1)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 77353594 ILMDRHIWISMKLY-OAHLLOKOSA-N 375.450 1.280 0 50 GDAA O=C(NCc1ccncn1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71765598 ZXBGMVUUWQWOSC-LJQANCHMSA-N 394.523 1.864 0 50 GDAA COc1cccc(N2C[C@@H](C)N(C(=O)Cn3[nH]c4ccccc4c3=O)CC2=O)c1 82134696 FINVKNRYEWUBMX-CQSZACIVSA-N 394.431 1.602 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)c1 426494528 ZNHDYFWRSAJWQE-OAHLLOKOSA-N 383.452 1.534 0 50 GDAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426584995 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NC(=O)CN1CCC[C@@H](C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)C1 826838702 LZLJWGQOAPNLGB-LJQANCHMSA-N 398.482 1.989 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)C2 670449165 CMERUNQMBCIFAK-SFHVURJKSA-N 385.443 1.064 0 50 GDAA O=C(Cn1cncn1)NS(=O)(=O)c1c(Cl)cccc1Br 1875252880 KRUPABYNAHHEHS-UHFFFAOYSA-N 379.623 1.199 0 50 GDAA NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cc2cc3ccccc3o2)C1 1875312424 BQRGRCOWAUVLHY-HZPDHXFCSA-N 391.493 1.882 0 50 GDAA Cc1cc(C(=O)N2CCC[C@H]2CN(C)C(=O)c2nn(C)c3c2CCCC3)no1 1875327582 ADROKZDNJSLYND-AWEZNQCLSA-N 385.468 1.972 0 50 GDAA O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1cccc([C@@H]2CC2(F)F)c1 1875312674 ITASHMKQIDXKKX-LBPRGKRZSA-N 378.364 1.403 0 50 GDAA Cc1cc(NC(=O)N2CCC[C@@H](CC(N)=O)CC2)ccc1S(=O)(=O)N(C)C 1875311056 LNAIXADTGHRLGA-CQSZACIVSA-N 396.513 1.755 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@H](n3nnnc3C(F)(F)F)C2)cc1 1875381856 JOFPJKJCMXHHRC-ZDUSSCGKSA-N 394.357 1.928 0 50 GDAA CC1(C)O[C@@H]2[C@H](O1)[C@H]1CC[C@]2(NC(=O)NCCn2cc([C@@H]3CCOC3)cn2)C1 1875406076 WKTUBQJBQOIHSJ-NXDVGTENSA-N 390.484 1.759 0 50 GDAA CCC[C@@H](CC)S(=O)(=O)N1CCc2nnc(N3CCN(C)CC3)cc2C1 952892290 GLLYEHGHKFXWQC-MRXNPFEDSA-N 381.546 1.495 0 50 GDAA CC(C)Cc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)s1 1565512489 JJPHYHBXJWYTBE-HOTGVXAUSA-N 375.560 1.278 0 50 GDAA CC(=O)N1CCc2c(ncn(CC(=O)N(C)CCCOc3ccccc3)c2=O)C1 275648400 UELISPSRVPYKDQ-UHFFFAOYSA-N 398.463 1.075 0 50 GDAA CSCC[C@H](NC(=O)COC[C@H]1CCCNC1)c1nnc2ccccn12 170591645 PDWHGZWSSWLHJQ-GJZGRUSLSA-N 377.514 1.656 0 50 GDAA COc1cc(N2CCCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)nc(N)n1 1772819419 UCLDZSWIAFLENJ-UHFFFAOYSA-N 394.439 1.001 0 50 GDAA CN(C)C[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCc4sc(N5CCOCC5)nc4C3)C[C@H]12 1772806797 FKBVIHAMXQQBEA-FPCVCCKLSA-N 390.553 1.351 0 50 GDAA Nc1ncc(CN2C[C@@H]3CN(CC(=O)O)C[C@@]3(CCc3ccccc3)C2)cn1 1772807869 UWGFDOQZSBOJCY-WIYYLYMNSA-N 381.480 1.510 0 50 GDAA Cc1nc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)cs1 12111706 BKDAWDNIIIXQKQ-SFHVURJKSA-N 386.521 1.843 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12438407 OMUAKWZMCUCBMH-HNNXBMFYSA-N 382.424 1.166 0 50 GDAA Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 13811658 UYQCHNUNEHJFMW-UHFFFAOYSA-N 381.436 1.446 0 50 GDAA CCOc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 19831183 AYXAGKMMZDXTEQ-INIZCTEOSA-N 375.469 1.277 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1 206247133 YMMSOPCVJWSFRQ-LSTDLKDCSA-N 397.475 1.877 0 50 GDAA Cc1ncc(CN2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)cn1 1857690845 OFYKIYXDEBHEFW-NRFANRHFSA-N 396.495 1.597 0 50 GDAA COCCNC(=O)[C@@]12CCCN(Cc3ccccc3C(=O)O)[C@H]1CN(C)CC2 1857693070 GWDMMLBJDGYZID-GHTZIAJQSA-N 389.496 1.434 0 50 GDAA CC1CCN(C(=O)[C@]23COC[C@H]2CN(S(=O)(=O)c2cccs2)C3)CC1 1857706970 DKZACIMBSBFUFO-RHSMWYFYSA-N 384.523 1.644 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@]34CC[C@H]2O4)cn1 1857713138 YTSBYCGAXJANIQ-BIZBXSGISA-N 385.464 1.626 0 50 GDAA Cn1c(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cc(=O)n(C)c1=O 1857714792 LWXVCJIOBOJCLF-DLBZAZTESA-N 385.464 1.712 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)cnn1C 1857726055 VDZAMFXNCRAOBU-OALUTQOASA-N 385.468 1.038 0 50 GDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(c3ccc4c(n3)CCC4)C[C@]23CC[C@H]1O3 1875244076 LKGYWZZAMXIWEX-IXIUHKBRSA-N 391.537 1.884 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCO)C1)c1ccc2ncsc2c1 1875250167 CMPTXQBLGOFIJT-LIRRHRJNSA-N 388.493 1.132 0 50 GDAA O=C(c1nnc2n1CCCCC2)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210235044 ZJUWRNJWLUWSSJ-CABCVRRESA-N 384.436 1.724 0 50 GDAA COc1cccc([C@@H]2C[C@@H]2c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)c1 328631965 LAWHHWUTPSHBMX-SOUVJXGZSA-N 379.438 1.682 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(Cc3ccc4[nH]ccc4c3)C[C@H]2C1 247922742 CUUTZUTZEVBEFR-HKUYNNGSSA-N 392.525 1.233 0 50 GDAA C[C@@H]1CN(C(=O)NCc2nccn2CC(F)(F)F)C[C@]2(CCO[C@@H]2C)O1 363948280 DIEPPMZKWUPNDT-JMSVASOKSA-N 376.379 1.923 0 50 GDAA CO[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 378631444 HBQJUECDFFBYLG-OAHLLOKOSA-N 382.482 1.190 0 50 GDAA Cc1ccc2nc(CS(=O)(=O)[C@H](C)C(=O)N3CCCCCC3)cc(=O)n2c1 498789956 XJLUYUYFADFWSM-OAHLLOKOSA-N 391.493 1.709 0 50 GDAA NCc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n[nH]1 2325780223 QQVFBBPXWHOVMA-UHFFFAOYSA-N 382.493 1.950 0 50 GDAA CC1(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)CCN(c2ccncc2)CC1 2325786209 SURJMYIMVOKBSK-BHIYHBOVSA-N 383.496 1.841 0 50 GDAA NC[C@@H]1CN(c2cnc(C(=O)NCc3ccc4sccc4c3)cn2)CCO1 2325795432 FKGJITAHLZPNSN-OAHLLOKOSA-N 383.477 1.785 0 50 GDAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 829698 YDWFHZNPZFZLAI-UHFFFAOYSA-N 378.425 1.880 0 50 GDAA CC(C)(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1070770 BSUYVOLBXNCJPC-UHFFFAOYSA-N 385.511 1.567 0 50 GDAA O=C1[C@H]([C@]2(O)C(=O)Nc3ccccc32)CCC[C@H]1[C@]1(O)C(=O)Nc2ccccc21 1761473 XQTNLJPZJDANDE-SDVFQCAASA-N 392.411 1.652 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CCn3ccccc3=O)C1)CC2 2356146673 PSGABLPWZOJKMX-OAQYLSRUSA-N 381.480 1.601 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1cnc2ccccn2c1=O)c1cccc(F)c1 2356167980 KUQWTHLWCBBPDG-UHFFFAOYSA-N 390.396 1.238 0 50 GDAA COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCC(=O)O)cc1 2998189 YGMQFMAFLICQGR-BOPFTXTBSA-N 384.388 1.676 0 50 GDAA biogenic O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1 3189837 GMZWOYJPEWPJLC-UHFFFAOYSA-N 382.482 1.489 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)COC)C2)cc1 4488416 AVHHFZXYYKTGPG-GJZGRUSLSA-N 384.498 1.637 0 50 GDAA O=C(O)c1c(S(=O)(=O)NC[C@H](O)c2ccccc2)sc2c1CCNC2 67472810 GKELQTMWBYVMMV-LBPRGKRZSA-N 382.463 1.104 0 50 GDAA O=C1C[C@H](C(=O)N2CC=C(c3cccs3)CC2)CN1CCN1CCOCC1 117857526 LJTCFPFPVUXNQN-KRWDZBQOSA-N 389.521 1.545 0 50 GDAA CN(C)[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 170873553 QZIQKMHTGWOLFS-GFCCVEGCSA-N 379.404 1.303 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C)c(NC(=O)C2CCCC2)c1 67886545 MAEOTJSTTSLGIG-AEFFLSMTSA-N 386.496 1.802 0 50 GDAA O=C(NCCCO)c1ccc([C@H]2CCCN2C(=O)CCn2cncn2)s1 20637380 ONESAYUZULMBJS-CYBMUJFWSA-N 377.470 1.206 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCCOCC3)nc2)CC1 67975440 GFUCRQOQURXHDI-UHFFFAOYSA-N 386.496 1.783 0 50 GDAA O=C(COc1cccnc1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67821523 KJVBPVTVERMJDQ-UHFFFAOYSA-N 393.447 1.800 0 50 GDAA Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 3618459 JNNIFXMUHPQIGQ-UHFFFAOYSA-N 398.491 1.126 0 50 GDAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)cc1 32093819 ALSWCZUQZSHVAP-CQSZACIVSA-N 379.424 1.938 0 50 GDAA COc1ccc(CCN2C[C@H](NC(=O)CCn3ccccc3=O)CC2=O)cc1 72152926 BPLHAHGUQNKSIS-QGZVFWFLSA-N 383.448 1.207 0 50 GDAA Cc1cccc(C)c1OC[C@@H](O)CN1CCC(S(=O)(=O)N2CCCC2)CC1 367092557 OSSVFCRHJPVYQI-SFHVURJKSA-N 396.553 1.933 0 50 GDAA Cc1c(C(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)nnn1-c1cccc2ncccc12 262954102 NBRPIBWEECAUJC-BZNIZROVSA-N 381.392 1.438 0 50 GDAA O=C1O[C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]2N1CCc1cccc(Cl)c1 39550974 KEOMYAZKQBTWRU-JKSUJKDBSA-N 399.900 1.728 0 50 GDAA COCC(=O)N[C@H](C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 130980290 LZJMZXWQWMQSHR-SFHVURJKSA-N 388.468 1.280 0 50 GDAA COc1ccc(OC)c(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)c1 40286446 KHHLEHLTPQIZTR-UHFFFAOYSA-N 383.408 1.702 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CN(C)C)C3)C2=O)c1 426728365 ZYKHTYNEDOMCQB-FQEVSTJZSA-N 377.460 1.737 0 50 GDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)NCCCn2ncc3ccccc32)C1 426571607 NPZYJPORVXLDOH-INIZCTEOSA-N 397.483 1.636 0 50 GDAA Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 95524624 JLNLQACOBGGBTD-LSDHHAIUSA-N 375.469 1.863 0 50 GDAA CN1CCN(Cc2noc([C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1 91694715 IERGELJRGZPKKA-INIZCTEOSA-N 387.459 1.862 0 50 GDAA CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnc(N)nc2)c1 95529491 SBFDSPUUYIYGLT-LBPRGKRZSA-N 377.470 1.408 0 50 GDAA COc1ccc(CN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 230068793 HQHRNSZWLPARJZ-MOPGFXCFSA-N 386.473 1.710 0 50 GDAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1cccc(N2CCOC2=O)c1 97099274 HPYPDSNQMCIVFO-UHFFFAOYSA-N 382.442 1.190 0 50 GDAA CC(C)(C(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1)N1CCOCC1 96141942 KVTWILJXWQZOQA-HRAATJIYSA-N 388.464 1.262 0 50 GDAA Cc1n[nH]c(SCCNC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)n1 96141351 IIOAJIXCRHHNNM-UHFFFAOYSA-N 375.458 1.526 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCNC(=O)c2ccccc2F)on1 96180551 KDGOIHNXACYYBA-DYVFJYSZSA-N 375.400 1.616 0 50 GDAA COc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1Cl 96141259 YIWLYXOMRCURDQ-MLGOLLRUSA-N 388.873 1.127 0 50 GDAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 95380621 VVQNUDOORMPSHB-IAGOWNOFSA-N 384.480 1.274 0 50 GDAA Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[C@H](CCC(=O)N2CCN(C)CC2)C1 95504243 LICOFAUFDOHUAV-QGZVFWFLSA-N 388.512 1.398 0 50 GDAA COC(=O)c1cn(CCC(=O)N2CCCc3ccccc32)cc2c(=O)[nH]nc1-2 263588773 YEZNMHDELNBDFB-UHFFFAOYSA-N 380.404 1.832 0 50 GDAA C[C@H]1N(C(=O)Cn2cnnn2)CCC[C@@]12CCCN(CCC(C)(C)C)C2=O 1940195632 SZIZAZOJIKHPLP-BEFAXECRSA-N 376.505 1.729 0 50 GDAA O=C(CN1CCN(C(=O)c2cccc(-c3cncnc3)c2)CC1)N1CCCC1 299787151 RXWICEHJOZFZRR-UHFFFAOYSA-N 379.464 1.524 0 50 GDAA COc1cccc([C@@]2(CC(=O)N(C)C(C)C)CC(=O)N(CCN(C)C)C2=O)c1 299757439 HJANFRVQBFEARA-OAQYLSRUSA-N 389.496 1.510 0 50 GDAA CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2nc(C)co2)cc1 864097500 UUANASSPRJUQQV-UHFFFAOYSA-N 383.451 1.216 0 50 GDAA O=S(=O)(c1cccnc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 828392507 HOOUAXVYUCRTKQ-UHFFFAOYSA-N 377.466 1.730 0 50 GDAA O=C(CCc1ccncc1)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 584903977 OAYRHNDTHKBWDJ-UTCTYZAISA-N 376.504 1.698 0 50 GDAA COc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C2CC2)[C@H]1c1nnc(O)n1C 1875397951 VEKFPMYWPPNQGV-DOMZBBRYSA-N 396.444 1.830 0 50 GDAA COCC(=O)Nc1ccc(NC(=O)c2cc(=O)nc3sccn23)cc1OC 952872879 QWDMFSMCKBMLFD-UHFFFAOYSA-N 388.405 1.602 0 50 GDAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 952966577 KJZGENAVRPWTOA-LJQANCHMSA-N 379.460 1.798 0 50 GDAA C[C@]1(NC(=O)CCSc2nnc(-c3ccncc3)o2)CCS(=O)(=O)C1 952969658 JKKVFUXILDCODR-HNNXBMFYSA-N 382.467 1.307 0 50 GDAA COc1cccc(F)c1C(=O)N1C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C1 1565529569 PBFWWEQHQVPNEY-OCCSQVGLSA-N 387.477 1.327 0 50 GDAA Cc1nc2c(c(C)c1CC(=O)N1CCN(c3cccs3)C(=O)C1)c(=O)[nH]n2C 186242254 QKQHSIWTXYAFSR-UHFFFAOYSA-N 399.476 1.358 0 50 GDAA Cc1cc(NC(=O)CN2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)no1 194651080 SWRNINUAFFYPOM-UHFFFAOYSA-N 378.820 1.010 0 50 GDAA Cn1ccn2ncc(C(=O)N3C[C@@H](O)[C@H](Cc4ccnc5ccccc45)C3)c12 1704347179 ISTDXBVEYAOJDV-DNVCBOLYSA-N 375.432 1.897 0 50 GDAA COc1ccc(CNCc2cn(C)nc2C)c(OC[C@@H](O)CN2CCCC2)c1 12715624 FIXBTIDXEHMJFO-IBGZPJMESA-N 388.512 1.862 0 50 GDAA CC[C@@]1(C(=O)N2CCCCCC2)C[C@@H]2CC[C@H]1N2C(=O)CCS(C)(=O)=O 1857708446 UTPUZUPRBMTCNI-FRQCXROJSA-N 384.542 1.983 0 50 GDAA COc1ccc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c(OC)n1 1857720782 KFJRSOKGFHWKJG-UHFFFAOYSA-N 385.424 1.127 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ncccc3O)CC(=O)N2[C@H]1c1ccccc1 1857729383 YNNBGWGAOQVOPS-DOXZYTNZSA-N 395.415 1.374 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CC[C@@H]1O 1857736821 YAPROCQVKDYJAX-UNMCSNQZSA-N 389.540 1.489 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N4CC[C@]5(CN(C)C(=O)O5)C4)CC3)nc2n1 1875244023 IZJGMKNSTVGVDT-FQEVSTJZSA-N 399.451 1.801 0 50 GDAA CC(C)c1nc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)no1 248199379 UGFTUJJOFRRLRT-PMACEKPBSA-N 399.539 1.993 0 50 GDAA CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100070391 KPVNJWTUJVZBLZ-SJLPKXTDSA-N 393.399 1.993 0 50 GDAA O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1cnn2cccnc12 2325817604 FLBKOAPJFMRFAV-KRWDZBQOSA-N 378.436 1.621 0 50 GDAA Cc1cc(S(=O)(=O)NC(=O)c2cn([C@@H]3CCCNCC3)nn2)cc(C)c1F 2325839843 GURLDKMTKNBGJV-CYBMUJFWSA-N 395.460 1.467 0 50 GDAA COC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(C)cc2)cc1 2079738 IRMNQDGEBHBDTK-UHFFFAOYSA-N 398.415 1.371 0 50 GDAA COc1ccc(CCNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 2864764 GTKDKIUADXEXPI-UHFFFAOYSA-N 386.448 1.730 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2887941 QMBUEDIRTJFCOL-UHFFFAOYSA-N 392.389 1.549 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2Cc1ccccc1Cl 4032242 GOEFGYLEWIDGOO-UHFFFAOYSA-N 380.813 1.302 0 50 GDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccccc4)CCN3C2=O)cc1 8295025 RCNPDLXTUQYTAV-RBUKOAKNSA-N 393.443 1.089 0 50 GDAA biogenic Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN(C)Cc1ccccc1 9764321 WPMXSZITQKNBKP-UHFFFAOYSA-N 380.452 1.507 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccnc2)cc1OC 11820894 KJRLIKSNAQNNDW-KRWDZBQOSA-N 398.463 1.106 0 50 GDAA CN(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 11944872 KMKMVAKSKFVUJS-IBGZPJMESA-N 383.496 1.202 0 50 GDAA Cn1cnnc1SCCNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12026492 RYAYAJLSCYTENY-UHFFFAOYSA-N 377.861 1.630 0 50 GDAA CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 14993752 OJAYBBGWOONIRU-AWEZNQCLSA-N 385.424 1.332 0 50 GDAA C[C@H]1CN(C2(C(=O)NCCc3cnn(C)c3)Cc3ccccc3C2)C[C@@H](C)O1 15068219 XGEPCECZXZYICH-CALCHBBNSA-N 382.508 1.726 0 50 GDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 21793826 DVVYINSMYMAQRS-UHFFFAOYSA-N 385.443 1.723 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(Cn2ccc3ccccc32)o1 67688927 ZQCIICDUZZEDSK-YJBOKZPZSA-N 380.448 1.961 0 50 GDAA Cc1nonc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71404176 ZGGVZIWBWAOULW-OAHLLOKOSA-N 375.473 1.317 0 50 GDAA CCn1c(CC2CCNCC2)nn(Cc2ccc(S(C)(=O)=O)cc2)c1=O 71416341 BJKXBROTRQEUNO-UHFFFAOYSA-N 378.498 1.059 0 50 GDAA Cc1ncncc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71752809 MXCRKFJSVBEPBO-QGZVFWFLSA-N 385.512 1.724 0 50 GDAA Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1C1CCCC1 72156259 XBVQAZJISQJMPU-FQEVSTJZSA-N 395.507 1.930 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc(C(=O)NC)o3)C2)CC1 72174477 QYBYCEVNHAYPSA-OAHLLOKOSA-N 378.473 1.378 0 50 GDAA CC(C)Cc1cc(CN2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n[nH]1 72408874 UBPVJTNNSIMZTL-DLBZAZTESA-N 382.530 1.074 0 50 GDAA COc1ccc(CN2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72424076 OFJXMUILZSKRJB-VQTJNVASSA-N 387.505 1.574 0 50 GDAA CCCCN1CCN([C@@H](C(=O)NCc2cc(C)no2)c2ccccc2)C(=O)C1=O 77385314 MUDJRGHVDZVCMN-GOSISDBHSA-N 398.463 1.811 0 50 GDAA CCc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)cc1 82135063 CNISVANNFZKPIK-UHFFFAOYSA-N 376.482 1.541 0 50 GDAA COc1ccc(F)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 91445103 ZYXYJOZSZJZSPG-APWZRJJASA-N 393.503 1.685 0 50 GDAA Cc1nn(CC(=O)NCCc2noc([C@@H]3CCCO3)n2)c(=O)c2ccccc12 91620226 QBWGBRARPDOWRP-HNNXBMFYSA-N 383.408 1.298 0 50 GDAA CC(C)N1CCO[C@@H](CC(=O)N2CCN(CCOc3ccccc3)CC2)C1 91933964 DBYZXLPFPXKIQQ-FQEVSTJZSA-N 375.513 1.709 0 50 GDAA O=C(N[C@H]1CCNC1=O)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1 95510457 QJWVULGCGVPLMK-FQEVSTJZSA-N 394.475 1.743 0 50 GDAA O=C([C@@H](O)c1ccccc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95523247 CEGWCBPWOKZNLO-SFHVURJKSA-N 394.475 1.756 0 50 GDAA O=C(Cc1ccc(O)cc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95523960 WYVGFCLZSWRYHR-UHFFFAOYSA-N 394.475 1.970 0 50 GDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 96141095 PQONDCNEXVLCLA-UHFFFAOYSA-N 394.483 1.473 0 50 GDAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2c[nH]c3ncnn3c2=O)c1C 101732736 SPCXZUQLMWQCRU-LBPRGKRZSA-N 377.408 1.711 0 50 GDAA CCCn1ccnc1CN1CCN(C)[C@@]2(CCC(=O)N(CCOC)CC2)C1 107408409 LGPKBKVWQWDMBE-HXUWFJFHSA-N 377.533 1.438 0 50 GDAA N[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 158428857 UDQWWJUHAVKEOQ-ZDUSSCGKSA-N 375.288 1.314 0 50 GDAA CCN(CCNC(=O)[C@H](Cc1ccccc1)n1nnnc1C)CC(F)(F)F 170605847 UVDZXLYRSHNXMV-HNNXBMFYSA-N 384.406 1.766 0 50 GDAA O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCN(CC2CCOCC2)CC1 172464384 BYAUCQOPEIIHSG-HXUWFJFHSA-N 385.508 1.862 0 50 GDAA FC(F)(F)c1nnc2ccc(NC[C@@H]3CN(c4nncs4)CCO3)nn12 225648485 YOHOZRMFKIEOTM-MRVPVSSYSA-N 386.363 1.312 0 50 GDAA CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H](c2cccnc2)N[C@H]1c1cccnc1 229942322 USISSUPZZPBSRF-USTZCAOPSA-N 397.431 1.790 0 50 GDAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 237437351 WESYXKXCIUPVJY-NXEZZACHSA-N 391.287 1.721 0 50 GDAA Cc1nccnc1N1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 248031101 LTEQBYSOBWAOQP-SFTDATJTSA-N 381.524 1.585 0 50 GDAA O=C1COc2cc(C(=O)N[C@H]3C[C@H](c4nnc(CO)n4C4CC4)C3)ccc2N1 252571086 XQJCBEVDGRUMGD-HAQNSBGRSA-N 383.408 1.112 0 50 GDAA CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)O 262485337 LBOUVKARQHZINP-ZIAGYGMSSA-N 390.436 1.674 0 50 GDAA COC(=O)c1cn(Cc2nc(COc3ccccc3)no2)cc2c(=O)[nH]nc1-2 263587251 DVYIKFRNVSDKQH-UHFFFAOYSA-N 381.348 1.473 0 50 GDAA CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1 275205634 AHGOEGLJUJVODJ-OAHLLOKOSA-N 395.437 1.726 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3ccc4c(c3)OCCCO4)O2)n1 275296529 MKRFYWOHDNXVNQ-DOMZBBRYSA-N 395.437 1.738 0 50 GDAA Cc1c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cnn1C 296054250 OUFQBGPNHFIDTG-OAHLLOKOSA-N 391.497 1.566 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2ncnc3c(C)cccc23)[C@@H]1c1cnn(C)c1 328614337 VREMBGFPYFABNW-MGPUTAFESA-N 394.479 2.320 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 328644959 ZNNMNOKXBWLTHK-WCQYABFASA-N 395.437 1.290 0 50 GDAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2ccc(F)cc2Cl)CC1 328646134 SKDXMTRHMVRHLN-UHFFFAOYSA-N 392.836 1.430 0 50 GDAA O=C(CN(C[C@@H]1CCCO1)c1ccc2nnc(C(F)F)n2n1)N1CCCC1 329108535 INMGQQVNYHHVPG-LBPRGKRZSA-N 380.399 1.670 0 50 GDAA O=C(NCc1nnc(-c2ccccc2)o1)[C@@H](Cc1ccccc1)n1cnnn1 426529332 OKVXPVDHQBRYEJ-MRXNPFEDSA-N 375.392 1.823 0 50 GDAA NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c(F)c1 426738962 ANLCTSIWPXXIJJ-AWEZNQCLSA-N 378.425 1.737 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 670469706 FLQZMULQFYOXEP-LJQANCHMSA-N 381.542 1.844 0 50 GDAA Cc1nnc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)C[C@@H](C)O2)o1 888101812 XFXFBDVDVDJYBL-BPGGGUHBSA-N 379.461 1.543 0 50 GDAA O=C(O)c1cnn(CC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 911720739 ODGSOIJBIHUJPB-FZMZJTMJSA-N 383.326 1.935 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cn(C[C@@H]2CCCNC2)nn1 952962293 DIVKMWMEQXGXFV-CYBMUJFWSA-N 382.428 1.119 0 50 GDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(C(N)=O)cc1 952977472 NFBWWHVZWKNGLD-ZDUSSCGKSA-N 379.482 1.197 0 50 GDAA Cn1nccc1CN1CCC2(CC1)CN(C(=O)CCc1cccnc1)CCO2 1506398195 XBGQMLTZYHHSGR-UHFFFAOYSA-N 383.496 1.641 0 50 GDAA O=C(C[C@@H]1CCCOC1)NCC1CCN(C(=O)Cn2ccc(=O)cc2)CC1 1506399929 RLAXHKQFYMTLSL-KRWDZBQOSA-N 375.469 1.020 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)C1 1506408150 VPDVPPJICVFECG-OAHLLOKOSA-N 394.497 1.553 0 50 GDAA Cc1nnc(SCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)s1 1529092587 VMUVRMFNFXSLSA-KGLIPLIRSA-N 378.479 1.311 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCC(=O)N(C)C3CCCCC3)C[C@@H]2O)on1 1529169335 WFCGJYGJPQVOOR-QAPCUYQASA-N 377.485 1.916 0 50 GDAA O=C(COc1ccc(CN(CCO)Cc2ncc[nH]2)cc1)NC[C@@H]1CCCO1 1772701169 COUHRPGXPAIXAY-SFHVURJKSA-N 388.468 1.078 0 50 GDAA CC[C@@H](C(=O)N1CCCN(c2nnnn2-c2ccccc2)CC1)n1cccn1 1772815374 JVVBBQZOBMSJST-KRWDZBQOSA-N 380.456 1.549 0 50 GDAA C[C@@H](CCNC(=O)C[C@H]1CCC(=O)N1C)NC(=O)c1cnc(O)c2ccccc12 1775991193 JFMBZQGVXKDYKA-UONOGXRCSA-N 398.463 1.576 0 50 GDAA O=C(CCc1cccc2c1B(O)OC2)N1CCC(N=c2cc[nH]cc2Cl)CC1 1776002883 KHZLFBVZWKQJCM-UHFFFAOYSA-N 399.687 1.410 0 50 GDAA CCc1noc(C)c1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2C)CC1 1800409719 KFQRGCXGKDPMCK-UHFFFAOYSA-N 395.485 1.124 0 50 GDAA CCOCC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@]2(CCc2ccccc2)C1 1857671868 UTNOYOYSFPGSET-UWJYYQICSA-N 397.479 1.375 0 50 GDAA FC(F)(F)c1nnc(N2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)s1 1857680934 YGAOPDZWXWQGAL-GFCCVEGCSA-N 391.463 1.980 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CN3CCOC3=O)C1)CC2 1857686964 LBHUHWZPMDPKAJ-HXUWFJFHSA-N 388.468 1.738 0 50 GDAA Cc1nc2ccccc2nc1-c1nccn1[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 1857704575 XWKJTQOMIVHHRX-CJNGLKHVSA-N 376.420 1.416 0 50 GDAA CC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3cc(F)ccc3C)C[C@]23CC[C@H]1O3 1857713009 RLFGJYLTAKUWAB-BVIKNXMNSA-N 382.457 1.438 0 50 GDAA COC(=O)N1CCN(C(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)CC1 1857730210 MDKAWALSYHICJY-CQSZACIVSA-N 387.440 1.740 0 50 GDAA O=S(=O)(CCn1ccnc1-c1ccc(-n2ccnc2)cc1)N1CCOCC1 1857733165 XXZCGBXETXPLBS-UHFFFAOYSA-N 387.465 1.398 0 50 GDAA O=C1CCCCN1CC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857736670 WAZHJRIMOJXFAG-FVJLSDCUSA-N 383.448 1.300 0 50 GDAA CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccn2n1)C(=O)N1CCOCC1 1875266606 IJTZQUQOPGEDOB-INIZCTEOSA-N 378.860 1.991 0 50 GDAA CN1C[C@@H](NC(=O)[C@@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)[C@H](c2cncn2C)C1 1875405517 IFILLFFARCIDFC-DXEZIKHYSA-N 389.544 1.465 0 50 GDAA O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cc2ccccc2)c[nH]1 2325773254 BCENISULEZTZOS-LJQANCHMSA-N 396.491 1.268 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cnc3c(c2)COCC3)cn1 2325788534 MYKYXRMEQPITCJ-SFHVURJKSA-N 376.482 1.342 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COC)CC2)cc1 4488411 HVBVBJNQSWKZPS-CQSZACIVSA-N 384.498 1.637 0 50 GDAA COc1ccc(N2C(=O)C[C@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)cc1 5387787 GSJBSRXQHCZBTM-OAQYLSRUSA-N 393.399 1.790 0 50 GDAA COc1ccc(OC)c(NC(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)c1 11905710 LQPXQMMXJYAXRO-UHFFFAOYSA-N 379.438 1.361 0 50 GDAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12002059 DLQGSEXNXKBRCC-UHFFFAOYSA-N 387.465 1.114 0 50 GDAA CN1C(=O)N(C(C)(C)C)[C@H]2O[C@H]([C@@H]3O[C@@H]4[C@@H](O3)N(C(C)(C)C)C(=O)N4C)O[C@H]21 13769540 MJSSPZRFJYPVJP-YOVYLDAJSA-N 398.460 1.368 0 50 GDAA O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14746527 NOSAQVFXRCQKQB-IHRRRGAJSA-N 396.369 1.801 0 50 GDAA O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 65363003 ZTVCEOUYEPAIKL-UHFFFAOYSA-N 395.525 1.313 0 50 GDAA Cc1cnc2c(C(=O)N3CC[C@@H](c4ccc5c(c4)OCO5)[C@H](O)C3)cnn2c1 65373333 POVIFLCKCPODGS-GOEBONIOSA-N 380.404 1.757 0 50 GDAA CCn1c(C2CCNCC2)nn(C[C@H]2CN(Cc3ccccc3)CCO2)c1=O 65393698 SMGXLLIYUNGYSC-LJQANCHMSA-N 385.512 1.433 0 50 GDAA O=C(NCCO)c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 65407130 UKQSHFQDWXOEJX-UHFFFAOYSA-N 378.816 1.003 0 50 GDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65526777 XNLKHPQFDBMZLT-OAQYLSRUSA-N 381.432 1.784 0 50 GDAA Cc1ccc(CCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)cc1 65527730 HMPUHCRIYIGUHL-UHFFFAOYSA-N 395.507 1.554 0 50 GDAA O=C(CCc1c[nH]cn1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67587569 YYWNKJLHPTWHTM-UHFFFAOYSA-N 380.452 1.698 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3C[C@H](CO)C[C@H](CN4CCOCC4)C3)[nH]n2)o1 91254275 QGGOKTPUSVLPBX-HZPDHXFCSA-N 388.468 1.381 0 50 GDAA Cc1ncsc1C(=O)N1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 91304132 MRQAXXUSAWEOSO-RDTXWAMCSA-N 378.498 1.566 0 50 GDAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(Cc2ccoc2)[C@H](CCO)C1 91914562 UEEHAVGPMLOOTB-LJQANCHMSA-N 381.436 1.569 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cc(Cl)cc(Cl)c1)CCN2CCO 95373960 OFBJDKBKUBWIBG-CABCVRRESA-N 379.309 1.269 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccc(N)nc2)CC3)cn1 95392961 XURPCSHOSFYGTB-UHFFFAOYSA-N 394.479 1.807 0 50 GDAA CCc1cnc(C)nc1N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96151246 SRIWURMDNUEDJO-UHFFFAOYSA-N 385.516 1.692 0 50 GDAA CCn1ccc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3CC)CC2)n1 96160265 PRMVHNAFAXWVDK-UHFFFAOYSA-N 382.472 1.779 0 50 GDAA COc1cc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)ccc1F 96162145 SKCWZUYNUMSJRP-UHFFFAOYSA-N 385.447 1.982 0 50 GDAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 100630346 NGMBBXDLCNLANV-GASCZTMLSA-N 386.433 1.957 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1F 107418045 UXSCYFHALHVNPN-GOSISDBHSA-N 383.489 1.451 0 50 GDAA Cc1cc(C(=O)N2CCCN(c3nccs3)CC2)cc(S(N)(=O)=O)c1C 172637042 GPKRHXAJUVKCTC-UHFFFAOYSA-N 394.522 1.760 0 50 GDAA C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(N3CCCC3)ccn2)CC1 189258461 MNTGQOWTRADJMA-KRWDZBQOSA-N 385.512 1.451 0 50 GDAA O=C(c1cc2sccc2[nH]1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 192138330 JRXRANOMLYDYCM-UHFFFAOYSA-N 380.451 1.505 0 50 GDAA Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C)(C)S(=O)(=O)CC3)CC2=O)cc1 192850925 BSSFYCSPQTVYDJ-KRWDZBQOSA-N 392.521 1.769 0 50 GDAA CC[C@]1(C(=O)OC)N[C@@H](c2ccc(-c3ccccn3)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210036401 FPYXRMBPUGMQRR-ORGXJRBJSA-N 393.443 1.946 0 50 GDAA O=C(CN1CCOc2ccccc2C1)NCCc1nc(-c2cccnc2)no1 221400424 WAZAGQXUWLVSFO-UHFFFAOYSA-N 379.420 1.685 0 50 GDAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NCC(C)C)n1 225689112 OCGUGOBSTRYBOF-SYQHCUMBSA-N 378.429 1.106 0 50 GDAA O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 230277249 JGKJIFBQKJXCEU-WBVHZDCISA-N 376.420 1.143 0 50 GDAA biogenic CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 230478102 VDHRQVYCQVOPFL-GUTXKFCHSA-N 394.468 1.589 0 50 GDAA COCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@@H](N)C1 252539673 OHRNVVATDBHBNU-WOVMCDHWSA-N 388.491 1.591 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc2C[C@H]1C 275339560 RNHVTQBLQQTBCB-HIFRSBDPSA-N 388.493 1.722 0 50 GDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 282384655 GTVIZBVDLCKJLI-KVBSNLODSA-N 396.443 1.137 0 50 GDAA Cc1nc2cc(C(=O)N3CCN[C@H](C)C3)ccc2n1[C@H]1CCS(=O)(=O)C1 299740244 XLSNOHPIVZQELW-DOMZBBRYSA-N 376.482 1.138 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299764021 JDOGMUFBEHOELR-HOCLYGCPSA-N 378.454 1.438 0 50 GDAA COc1ccc2c(c1)C[C@@H](C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CO2 299769511 QAJDRNGYNQIPKN-OAHLLOKOSA-N 379.420 1.785 0 50 GDAA Cc1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)cc(S(=O)(=O)N(C)C)c1C 329135206 CBPRZLVLBOKNOM-IBGZPJMESA-N 396.509 1.575 0 50 GDAA Cc1nc(S(=O)(=O)N2CCN(c3ccnc4c3cnn4C)CC2)cs1 329346415 CEIRMFBKJZXHRI-UHFFFAOYSA-N 378.483 1.244 0 50 GDAA CS(=O)(=O)Nc1cccc(CN2C(=O)N[C@@H](c3cccc(O)c3)C2=O)c1 349209184 OVQGWNCPXCOWPF-HNNXBMFYSA-N 375.406 1.557 0 50 GDAA C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 364876101 GHQJWLGBPUABTO-UGSOOPFHSA-N 395.415 1.089 0 50 GDAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 369384197 QRTZJSOJANXLKJ-LISAXSMJSA-N 388.530 1.376 0 50 GDAA CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)s1 372622983 XKCTYKRLBRTXMC-MVIOUDGNSA-N 386.377 1.204 0 50 GDAA COc1cc(F)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1OC 378021127 YMOYEEKOUOFYTQ-UHFFFAOYSA-N 382.369 1.975 0 50 GDAA Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 378388899 KMWNHAPDXGSDIN-LBPRGKRZSA-N 382.342 1.831 0 50 GDAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCN(c2ncc[nH]c2=O)CC1 426518342 PHVDDIZONJHIPF-UHFFFAOYSA-N 380.452 1.634 0 50 GDAA Cc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c2c(O)nc(=O)n(C)c2n1 426526111 MZNOQARUHBCHJK-UHFFFAOYSA-N 382.355 1.288 0 50 GDAA CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(CN)cc2)n(C)c1 843512308 HDUSBSOBACDQOF-UHFFFAOYSA-N 378.498 1.444 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1OC[C@H]1CCCO1 952990579 WFZQJHGMPNKPDI-QGZVFWFLSA-N 397.479 1.795 0 50 GDAA CCc1nc(C)c(CN2CCCN(C(=O)c3cnc(N(C)C)nc3C)CC2)[nH]1 1529118489 LJOPCTCCKUODTI-UHFFFAOYSA-N 385.516 1.793 0 50 GDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cn3ccsc3n2)[C@@H](O)C1 1565506456 PXBZJFPMYFQKPI-ZFWWWQNUSA-N 375.454 1.366 0 50 GDAA CC(C)n1cncc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857718789 STVFITXDZAGTBQ-IKGGRYGDSA-N 386.500 1.820 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCc3ncccc3C)CC2=O)s1 1857728553 HDVXDNZSJLMNJK-LBPRGKRZSA-N 375.454 1.100 0 50 GDAA O=C(Nc1nnc2cnccn12)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 1875270319 CXUICUDJOJIRDS-SCLBCKFNSA-N 398.423 1.793 0 50 GDAA O=C1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2C(=O)OCc2ccccc2)CCN1 1875301803 VQVQNWZXUJZJLU-CABCVRRESA-N 395.406 1.818 0 50 GDAA C[C@@H]1C[C@H](O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C1 1875313212 ZEOCCVPAJCRSFY-HUUCEWRRSA-N 383.514 1.433 0 50 GDAA CO[C@@H]1CNCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 1875315414 UGCMPJQYXSKEHJ-UONOGXRCSA-N 394.415 1.350 0 50 GDAA Cn1cc(C(=O)N2CCC[C@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326506 JLIUKHAMXMNCPR-ZDUSSCGKSA-N 395.423 1.324 0 50 GDAA O=C(Cc1ccccc1N1CCCC1=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400627 GTWJFAKYFGVREM-KVSKMBFKSA-N 382.464 1.508 0 50 GDAA CCN1C[C@@H]2CC[C@@H](OC)[C@@]34[C@H]2C[C@@H]([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@H]1[C@H]2O 2069386017 VCOQRRVEIUTMFC-JLDXXNQMSA-N 377.525 1.515 0 50 GDAA CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3cnn(C)c3)o2)COC1 2325829281 FGYDOIUWETYINQ-HUUCEWRRSA-N 386.452 1.874 0 50 GDAA CCc1ccoc1C(=O)N[C@@H]1CC2(CN(C(=O)C3(COC)CC3)C2)n2ccnc21 2332238061 XMDNXVLAUGPBFL-OAHLLOKOSA-N 398.463 1.877 0 50 GDAA NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3 1052585 IQWRCUUKALKJOD-UHFFFAOYSA-N 383.473 1.832 0 50 GDAA aggregator Cc1nonc1OCCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356139751 WQDTVRNWPKLJIX-AFBRZQFHSA-N 397.435 1.205 0 50 GDAA Cc1nc2c(C(=O)NCc3noc(-c4ccc5c(c4)OCO5)n3)ccnc2n1C 2356143416 GXMGYUOEXZWFGK-UHFFFAOYSA-N 392.375 1.985 0 50 GDAA O=C(O)c1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(C(=O)O)c1 4551658 SMZBVYYWXSTPFA-UHFFFAOYSA-N 382.328 1.989 0 50 GDAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCOCC1 4999259 HKNUMFRSINQAHQ-UHFFFAOYSA-N 380.422 1.239 0 50 GDAA CNC(=O)c1cccc(CCC(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 225499364 JMGANBXIBVIMLS-HNNXBMFYSA-N 375.469 1.075 0 50 GDAA Cc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccc(F)cc3)nc2s1 8605370 LTHAGAGSOIYKEH-UHFFFAOYSA-N 376.369 1.072 0 50 GDAA Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1C 8656826 MPPAKXDFIIICIU-UHFFFAOYSA-N 383.452 1.438 0 50 GDAA NC(=O)C1(N2CCCCC2)CCN(CC(=O)NC2Cc3ccccc3C2)CC1 9483068 NZQLVHJPFOJPTB-UHFFFAOYSA-N 384.524 1.076 0 50 GDAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 247312928 KCUDJRMANMTPJE-UAGQMJEPSA-N 375.444 1.838 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)NCCn3c(C)cc(C)nc3=O)CC2=O)cc1 55393350 OXTJEYVRDVQVJB-GOSISDBHSA-N 382.464 1.333 0 50 GDAA O=C(NCCCn1ccc2ccccc21)c1cn(CCN2CCOCC2)nn1 20542100 KAYCOSXIIPHJEL-UHFFFAOYSA-N 382.468 1.385 0 50 GDAA COCCNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 22920219 ASBWNQGLNAMXSI-VMPITWQZSA-N 384.480 1.882 0 50 GDAA CN(C(=O)Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCCN(c2cccnn2)C1 136360934 KRJKOHJMOMQZTP-QGZVFWFLSA-N 377.448 1.988 0 50 GDAA Cc1cc(C(=O)Nc2n[nH]c(SCCO)n2)nn1-c1c(F)cccc1F 471303507 IGDFSQNBSOMDCX-UHFFFAOYSA-N 380.380 1.914 0 50 GDAA CCN(CC)CCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67919798 ZJVDFKMYMOEBTK-INIZCTEOSA-N 376.501 1.434 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C)c2nc(N)sc2c1 67834477 LYZGJXMYRLHQLU-STQMWFEESA-N 375.498 1.597 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cccc3c2OCO3)cn1 328643813 YYMZPOFGSBFQBS-CQSZACIVSA-N 377.422 1.244 0 50 GDAA CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc(C(N)=O)c1C 12623191 HVENEIWMIVYRKA-AOOOYVTPSA-N 383.470 1.380 0 50 GDAA CCN1CCN(Cc2cc(CN3CCCC3)cs2)[C@H]2CS(=O)(=O)C[C@H]21 77457752 MIOXIRPSQZDZIW-MSOLQXFVSA-N 383.583 1.647 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cncc(C)c1)CO2 71712174 AMEHANSCCQTIKL-QGZVFWFLSA-N 398.463 1.992 0 50 GDAA C[C@H]1C[C@H](NC(=O)NCc2nnc3ccccn23)c2ccsc2S1(=O)=O 367846584 BPKAPKFPQNKZET-JQWIXIFHSA-N 391.478 1.897 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@H]1CCCNCC1)C(=O)N(C1CCCC1)C2 71762440 HZAYMFDOZOXQTQ-AWEZNQCLSA-N 386.496 1.995 0 50 GDAA Cn1cnnc1CCC(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 72144199 AZFPEDGCTCNRCP-LJQANCHMSA-N 382.512 1.903 0 50 GDAA O=C(C1=COCCO1)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 372636309 DKMWUVAOCQCAJH-UHFFFAOYSA-N 388.405 1.055 0 50 GDAA COc1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 72409549 JQERVNRULIDIAD-SJORKVTESA-N 378.494 1.337 0 50 GDAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCCO2)CC3)no1 77458266 YBINKRWBMMTXJH-INIZCTEOSA-N 391.449 1.848 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(C)(C)N)CC2 77387935 INRFBZDFEJTRFE-INIZCTEOSA-N 395.525 1.108 0 50 GDAA CC(C)=CCN1CCN(C(=O)Cc2ccc(F)c(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72463014 XYCPXMGUHDMNGZ-MOPGFXCFSA-N 394.512 1.953 0 50 GDAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)N1CCS[C@@H]2COCC[C@@H]21 242156004 WVADLPGBKCEJQJ-DZGCQCFKSA-N 391.424 1.220 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 285595960 LBOOCWHZRPRPFY-AWEZNQCLSA-N 395.554 1.860 0 50 GDAA COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1OC 82230544 XJMQBTMHYNLEMZ-UHFFFAOYSA-N 387.440 1.172 0 50 GDAA CCC[C@@H]1CN(Cc2nnc(-c3ccc(C)n3C)o2)C[C@H]1NS(C)(=O)=O 82099686 WZUPYMLOHKTXTD-ZIAGYGMSSA-N 381.502 1.533 0 50 GDAA Cc1nc2c(c(NCCN3CCC[C@H](C(N)=O)C3)n1)Cc1ccccc1OC2 96149804 LLZIEDDIFYTEST-INIZCTEOSA-N 381.480 1.877 0 50 GDAA Cn1cc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O 91327149 UJAFIGBBOARBRJ-FQEVSTJZSA-N 385.420 1.287 0 50 GDAA O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238901815 MWUJWUHYGWEQSV-JOCQHMNTSA-N 375.450 1.979 0 50 GDAA O=C1CN(c2ccc(C(=O)NCc3ccccc3-n3cncn3)cc2)C(=O)N1 95372361 SMHPRFHIKPHQOQ-UHFFFAOYSA-N 376.376 1.254 0 50 GDAA CN1CCN2CCN(C(=O)Nc3cnn(Cc4ccccc4F)c3)C[C@@H]2C1=O 97660312 NJHRAQCPXCTHKU-QGZVFWFLSA-N 386.431 1.061 0 50 GDAA Cn1cc(CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 182717246 DARGYALOSLFYIF-UHFFFAOYSA-N 399.476 1.734 0 50 GDAA CCn1c(CN2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)nnc1[C@H]1C[C@@H](N)C1 252551802 UHHCJMCPGRKUPQ-WNKDZCFJSA-N 376.549 1.576 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1 827831115 UDQMFFMTIRHKPJ-INIZCTEOSA-N 376.420 1.925 0 50 GDAA O=C(Nc1ccccc1CN1CCOCC1)c1ccc(Cn2cnnn2)cc1 828157782 PTYHCMZONNATRT-UHFFFAOYSA-N 378.436 1.806 0 50 GDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H]3C[C@H](C)CN3C1)CCO2 1875396036 TVGMNKNLRDCJHF-KNUGYYJTSA-N 397.585 1.986 0 50 GDAA C=CC(=O)NCC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1875303052 STKXBEZPALKFDD-UHFFFAOYSA-N 383.370 1.728 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)C1=O 278841515 QWKQOBWXKMIGKL-YJYMSZOUSA-N 375.425 1.727 0 50 GDAA CCc1csc(NC2CCN(C(=O)c3coc(S(=O)(=O)NC)c3)CC2)n1 170600498 VTKKQCNWXXEAGF-UHFFFAOYSA-N 398.510 1.923 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CCN1 187155141 WRWPJYPZKOJKKG-SECBINFHSA-N 388.287 1.316 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1c(C)nn(CC(C)C)c1C)C2 189211796 OWTJDPRLQPRYFE-UHFFFAOYSA-N 393.513 1.480 0 50 GDAA C[C@@H]1CNCCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 193354068 MCGYJZMRRKCKRQ-SECBINFHSA-N 377.260 1.203 0 50 GDAA CNc1ncnc2c1cnn2CC(=O)NCc1cccc(C(=O)NC2CC2)c1 194415152 NCHQIPWZOIGQEK-UHFFFAOYSA-N 379.424 1.077 0 50 GDAA O=C1N[C@H]2CCN(C2)C(=O)CCc2cn(nn2)CCOc2ccc(Cl)cc21 1704324252 ZUDUSYVROAFQCR-ZDUSSCGKSA-N 389.843 1.287 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3CCCCN3C)CC2)cc1 1775982927 VJPTYYGZOMBMAP-GOSISDBHSA-N 379.526 1.702 0 50 GDAA CCCc1cc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCOC)n[nH]1 11664501 AFOGCOMKJLZJSK-UHFFFAOYSA-N 383.518 1.631 0 50 GDAA CC(C)S(=O)(=O)c1ncc(CN(CCO)CCO)n1CCc1ccccc1 12299190 JEQJNYSNGGOAAC-UHFFFAOYSA-N 395.525 1.095 0 50 GDAA COCCCn1c(CN(C)Cc2ccn[nH]2)cnc1S(=O)(=O)C1CCCC1 12446946 ZQSQHXSTTBIEFO-UHFFFAOYSA-N 395.529 1.991 0 50 GDAA O=C(CCC1CCCCC1)NCCCn1cc(C(=O)N2CCOCC2)nn1 14993373 NHMFFCMJIOQTLF-UHFFFAOYSA-N 377.489 1.617 0 50 GDAA COC(=O)c1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 16265407 IMAZMOJOSKONPX-PTNGSMBKSA-N 391.408 1.513 0 50 GDAA CC(C)n1cncc1CN1CCO[C@]2(CCN(CC(=O)N3CCCCC3)C2)C1 1857690459 DNQGYRVORYHZAV-NRFANRHFSA-N 389.544 1.753 0 50 GDAA O=C(CN1CCOC1=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857713370 WYEOSTSENOCEDV-HRCADAONSA-N 379.844 1.423 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]12 1857721220 FUNYVKRLNUYMOJ-JZXOWHBKSA-N 382.913 1.775 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCn2cncn2)C1 1857723102 STMNQMGENZBAFO-OAQYLSRUSA-N 397.527 1.726 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CN2Cc3ccccc3C2)CC1 1857734227 FSLOMOLBFNJXET-UHFFFAOYSA-N 379.464 1.417 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc21 265517079 QLKYNILXRYMDNU-UHFFFAOYSA-N 388.493 1.997 0 50 GDAA COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(-n2cnnn2)c1 1089597 OIGLKMSETNVBOB-UHFFFAOYSA-N 385.380 1.949 0 50 GDAA COc1ccccc1N1CCN(C(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)CC1 2354895 ALLVMDCMILIRMF-IKGGRYGDSA-N 386.496 1.133 0 50 GDAA Cc1nc(C)c(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)s1 2356139941 NCMXOJQOQXIYNG-MSOLQXFVSA-N 386.477 1.902 0 50 GDAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccncc1 4413157 IRNLEYIOYFUKKT-UHFFFAOYSA-N 389.477 1.870 0 50 GDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10323903 OIACTWIJJYUAJA-GFCCVEGCSA-N 388.461 1.386 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)n[nH]1 8611070 WQCWKKNWJAICIY-UHFFFAOYSA-N 394.453 1.106 0 50 GDAA CC(C)COc1ccccc1CN(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 55211528 VVJMNZUIVNJIMF-QGZVFWFLSA-N 382.526 1.799 0 50 GDAA CCCCc1ccc(-n2cc(CN3CCNC(=O)[C@H]3CC(=O)NC)cn2)cc1 55225847 KUQOQJZBCJLFOO-LJQANCHMSA-N 383.496 1.651 0 50 GDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 134963266 XZAYSHBUFPWKKJ-UHFFFAOYSA-N 379.468 1.576 0 50 GDAA CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 328645691 SHUUPVDXUXKZEO-VQIMIIECSA-N 399.499 1.679 0 50 GDAA Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 328642855 YNVUZBPENIUDME-DZGCQCFKSA-N 392.437 1.001 0 50 GDAA CCN(CC)CCn1c(NS(=O)(=O)c2cnn(C)c2)nc2ccccc21 6241349 HKIDJMDZRDTPOX-UHFFFAOYSA-N 376.486 1.912 0 50 GDAA CN(Cc1cnccn1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71404139 IPRQMRHZQIOVOK-KRWDZBQOSA-N 385.512 1.548 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)c1 77301951 IQZBSBLUYZWMOZ-JYLXEMOASA-N 393.443 1.924 0 50 GDAA CN(C)C(=O)Cn1c(=O)c(=O)n(Cc2ccco2)c2ccc(C(F)(F)F)cc21 40546125 PEVSDBXJXTTXDA-UHFFFAOYSA-N 395.337 1.912 0 50 GDAA CC(C)CC(=O)NCCC(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 175751641 MLEZQHVAELERCA-UHFFFAOYSA-N 393.532 1.954 0 50 GDAA COc1ccccc1N1C[C@@H](NC(=O)CCc2c(C)nc(O)nc2C)CC1=O 220463224 LVGKLGXRAUWAIP-AWEZNQCLSA-N 384.436 1.662 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 220218108 AXNYUHHGQIUHRI-IBGZPJMESA-N 378.436 1.953 0 50 GDAA O=C(O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)CCC2CCOCC2)CC1 292353645 FGHVRWAFCCBBRS-GOSISDBHSA-N 396.509 1.576 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 95357998 LHXQFWNLGPWQLJ-DLBZAZTESA-N 379.464 1.878 0 50 GDAA O=C(CCn1cccn1)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 96137308 AVCUNYKDIXRBOA-UHFFFAOYSA-N 395.471 1.246 0 50 GDAA O=C(CN1CCOC1=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 91289407 HNDILCUWHDZTCT-HXUWFJFHSA-N 386.452 1.265 0 50 GDAA COC[C@@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91624644 BQLWHVUBZVQKMY-NSHDSACASA-N 377.422 1.909 0 50 GDAA CN1CCC(n2nc(-c3ccncc3)nc2C[C@H]2CCS(=O)(=O)C2)CC1 96153353 HCUDBAVVRXHUPK-CQSZACIVSA-N 375.498 1.584 0 50 GDAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)Cn2cccn2)CC1 96153223 ORZISWBQJXMKBO-UHFFFAOYSA-N 385.516 1.794 0 50 GDAA COc1cc(OC)nc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 95515271 CSKFDYXUKBWZAG-WCQYABFASA-N 375.454 1.578 0 50 GDAA CN1CC[C@@]2(CCC1=O)CN(Cc1ccccc1OCC(=O)O)CCN2C 95379898 YWQMQYXZMYSPLV-FQEVSTJZSA-N 375.469 1.279 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nccn4CC(N)=O)C3)n[nH]2)o1 95524079 QDAUBJRVZUNZFL-ZDUSSCGKSA-N 382.424 1.680 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)CC2 95512055 NKPZRBLSLYFMOX-CQSZACIVSA-N 378.498 1.054 0 50 GDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C(=O)O 254385712 RRTPKTHDIVIAMI-VMUVTPPXSA-N 382.453 1.385 0 50 GDAA O=C(O)CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299769670 RDGYQOPKUHUPBY-QGZVFWFLSA-N 380.416 1.371 0 50 GDAA O=C(CN1CCCCCC1)N1CCC2(CC1)CN(C(=O)c1cc[nH]c1)CCO2 827921301 MPPRGOLNMJTGDK-UHFFFAOYSA-N 388.512 1.724 0 50 GDAA O=C(NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@H]2Cc2ccccc2)CC1 1875265257 YKBOQOXUPMNXNE-NHCUHLMSSA-N 399.535 1.552 0 50 GDAA COc1ccc([C@H](CO)CNC(=O)CCc2c(C)ncnc2O)cc1OC 1875260370 BPLGMOYHQRWBJR-AWEZNQCLSA-N 375.425 1.333 0 50 GDAA CC(C)N1C(=O)CC[C@H]1C(=O)NC1(C2CN(C(=O)C3SCCS3)C2)CC1 1875347820 TWTIFOZLUTXEJZ-ZDUSSCGKSA-N 397.566 1.299 0 50 GDAA O=C(Cc1cccc(N2CCCC2=O)c1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875401458 YRBJVPFJAHHAGT-BHIYHBOVSA-N 382.464 1.508 0 50 GDAA O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1n[nH]c2c1CCCCC2 888088953 ZJZWPEWNACZADL-CVEARBPZSA-N 395.507 1.689 0 50 GDAA Cc1nc(-c2ccc(C(=O)N3[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)cc2)n[nH]1 1775960916 MQAJSSPAUMHCTE-BZSNNMDCSA-N 395.463 1.775 0 50 GDAA COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 170086655 WTHWPGRFMHOSDC-BXNZUYAZSA-N 394.512 1.767 0 50 GDAA CO[C@](C)(C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)c1ccccc1F 170613614 MAADSKKUYZPJDY-UZLBHIALSA-N 387.411 1.668 0 50 GDAA CC1(C)CN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)C[C@]2(CCOC2)O1 1325004651 SUWFEOYEOVFHCB-IBGZPJMESA-N 394.493 1.233 0 50 GDAA CC[C@H](NCc1nnnn1CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 191032030 WGUUTABMYUCJNM-NSHDSACASA-N 378.380 1.124 0 50 GDAA CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 192938800 XIVXIFMDAQKXDC-CQSZACIVSA-N 395.916 1.855 0 50 GDAA CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccccc2)s1 193343746 KXWBAWDHDHQPEA-CQSZACIVSA-N 392.502 1.790 0 50 GDAA O=S(=O)(NCCn1cncn1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506422019 ZJBTVAFSJLCDCU-UHFFFAOYSA-N 376.320 1.259 0 50 GDAA O=C1CCC(CCC(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)=NN1 1529172849 JKHQITQMVQNAIK-RBUKOAKNSA-N 396.491 1.897 0 50 GDAA O=C(NCc1ccc(CO)cc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529191700 CFFMDHKDBDZTHX-UXHICEINSA-N 381.432 1.321 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCCNC3=O)CC1)OCC2 1704342760 DJYYTIKPFCWWKE-OAHLLOKOSA-N 388.464 1.620 0 50 GDAA CC(=O)OCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 5093017 KMRAZUMATFLMEZ-NTEUORMPSA-N 386.360 1.459 0 50 GDAA Cc1cnc(C(=O)N2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cn1 1772700586 AUXKWHRXAZAEMB-UHFFFAOYSA-N 382.420 1.431 0 50 GDAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1 12469915 UCNAVUWTIRKOMM-MRXNPFEDSA-N 375.469 1.498 0 50 GDAA O[C@H]1CCCN(C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)C1 12590638 MYCJNIJLKZUOMX-HNNXBMFYSA-N 387.488 1.793 0 50 GDAA O=C(NCCc1nnc2n1CCN(CC1CCCCC1)CC2)[C@H]1CCCO1 14995077 DLPCGAJVEMRYJY-QGZVFWFLSA-N 375.517 1.554 0 50 GDAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1C 14995569 MOXCMZKBMJCNAS-KRWDZBQOSA-N 387.484 1.544 0 50 GDAA O=S(=O)(c1ccc2nc(O)oc2c1)N1CCOC[C@H](CN2CCCC2)C1 1857710531 BUCYGKHQUSHAHY-CYBMUJFWSA-N 381.454 1.266 0 50 GDAA CC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857716570 DCDJRPBTWRMTNZ-CADBVGFASA-N 391.899 1.981 0 50 GDAA CC(C)C[C@H](N)c1nc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cs1 1857729316 DDYDFDCVVSLXKX-AJNGGQMLSA-N 382.530 1.143 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCOCc3ccccc3)CC2=O)s1 1857735986 XPFNEYVUEDZTRI-AWEZNQCLSA-N 390.465 1.370 0 50 GDAA CC(C)C[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)c3cn(C)cn3)CC(=O)N21 1857739658 ZJJBHXVVEOTROV-ZOBUZTSGSA-N 389.500 1.032 0 50 GDAA N#Cc1cccc(CN2CCN(C(=O)c3ccccn3)[C@H]3CS(=O)(=O)C[C@H]32)c1 213217226 DNOSWNONSMDMON-MOPGFXCFSA-N 396.472 1.077 0 50 GDAA CC1(C)CO[C@H](c2ccccc2Cl)CN1CCS(=O)(=O)CC(=O)O 262311321 NXICPXCKQLYOPW-AWEZNQCLSA-N 375.874 1.991 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H](OCC(F)(F)F)C1 1251162812 YMUAOJSWZRPDPU-GFCCVEGCSA-N 376.379 1.341 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(OCCC(C)C)c(C(N)=O)c2)CC1 35741596 BQYXICMVZCRRTG-UHFFFAOYSA-N 383.514 1.537 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n([C@H](C)CC)c(C)c(C)n23)n(C)c1=O 8725391 WOHSDGMAEYBXTR-SNVBAGLBSA-N 375.429 1.300 0 50 GDAA O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1C[C@]23CC[C@]2(COC3)C1 2325766605 FKPUVIQZTCQNBJ-KDURUIRLSA-N 388.445 1.246 0 50 GDAA CSCCCC(=O)N[C@H](C(=O)N1CCc2cc(C(N)=O)ccc21)C(C)C 2325805960 IMNWYJQXDFBBRL-KRWDZBQOSA-N 377.510 1.959 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2cncc(F)c2)C1 2325810488 NCZIODNXECUVDV-MEDUHNTESA-N 376.413 1.267 0 50 GDAA CCc1ccc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)nc1Cl 2325817937 GIZZXJFJJJBVSC-UHFFFAOYSA-N 380.832 1.679 0 50 GDAA CCOC(=O)[C@]1(CC(C)=O)C[C@H]2C(=O)[C@](CC(C)=O)(C(=O)OCC)C[C@@H]2C1=O 6758327 JWJRVIQMIBCLPI-RYMBOPBQSA-N 394.420 1.222 0 50 GDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O 247043449 YATZNGBQPYMYGG-RLLQIKCJSA-N 385.508 1.919 0 50 GDAA COc1ccc(CN2CCC(C)CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 23359586 ZNZXSFZBPGEGIP-FQEVSTJZSA-N 391.556 1.914 0 50 GDAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCCOc1ccccc1 20204351 SNVLSHJPUAHSTJ-UHFFFAOYSA-N 392.463 1.427 0 50 GDAA c1ccc2nc(N3CCC(n4cc(CN5CCNCC5)nn4)CC3)cnc2c1 23159150 ZEJZYJGISULTJC-UHFFFAOYSA-N 378.484 1.468 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCc3noc(C)n3)C2=O)c1 67872176 MYTRBDGFRDDALK-SFHVURJKSA-N 378.404 1.169 0 50 GDAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)s1 23251737 KUUSYTLRZPSXMX-CYBMUJFWSA-N 383.433 1.316 0 50 GDAA O=C(c1ccccc1N1CCS(=O)(=O)CC1)N1CCO[C@@H](C(F)(F)F)C1 71422278 VZGZTROSYIFYDO-CQSZACIVSA-N 392.399 1.325 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1C(=O)O 282155059 FZKZTZQHKVCYLM-OAHLLOKOSA-N 396.509 1.680 0 50 GDAA CCOCCOc1cccc(C(=O)N2CC3(CCNCC3)C[C@H]2C(=O)O)c1 72168598 ISARWHHOERFGAG-KRWDZBQOSA-N 376.453 1.771 0 50 GDAA NC(=O)[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 368403323 BSTIDJFIGCNYJH-HUUCEWRRSA-N 396.285 1.345 0 50 GDAA CC(=O)NCCN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72133542 ORHHQZNRCUUTIR-LJQANCHMSA-N 388.512 1.133 0 50 GDAA O=S(=O)(c1ccccc1)N1CCn2nc(CN3CCC[C@H](O)C3)cc2C1 72458533 LDGDDERZWYIIJH-KRWDZBQOSA-N 376.482 1.044 0 50 GDAA CCc1nnc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)o1 71758933 MAVRGAZALDHTFU-HNNXBMFYSA-N 379.505 1.071 0 50 GDAA CC(C)[C@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)CCCN1Cc1ccc(F)cc1 71760173 VAYCMGRQZDSVFK-MRXNPFEDSA-N 375.448 1.539 0 50 GDAA O=C(CN1CCCS1(=O)=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 285637724 DDIFPTGXOXDCEN-LJQANCHMSA-N 377.510 1.147 0 50 GDAA CCc1noc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 82097932 HTNASEOGZAMHOU-INIZCTEOSA-N 375.517 1.931 0 50 GDAA Cc1c(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)nnn1-c1ccn(C)n1 292771525 QCBYCEBAVXYZLQ-UHFFFAOYSA-N 393.451 1.344 0 50 GDAA O=C(Nc1ccnn1Cc1cccnc1)N[C@H]1CCCN(c2cnccn2)C1 97463642 CTDSPELXUITJPY-INIZCTEOSA-N 378.440 1.907 0 50 GDAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239426016 VPLJMMJJRRNISS-UMCUTINXSA-N 382.416 1.997 0 50 GDAA Cc1csc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)n1 91819930 JXXYWJDPFXEMII-HZPDHXFCSA-N 399.582 1.315 0 50 GDAA CCN1CC2(CCN(C(=O)[C@H]3CC(=O)Nc4ccc(OC)cc43)CC2)CC1=O 95506008 GZVXRLCZYVFDCI-INIZCTEOSA-N 385.464 1.982 0 50 GDAA CCc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)s1 91326730 DIXQJUAHURNAEX-UHFFFAOYSA-N 382.511 1.602 0 50 GDAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 95384919 ORADARFUKTZWLE-QZTJIDSGSA-N 383.492 1.879 0 50 GDAA O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1 95356131 URANAWGRNMQCEG-OAHLLOKOSA-N 377.491 1.795 0 50 GDAA CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)c3ccc(F)cc3O)C2)CC1 95496790 BHTQYAYMDIDHPM-OAHLLOKOSA-N 377.460 1.938 0 50 GDAA O=C(NCCn1cccn1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 253404585 HWXZERATGXNUIU-UHFFFAOYSA-N 382.873 1.897 0 50 GDAA CCN(C)C[C@H](C)CNC(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1 534583267 PHQVIWJZGLYRTF-MRXNPFEDSA-N 376.501 1.637 0 50 GDAA O=C(NCc1csc(-c2cnccn2)n1)c1cn(CC[C@H]2CCCCN2)nn1 828222909 VMILMORZRDYABI-CYBMUJFWSA-N 398.496 1.654 0 50 GDAA CN(C)c1ncc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1 827946626 QMWQCPDXSIRAEG-GQCTYLIASA-N 395.463 1.629 0 50 GDAA COCCn1nnc2c1C[C@@H](c1nc(C3(NC(C)=O)CCCCC3)no1)CC2 952893573 HXDPYHXRFVPPRN-AWEZNQCLSA-N 388.472 1.876 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(c3nccc(-c4ccc(F)cc4)n3)CC2)NC(=O)N1 952894187 QJYVQIXPBNWECP-INIZCTEOSA-N 397.410 1.587 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)Cc3cnn(C)c3)C2)c1C 1875398028 XSBJVSBTRSZSIC-SUMWQHHRSA-N 385.516 1.328 0 50 GDAA COCc1ccccc1/C=C(\C)CNC[C@H]1C[C@@H](O)CN1c1cc(N)ncn1 1875397786 NWVBDKZEBLTBHI-LLCIJCKFSA-N 383.496 1.838 0 50 GDAA O=C(NC[C@H]1CC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)CC1)c1ccoc1 1875342085 XASDVKQIKDKTEI-SHTZXODSSA-N 396.509 1.757 0 50 GDAA CCOc1ccccc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O 268939802 DPCJONSOEUWHQS-UONOGXRCSA-N 376.409 1.140 0 50 GDAA Cc1nonc1CC(=O)N1CCC(CNC(=O)[C@H](C)Oc2ccccc2)CC1 952987129 JOJZSKYMVAZATE-HNNXBMFYSA-N 386.452 1.743 0 50 GDAA NC(=O)N[C@H](CO)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 270788926 LNJDVJXXGHYHCN-VXGBXAGGSA-N 380.203 1.062 0 50 GDAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccn2c(=O)[nH]nc12 277404676 SNHPQPOLJUIDDR-MRXNPFEDSA-N 381.436 1.044 0 50 GDAA C[C@H]1CCc2c(sc3nc(CCC(=O)NCC(F)(F)CN)[nH]c(=O)c23)C1 190320034 SUPLKYLBEBJXRZ-VIFPVBQESA-N 384.452 1.752 0 50 GDAA COc1ccccc1/C=C/CN1CCN(C(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1073391694 PIOJROAOXCOZKR-WRBKUFGZSA-N 393.509 1.173 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCC(N3CCN(CCO)CC3)CC2)cc1F 1506409974 QCIOWNDANSEUCT-LJQANCHMSA-N 395.475 1.034 0 50 GDAA CC(C)N1C[C@H](NC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC1=O 1704314148 QBGPPSIEJHRRKR-MRXNPFEDSA-N 398.463 1.917 0 50 GDAA CCc1ccccc1NC(=O)N1C[C@H]2CN(Cc3ncnn3CC)C[C@]2(CO)C1 1772809968 BFODXKZSYVNJHC-DYESRHJHSA-N 398.511 1.819 0 50 GDAA O=C(O)c1cccnc1N1C[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@]2(CO)C1 1772815760 VMYWLJYQNPNTOU-VGOFRKELSA-N 395.459 1.645 0 50 GDAA CN(C[C@@H]1COCCO1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12612958 YHWUYDFCLDMXAL-QGZVFWFLSA-N 399.407 1.322 0 50 GDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc(Cl)cc1 13548424 REIOKMONQGHFHF-CABCVRRESA-N 378.860 1.294 0 50 GDAA CC(C)=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CN3CCOC3=O)C2)C1 1857683863 OXHGWTQXFMGZOK-YLJYHZDGSA-N 379.501 1.470 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)CC2 1857713651 APSCODPDUBBRAA-UHFFFAOYSA-N 395.463 1.345 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCc3c(C)cc(C)nc3OC)CC2=O)s1 1857735273 AVIJJAKGJFIYDY-LBPRGKRZSA-N 389.481 1.790 0 50 GDAA Cc1ccnn1CC(=O)N1CCC[C@@]2(CO)CN(C(=O)c3ccoc3)CC[C@H]12 216998226 RFNKLAPSEUNFHI-PXNSSMCTSA-N 386.452 1.300 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cn3)ccc2O1 116601296 ZYEGNIGUHVXMNG-CQSZACIVSA-N 388.493 1.958 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 1704340852 VLTVTSQXFHAHCD-MSOLQXFVSA-N 377.448 1.685 0 50 GDAA CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C(C)(C)C)c2)C1 2325772281 PGYKQCFXHWRPFS-OAHLLOKOSA-N 376.482 1.894 0 50 GDAA CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1 780752 MPNKZGWKGINBSW-UHFFFAOYSA-N 398.282 1.781 0 50 GDAA O=S(=O)(NNC(=S)NC[C@@H]1CCCO1)c1cc(Cl)ccc1Cl 1117841 GLLOYGACMYFXBU-VIFPVBQESA-N 384.310 1.830 0 50 GDAA COc1cc(-c2ccc(C(=O)N3CCO[C@H](C(=O)N(C)C)C3)cc2)c(=N)[nH]c1C 2356140361 GBGJIHHZUUJQGE-SFHVURJKSA-N 398.463 1.407 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCN(C)C4(CCOCC4)C3)cn12 2356144261 PIAKTUAUZUOBSE-QGZVFWFLSA-N 387.484 1.356 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1cccc(Cl)c1 2814199 XLTYJBRXEVMHFD-UHFFFAOYSA-N 397.840 1.440 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cccc(S(C)(=O)=O)c4)C[C@@H]13)O2 2356151809 AMWIKCGOKGGPDK-DFEOGRTESA-N 378.494 1.271 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3ccc(-n4cncn4)cc3)cn12 2356168282 XFAZUABITKAZKH-GOSISDBHSA-N 391.435 1.929 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)COC)C2)cc1 4488417 AVHHFZXYYKTGPG-LSDHHAIUSA-N 384.498 1.637 0 50 GDAA O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 4749738 GBSOWUBMSCPUOD-UHFFFAOYSA-N 398.440 1.940 0 50 GDAA COc1ccc(OC)c(NC(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c1 23478818 UDGCQVSCOPVLJW-CYBMUJFWSA-N 387.440 1.446 0 50 GDAA O=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCCN1CCOCC1 20994318 ZECAAXIESSZCOD-KRWDZBQOSA-N 391.537 1.594 0 50 GDAA COCCN1C[C@@H](CNc2nc(CCN)nc3sc(C)c(C)c23)CC1=O 65380894 ZIEKIGRNYCDXKE-CYBMUJFWSA-N 377.514 1.716 0 50 GDAA CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 120862168 MYDZSGYBTDNIMX-IRXDYDNUSA-N 376.501 1.417 0 50 GDAA O=C(O)c1cn(C[C@@H]2CCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)nn1 67954902 VCVSGJBJHMVNHE-CYBMUJFWSA-N 380.408 1.919 0 50 GDAA COc1cccc(-c2cn3c(C(=O)N4CCO[C@H](C(N)=O)C4)csc3n2)c1 67784559 GJFJGGKSPCXFEO-HNNXBMFYSA-N 386.433 1.398 0 50 GDAA Cc1nc(-c2cccc(S(=O)(=O)N3CCn4nc(C(=O)O)cc4C3)c2)no1 65371588 OPNIEDAHMBSFRB-UHFFFAOYSA-N 389.393 1.144 0 50 GDAA Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 328629733 PCOUZEXEEYCSGD-VIFPVBQESA-N 386.275 1.164 0 50 GDAA Cc1ccc(CCC(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)o1 328631539 KOWNUWBAFJTKMH-INIZCTEOSA-N 387.484 1.815 0 50 GDAA COc1cc([C@@H](NC(=O)NCC(=O)N(C)C)C(F)(F)F)cc(OC)c1OC 482414499 MXWCRZLZKTVFFI-CQSZACIVSA-N 393.362 1.703 0 50 GDAA Cc1cc(=O)n(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC(C)C)C2)nc1C 72474161 TULJUOQINRXYRS-ZWKOTPCHSA-N 388.512 1.746 0 50 GDAA CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 363171883 DXJVMNMKCOJLQL-CQSZACIVSA-N 393.513 1.896 0 50 GDAA Cn1cc(C[C@@H]2CCN(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)cn1 363655056 AHYXOTMGPUZIBU-DOTOQJQBSA-N 395.463 1.722 0 50 GDAA CSc1ccc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cc1 219072258 FKUYSVFCQJISRS-KRWDZBQOSA-N 381.523 1.699 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CN2CCOC2=O)CC1 14970600 DPXYGLNALAYWGD-KRWDZBQOSA-N 394.516 1.058 0 50 GDAA CCOCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77456187 OFGJAJQFMLDOJG-UHFFFAOYSA-N 396.494 1.569 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC1Cc2ccccc2C1 13593288 XSJCGFCLJIYHHY-FQEVSTJZSA-N 393.487 1.669 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3[C@@H]4CCO[C@@H]4[C@@H]3C3CCCC3)cc2o1 219601890 PDYPDRIRDRDVGS-IEAZIUSSSA-N 378.450 1.993 0 50 GDAA Cc1c(C(=O)NC2CCC(C(F)F)CC2)cnc2c1c(=O)n(C)c(=O)n2C 458179878 LQTQQPJRZHPKJK-UHFFFAOYSA-N 380.395 1.494 0 50 GDAA O=C([C@H]1CC2(CCNCC2)CN1)N1CCc2nnc(-c3ccccc3)n2CC1 72166001 JYASYJYTIBRKSK-QGZVFWFLSA-N 380.496 1.062 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cnc2c(c1)CCC2 426726962 WOWAILKMOQCFIT-FQEVSTJZSA-N 396.466 1.716 0 50 GDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCCN(Cc2ccncc2)CC1 426380168 UDUNKYHZLDBIHY-IBGZPJMESA-N 382.464 1.995 0 50 GDAA COC[C@H](O)CN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426552162 YRSRJQSITNCKDK-CQSZACIVSA-N 393.509 1.991 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C)c2c(C)nn(C)c2n1 95506541 JXQSYPBGQCOSDX-UHFFFAOYSA-N 393.495 1.928 0 50 GDAA COc1ccccc1CN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCC1 426705933 WXTRWQBHKKEQKR-INIZCTEOSA-N 398.463 1.581 0 50 GDAA COCc1noc(C[C@@H]2CN(C(=O)Nc3cc(C(C)C)nn3C)CCO2)n1 96148809 PIBVKQGADVWZQP-GFCCVEGCSA-N 378.433 1.548 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1)c1ccco1 95506126 CLPHKVQBKXNYED-LBPRGKRZSA-N 386.433 1.631 0 50 GDAA CC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3nccn3C)c2)CC1 95363807 UKBIVGAYKFLXIV-UHFFFAOYSA-N 376.482 1.771 0 50 GDAA CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nn1 180783357 GRDZKPLWANZJTF-CQSZACIVSA-N 396.369 1.847 0 50 GDAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1 95504261 SNOCQROOARNDPJ-OAHLLOKOSA-N 386.481 1.628 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1C(N)=O)C2 95382894 FCUMVZKIXYEHFR-LZJOCLMNSA-N 388.512 1.524 0 50 GDAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N1CCN2CCNC(=O)[C@@H]2C1 97447020 PPVKYMMZWQQRET-KRWDZBQOSA-N 387.484 1.628 0 50 GDAA O=C(C[C@H]1CNCCO1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 91391483 ZHNHGDNRLVRAJS-SFHVURJKSA-N 379.460 1.907 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(C(=O)CCc1ccc3c(c1)OCO3)CCN2C 95512659 CZRFMKSAHAQNTF-OAQYLSRUSA-N 387.480 1.503 0 50 GDAA COc1ccccc1N1C[C@@H](NC(=O)c2cc(-c3cccn3C)n[nH]2)CC1=O 91965705 MSUOZODKQICFQX-ZDUSSCGKSA-N 379.420 1.959 0 50 GDAA Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 95504244 LICOFAUFDOHUAV-KRWDZBQOSA-N 388.512 1.398 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccccc2OC)C1=O 252538648 NCPPWPQRFRRFGN-CWRNSKLLSA-N 391.468 1.623 0 50 GDAA NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 299373294 FDJZIXGPFGZBFE-MRVPVSSYSA-N 391.243 1.033 0 50 GDAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(-c2nc[nH]n2)cc1 253412542 RHQQBCOEKGCGFP-INIZCTEOSA-N 390.403 1.941 0 50 GDAA biogenic NC(=O)C1CCN(CCCNC(=O)N2CCN(Cc3ccccc3)CC2)CC1 534631705 CYTRULZASMJYNS-UHFFFAOYSA-N 387.528 1.101 0 50 GDAA CNC(=O)NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263617457 NWTCSVALXIZQJP-SFHVURJKSA-N 388.447 1.582 0 50 GDAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3nc(O)n[nH]3)CCCCC2)cc1 670472326 HHVNGYABFCHIGM-UHFFFAOYSA-N 378.454 1.432 0 50 GDAA Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1C(N)=O 1443622776 YDVOLQUBYBFWCB-CRAIPNDOSA-N 399.422 1.376 0 50 GDAA C[C@@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)c1nc(C2CC2)no1 584884485 PPONHINKUGSODI-SNVBAGLBSA-N 376.417 1.076 0 50 GDAA Cn1cnc(CCCNC(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)n1 1875266449 PVIXKQHCZRTPKS-GFCCVEGCSA-N 377.474 1.265 0 50 GDAA CN(C)[C@@H]1CNC[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1 1875349559 BOOYKYJOFXLVIJ-ZBFHGGJFSA-N 383.452 1.451 0 50 GDAA CCS(=O)(=O)NCCCNc1ccc(C(F)(F)F)cc1S(N)(=O)=O 888095277 OGQPEWVFCGGIBT-UHFFFAOYSA-N 389.421 1.094 0 50 GDAA COC1(c2nccn2C)CCN(S(=O)(=O)C[C@H]2CCC3(CCC3)O2)CC1 1475638297 PVXQTOLYVGHCRY-OAHLLOKOSA-N 383.514 1.789 0 50 GDAA C[C@H](C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1)c1cccnc1 276500548 PJZZGLKXHCOAKO-YOEHRIQHSA-N 384.484 1.480 0 50 GDAA Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)s1 276624890 WTUPQOBFWHHGRF-CQSZACIVSA-N 390.513 1.668 0 50 GDAA Cn1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1=O 188975246 UQLHVGOJHWROTQ-INIZCTEOSA-N 375.375 1.585 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 771941526 SZLKNOHMKXQCMF-AWEZNQCLSA-N 376.390 1.516 0 50 GDAA Nc1nc(Cl)cc(NNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 790398211 PJMSZHAHBQCUHI-UHFFFAOYSA-N 397.766 1.959 0 50 GDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3OC)C[C@@H]21 1704335997 SHXJSLWARRPFGN-HNJNHCNJSA-N 382.482 1.356 0 50 GDAA Cc1ccc2c(c1)C(=O)N1CCCN(CC1)C(=O)CCCc1cn(nn1)CCO2 1704322678 OSPSZJYENOMDPT-UHFFFAOYSA-N 397.479 1.676 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cn4cccnc4n3)C1)CC2 1704345454 YQPDQNQZGZIDGA-FQEVSTJZSA-N 377.452 1.706 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2ccc(Cl)cc2n1C 1704339420 FNYSMBHVDGFINA-GXTWGEPZSA-N 399.900 1.468 0 50 GDAA Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@@]3(CN(C)C)C2)n1 1772808477 RLXJSSJGNQAEEK-DYESRHJHSA-N 397.527 1.276 0 50 GDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1772706716 PEVOGTSMPLZUQY-AWEZNQCLSA-N 393.509 1.354 0 50 GDAA CCOCCCN[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CC)C1 14752668 UDQZNRFJTQVEGJ-HNNXBMFYSA-N 380.558 1.966 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 14977398 GBIMEJINMNEXCR-INIZCTEOSA-N 395.525 1.308 0 50 GDAA CC1CCN(C(=O)C2=CC(c3ccc4c(c3)OCO4)=NS(=O)(=O)N2C)CC1 15673527 UMHLFJKQYHJBAL-UHFFFAOYSA-N 391.449 1.537 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857675695 HJSCOWBXTZDVJL-GOSISDBHSA-N 393.553 1.603 0 50 GDAA CCNC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N[C@@H]3CCOC3)sc12 1857692635 NMZTVZRNZXTZHA-CQSZACIVSA-N 393.509 1.860 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccccn2)C[C@H]1NC(=O)c1cn[nH]c1 1857694742 VTMJTMZSBMRIOC-BMGDILEWSA-N 385.468 1.815 0 50 GDAA O=C1CN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CCN1CCc1ccccc1 1857715452 RYSQHYYTGLMBOZ-INIZCTEOSA-N 398.488 1.410 0 50 GDAA CS(=O)(=O)c1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1 1857738220 XKYVPNFORZFOMI-IKGGRYGDSA-N 391.493 1.350 0 50 GDAA O=C(N[C@@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2 1875242286 QVRWYPANJAOCTB-MRXNPFEDSA-N 383.427 1.954 0 50 GDAA NC(=O)c1cn2c(n1)CCN(C(=O)Cc1csc(-c3ccccc3)n1)CC2 1875246137 IWNYVUNBZFPQMQ-UHFFFAOYSA-N 381.461 1.733 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2cc(N[C@H]3CCCO[C@@H]3C(C)C)ncn2)C1 328632623 LLRQPVDOVNHTFU-RVKKMQEKSA-N 397.545 1.610 0 50 GDAA O=C(c1ccc(F)cc1F)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247405382 OHBBBUVTMHSLDB-BUXKBTBVSA-N 378.375 1.750 0 50 GDAA CCOC(=O)c1c[nH]c(-c2ccc(Cl)cc2)nc1=N[C@H]1CCC(=O)NC1=O 1857797703 BFGZFHVMYCNFFB-ZDUSSCGKSA-N 388.811 1.613 0 50 GDAA COCc1cc(N2CCn3ncc([S@@](C)(=O)=NC(=O)C(C)C)c3C2)ncn1 2325784668 AZDLMLWTNYKEGB-HHHXNRCGSA-N 392.485 1.479 0 50 GDAA CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 2325806851 KSZZGRZPERSCAS-ZTFGCOKTSA-N 399.474 1.527 0 50 GDAA COCC(=O)N1CCC[C@H](NC(=O)c2c(N)c(C(F)(F)F)nn2C(C)C)C1 2325828265 CERVBJIFNURXMO-JTQLQIEISA-N 391.394 1.432 0 50 GDAA C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](NC(=O)c3n[nH]c4c3CCC4)c3nccn32)C1 2332237800 MDLLKRNJKQDAPG-UXIGCNINSA-N 380.452 1.163 0 50 GDAA Cc1nc(C)n(CCCNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n1 2356137257 VAWVWJYSBJSDGZ-UXHICEINSA-N 399.495 1.778 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC4(CC3)CN(C)CCO4)cn12 2356144697 JCTOECVSRRCCSV-QGZVFWFLSA-N 387.484 1.356 0 50 GDAA CCCCn1c(=O)n(Cc2ccccc2Cl)c2c1c(=O)n(C)c(=O)n2C 2817435 AIPROTHATVNFFB-UHFFFAOYSA-N 376.844 1.702 0 50 GDAA O=C1COc2cc(C(=O)N3CCc4nc(-c5cccnc5)nn4CC3)ccc2N1 2356169498 CYODAQMEZBPPSF-UHFFFAOYSA-N 390.403 1.370 0 50 GDAA CCOC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 6595216 QNVPFOSAJCQCTI-INIZCTEOSA-N 375.425 1.718 0 50 GDAA COCC1(C(=O)NCCc2ccnn2C)CCN(C(=O)OC(C)(C)C)CC1 225424590 JGYQKYXZCLZCET-UHFFFAOYSA-N 380.489 1.743 0 50 GDAA CCOCCn1c(=O)n([C@H](CC)C(=O)NC(C)(C)C)c2cc(C(=O)O)cnc21 55100038 LHHOQUBKYDLLTD-CYBMUJFWSA-N 392.456 1.799 0 50 GDAA Cn1nc(C2CCN(c3ncccc3C(N)=O)CC2)n(-c2ccccc2)c1=O 67784124 YHJOIDGRPQJUQY-UHFFFAOYSA-N 378.436 1.449 0 50 GDAA C[C@@H]1c2[nH]c3ccccc3c2CCN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 229531118 MCPOIIYUEHXJFD-YJYMSZOUSA-N 375.494 1.780 0 50 GDAA NC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1 1060862 IJSMKAZQNPLDQU-UHFFFAOYSA-N 394.391 1.026 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C(C)C)no3)C2)cn1 328612993 QOEVQUGJVMSNFH-INIZCTEOSA-N 382.442 1.269 0 50 GDAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1 35804716 SJFPJWRZNBVCOR-UHFFFAOYSA-N 394.884 1.680 0 50 GDAA O=C1[C@H](N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCNCC2)CCN1c1ccccc1 333760928 CQBQARBDIOPPOR-GBESFXJTSA-N 383.496 1.012 0 50 GDAA CC(C)c1nnc(/C=C/C(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)o1 372260703 JLMUQLVJISCPID-NPQIQWPPSA-N 395.419 1.917 0 50 GDAA COC(=O)C(C)(C)NC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712010 JIFUJMJWAWVIFI-ZDUSSCGKSA-N 377.441 1.044 0 50 GDAA C[C@@H](CN1CC2(CCN(C(=O)Cn3cncn3)CC2)OC1=O)c1ccccc1 77358454 WWJKZXIGHTZQNU-INIZCTEOSA-N 383.452 1.895 0 50 GDAA O=C(c1c[nH]nc1C1CCCCC1)N1CCOC[C@](O)(CN2CCCC2)C1 77340357 GSERWZBAPFSBTG-FQEVSTJZSA-N 376.501 1.757 0 50 GDAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 263299716 GKTFTBRQUACDAV-OCCSQVGLSA-N 375.404 1.718 0 50 GDAA O=C(O)c1csc(CCNC(=O)N2CCOc3ccc(CO)cc3C2)n1 426538684 XBSZWNRWDSVEOB-UHFFFAOYSA-N 377.422 1.480 0 50 GDAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2ccccn2)CC1 49544674 CJLHSSBWYDXPKA-UHFFFAOYSA-N 381.461 1.716 0 50 GDAA C[C@H](Oc1ccccc1-c1ccc(C(=O)N2CCN(C)C(=O)C2)cc1)C(N)=O 426673970 CCEWQMMTFOPQLQ-AWEZNQCLSA-N 381.432 1.520 0 50 GDAA COc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1Br 41095888 BYARGECIOOGXMT-UHFFFAOYSA-N 378.244 1.943 0 50 GDAA CCOC(=O)N1CCC(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)CC1 220096977 IMKILSUIKSPNRI-KRWDZBQOSA-N 388.472 1.135 0 50 GDAA COc1cc(CN2C[C@@H](CN3CCCN(C)CC3)[C@@H](CO)C2)cc(OC)c1 91468656 BHEXWVJPMMVOMN-RTBURBONSA-N 377.529 1.382 0 50 GDAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 95498581 NUTWLYNLHONMCK-INIZCTEOSA-N 386.452 1.550 0 50 GDAA Cc1nccn1-c1ccc(CNC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)cc1 426361291 NVNUAIXEIYERJG-FQEVSTJZSA-N 383.452 1.323 0 50 GDAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)Cc3n[nH]c(=O)[nH]3)C2)cc1 95509332 SAQFOBUEYZUHTI-MRXNPFEDSA-N 387.484 1.062 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)cc2)n1 95530759 LUEOJIQYIKRRCT-DYESRHJHSA-N 391.431 1.488 0 50 GDAA O=c1ccc(-c2nc(Cc3cccs3)nn2[C@@H]2CCS(=O)(=O)C2)c[nH]1 95527627 QSKZYLJKDAIATO-GFCCVEGCSA-N 376.463 1.645 0 50 GDAA CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91416863 GWSXCTWIXRUDRN-INIZCTEOSA-N 393.557 1.264 0 50 GDAA COCC(=O)N1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2Cl)CC1 95504652 WBQGSPUKJCVAMF-UHFFFAOYSA-N 383.832 1.839 0 50 GDAA Cc1nc(N2CCC(NC[C@@H]3CCS(=O)(=O)C3)CC2)c2ccsc2n1 96137509 YDKMDXGTXKNYCK-ZDUSSCGKSA-N 380.539 1.993 0 50 GDAA COc1ccc2c(c1)OC[C@H](CNC(=O)Cn1cnc3ccccc3c1=O)C2 95517725 SBYKCDMYMMEFMN-AWEZNQCLSA-N 379.416 1.773 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)o1 95504688 YAOLAQDRDWXGAG-KRWDZBQOSA-N 376.453 1.876 0 50 GDAA CCn1cc(CNS(=O)(=O)c2cccc(C(=O)N3CCSCC3)c2)cn1 95379943 VAMYEQUOQMXIKM-UHFFFAOYSA-N 394.522 1.571 0 50 GDAA O=C(CCn1ccccc1=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 96139606 LGESSVIUWARQEM-HRAATJIYSA-N 382.416 1.403 0 50 GDAA COCCn1c(CN2CCN3CCC[C@H]3C2)cnc1S(=O)(=O)CC(C)(C)C 244742005 OAKHOZXXVTWQTP-INIZCTEOSA-N 398.573 1.629 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1nnc2ccccn12 252571471 XYHVPYGXODTGQR-CQSZACIVSA-N 378.392 1.061 0 50 GDAA Cc1nc[nH]c1CSCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 534592639 AOZCNZIUBQCDTM-INIZCTEOSA-N 391.472 1.973 0 50 GDAA NC(=O)c1ccc(OCCCN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1 299798094 PGVDQDYKESYGIS-KRQVXIAISA-N 390.480 1.043 0 50 GDAA Cn1c(C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc(=O)n(C)c1=O 828407467 USNLLKZLLHVTGG-QFIPXVFZSA-N 399.491 1.731 0 50 GDAA Cc1nc2ccc(CNC(=O)N3CCC(c4nnc(CO)n4C)CC3)cc2[nH]1 670458545 XFWQPDDVNWZOJX-UHFFFAOYSA-N 383.456 1.581 0 50 GDAA CN(C)C(=O)[C@@H]1c2cnn(C)c2CCN1C(=O)c1cncc(OCC(F)F)c1 1875394336 FVSGANWPVYBDNJ-INIZCTEOSA-N 393.394 1.287 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2cc(-c3ccccc3)n[nH]2)ncn1 1875397769 NDFDQMMXQSCWOU-QZTJIDSGSA-N 393.495 1.662 0 50 GDAA COc1cccc(OC)c1CC(=O)N1C[C@H]2C[C@H]1[C@@H]2c1ocnc1C(=O)N(C)C 1875394493 KEILNCSLMDYURQ-UVBSCNOISA-N 399.447 1.951 0 50 GDAA CC(=O)NCC12CC(C(=O)NCC[C@@]3(C)CC3(F)F)(C1)C1(CCNCC1)O2 1875393051 FARBHFIGOGUGHO-GTPINHCMSA-N 385.455 1.346 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1O 1875401301 IDSJGZQKGIVUCB-CZUORRHYSA-N 391.859 1.164 0 50 GDAA COc1cc2c(cc1CNC(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)OCCO2 952977483 VRAFKKOVUWGRDR-OAHLLOKOSA-N 397.431 1.526 0 50 GDAA O=C(NCc1cn(C[C@@H](O)c2ccc(Cl)c(F)c2)nn1)C1CCNCC1 881416525 COKNPVRXYNPRKB-MRXNPFEDSA-N 381.839 1.420 0 50 GDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)CC3(O)CCCC3)C4)C[C@H]2C1 1775960707 DHFJWCBARDAYIX-CALCHBBNSA-N 385.512 1.054 0 50 GDAA CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCn4nc(C5CC5)cc4C3)ncn2)C1 896218219 DMMADZIIALOAKD-WMZOPIPTSA-N 397.527 1.726 0 50 GDAA COc1cccc(CN2CCN(C(=O)C3CCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 1565515693 PTOAZIXFPWESKE-MSOLQXFVSA-N 378.494 1.305 0 50 GDAA CC(C)n1ncc2c1[C@H](NC(=O)CCc1nc(O)c3cnn(C)c3n1)CCC2 1320254816 RJGQGLRQEGEWDF-CQSZACIVSA-N 383.456 1.973 0 50 GDAA COCCn1cnnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 170620629 KMRIMHDZQVXFLE-UHFFFAOYSA-N 375.454 1.548 0 50 GDAA O=C(NCCc1cn2ccccc2n1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 279289479 USZQLVMOIRQCKD-MRXNPFEDSA-N 391.497 1.086 0 50 GDAA O=C(Nc1cccc(OCCn2cncn2)c1)[C@H]1COCCN1CC1CCC1 188215171 KIWDVPRBBMOXMA-LJQANCHMSA-N 385.468 1.797 0 50 GDAA C[C@@H](C(=O)N1CCn2c(CCc3ccccc3)nnc2C1)N1CCN(C)CC1 744600012 KINHQDGLXFGTRS-KRWDZBQOSA-N 382.512 1.041 0 50 GDAA C[C@H](NC(=O)CN1CCCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 1506419886 LFYPAMLCOHEMMS-KRWDZBQOSA-N 394.541 1.212 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)C[C@H]1O 1529186883 MGDCEZBXBBMBHX-RBUKOAKNSA-N 375.494 1.433 0 50 GDAA O=C(O)c1n[nH]cc1CN1CCCN(C(=O)Cc2cccc(F)c2F)CC1 1800409974 MQKNWTAYNCKXRW-UHFFFAOYSA-N 378.379 1.663 0 50 GDAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cnc(SC)nc3)CC[C@@H]21 216693088 YMHZOZKQUCUWSC-HIFRSBDPSA-N 378.498 1.688 0 50 GDAA CCn1ncnc1CN1C[C@@H]2CN(c3nccs3)C[C@@]2(CCC(=O)O)C1 1772819400 TWVWEKCRFJZFNT-CXAGYDPISA-N 376.486 1.558 0 50 GDAA CCn1cc(C(=O)N2C[C@H]3CN(CC(=O)O)C[C@@]3(CCc3ccccc3)C2)cn1 1772819896 WWKVWANSQHUFON-KNQAVFIVSA-N 396.491 1.994 0 50 GDAA COc1ccc(S(=O)(=O)NNC(=S)NCc2ccc(F)cc2)c(OC)c1 5041823 MIAIZHTTYSBKKF-UHFFFAOYSA-N 399.469 1.701 0 50 GDAA Cc1ccccc1Cn1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 12193157 GFPFAAMTUJMXCW-SFHVURJKSA-N 397.479 1.346 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1 12300702 SHSSPTQJFYIOEA-FQEVSTJZSA-N 387.524 1.695 0 50 GDAA O=C(CCn1cncn1)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1 14532231 JNOPMAAXFOTWFM-IBGZPJMESA-N 397.479 1.334 0 50 GDAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 14538175 SFXKVVOLECTCMV-CQDKDKBSSA-N 376.844 1.744 0 50 GDAA CCN(CCn1cccn1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 15064071 XAMRLMMUMSBKHA-INIZCTEOSA-N 381.502 1.184 0 50 GDAA COc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)cn1 1857666580 WYLHEMWVYDPAIP-UHFFFAOYSA-N 390.421 1.448 0 50 GDAA CC(=O)NCCC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857695528 NDUQEUYZKZTNKU-OAQYLSRUSA-N 395.463 1.577 0 50 GDAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccccc3OC(F)(F)C(F)F)C[C@@H]21 1857697492 BBSXRRGUZWNAPW-AAEUAGOBSA-N 390.333 1.995 0 50 GDAA Cc1ccc(CC(=O)NC[C@H]2[C@H]3CN(CC(=O)NC(C)C)C[C@]34CC[C@H]2O4)cc1 1857726262 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OC[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 33854099 XVYLNHVEAOOEGI-PLWIEXRSSA-N 397.556 1.149 0 50 GDAA in-vitro CCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O 225486561 UZGUTKPTLFJCBE-AWEZNQCLSA-N 385.442 1.082 0 50 GDAA COc1ccc(-c2nc(Cc3noc(CN4CCCS4(=O)=O)n3)co2)cc1 113708900 KDNBVFVUHBOGPP-UHFFFAOYSA-N 390.421 1.860 0 50 GDAA Cc1[nH]c2c(c1C(=O)N1CCC[C@@H](Cn3cc(C(=O)O)nn3)C1)C(=O)CCC2 67514817 OSINMASKPVBWBL-GFCCVEGCSA-N 385.424 1.684 0 50 GDAA Cn1c(=O)nc(O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2C 10963056 ILCDERDEFDAFHI-UHFFFAOYSA-N 375.186 1.450 0 50 GDAA Cc1cnc(C)c(N2CCC(Cn3cc(CN4CCC(N)CC4)nn3)CC2)n1 23311524 YJHTWIKOVUXZIP-UHFFFAOYSA-N 384.532 1.525 0 50 GDAA CNC(=O)COc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 478645569 SVIZNGIKJCGLJF-UHFFFAOYSA-N 399.403 1.217 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccn1 12448537 BAGHUKRQPJUHNX-IBGZPJMESA-N 396.491 1.530 0 50 GDAA CC(=O)NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1 34650309 YLWDRZMLYRIMNV-VIFPVBQESA-N 378.141 1.892 0 50 GDAA O=C(CCSCc1ccc(F)cc1)N1CCN(c2ncc[nH]c2=O)CC1 218959440 JNBNJPIZIAHOBN-UHFFFAOYSA-N 376.457 1.881 0 50 GDAA COc1nc2c(cc1CNC(=O)c1ccn(C)c(=O)c1)C(=O)N(C1CCCC1)C2 71756872 UKCQAJIOIGMGAR-UHFFFAOYSA-N 396.447 1.617 0 50 GDAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCO3)cc2)CC1 15074449 UMIOCPOBTWGIOE-UHFFFAOYSA-N 383.470 1.114 0 50 GDAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1cnn[nH]1 426420821 UDROPAAMCYQKPA-UHFFFAOYSA-N 388.431 1.464 0 50 GDAA O=C(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1C[C@@H](CO)[C@H](CO)C1 426422015 QTKABLUEAXUSDL-ROUUACIJSA-N 379.420 1.207 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)cc1 426548783 MNEJKNCQMHVOLV-GOSISDBHSA-N 381.440 1.158 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H]3CCN(C)C3=O)csc2C1 426551811 MUHVQLVXJSFRIO-INIZCTEOSA-N 388.493 1.872 0 50 GDAA Cc1ccc(S(=O)(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)cc1C 426697575 RXCCHKPLWNEVOQ-UHFFFAOYSA-N 390.509 1.977 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)Cn1cnc3ccccc3c1=O)CC2 92078324 DUZXOCGKWXVNCQ-UHFFFAOYSA-N 392.463 1.125 0 50 GDAA COc1ccc(C(=O)CCC(=O)N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)O)C2)cc1 426581318 RXKSOTUSFMAWMU-YWZLYKJASA-N 388.420 1.050 0 50 GDAA Cc1cc(NC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n(C2CCCCC2)n1 97716943 FYEHTWMZTAIQKK-LSDHHAIUSA-N 381.502 1.299 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C[C@H]2CCCO)CC1 91289006 ZBYWHMMYVAYEKD-CTNGQTDRSA-N 385.552 1.955 0 50 GDAA Cc1nn(CC(=O)NCCc2noc([C@H]3CCCO3)n2)c(=O)c2ccccc12 91620229 QBWGBRARPDOWRP-OAHLLOKOSA-N 383.408 1.298 0 50 GDAA CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)O1 180821497 DILZKMPAUXAVCE-WMLDXEAASA-N 389.431 1.446 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)NCc1nc(-c2ccccc2)cs1 95500285 QGAFVRUCHWWEHX-UHFFFAOYSA-N 385.497 1.953 0 50 GDAA CCCc1cnc(C)nc1N1CCC(c2nnc(Cn3cncn3)n2C)CC1 96148444 JRUJYGPCPHOJDR-UHFFFAOYSA-N 381.488 1.890 0 50 GDAA CCn1c(C)nnc1SCCNC(=O)[C@@H]1CC(=O)Nc2ccc(OC)cc21 91665187 NSVFWWAVWYKIPF-CQSZACIVSA-N 389.481 1.949 0 50 GDAA C[C@@H](N)C(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 95507593 OPAOQAZRMXDYSU-GOSISDBHSA-N 386.584 1.993 0 50 GDAA COCCN1C[C@@H]2CN(C(=O)c3cc(C)nc4ccccc34)C[C@]2(C(=O)O)C1 96153320 MUHRFQYRGOJGOL-QVKFZJNVSA-N 383.448 1.648 0 50 GDAA Cc1cc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)cn2ccnc12 297085851 VGVALULCIXDDLI-CQSZACIVSA-N 381.440 1.527 0 50 GDAA CCS(=O)(=O)N1CCC(N(CC(=O)OC(C)(C)C)Cc2cn[nH]c2)CC1 864096786 FPHGZVVLWLXCQW-UHFFFAOYSA-N 386.518 1.368 0 50 GDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2cccc3cc[nH]c23)C1 1940193427 CUQSRHNIEWRVMI-JQFCIGGWSA-N 381.436 1.419 0 50 GDAA CCOc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)ccc1OCC(=O)O 268912446 NYRMTBJREWBGCE-IBGZPJMESA-N 398.415 1.862 0 50 GDAA O=C1Nc2ccc(S(=O)(=O)NCCN3CCCC[C@@H]3CO)c3cccc1c23 670459492 TYXIYDFDDGKCQG-CYBMUJFWSA-N 389.477 1.531 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cc1 1875303272 KGEQUKSDJJCBSX-DNVCBOLYSA-N 381.436 1.271 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](C)c3cc(OC)ccn3)C2)n1 1875397924 UDQGCIOHTOXQQO-HUUCEWRRSA-N 384.484 1.786 0 50 GDAA CNC(=O)c1cccc(CN[C@@H]2CCCN(C(=O)c3coc(C(N)=O)c3)C2)c1 1875307206 XDTHTYHHMGJHHP-MRXNPFEDSA-N 384.436 1.133 0 50 GDAA O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1c(F)cc(C(F)(F)F)cc1F 1875310979 IHOSWGTYSPAGHG-QMMMGPOBSA-N 397.329 1.654 0 50 GDAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cnc(N2CCOCC2)nc1 1875400188 SWBRXVRAEGWICD-KBRIMQKVSA-N 392.891 1.092 0 50 GDAA C[C@H](COc1ccc(F)c(F)c1)NC[C@H]1C[C@@H](O)CN1c1cc(N)ncn1 1875400369 XMGTWFYRRRPGBS-JHJVBQTASA-N 379.411 1.334 0 50 GDAA Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402091 BDTJTQRBWGPIRK-LERXQTSPSA-N 378.864 1.041 0 50 GDAA C[C@H](C(=O)N=[S@](C)(=O)C1CCNCC1)N1CCN(c2ccc(F)cc2)CC1 1875276554 ARIBTIUXFRNNEL-YVORESIASA-N 396.532 1.713 0 50 GDAA O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(Cc1cn3ccccc3n1)CCO2 952988926 FIIAXLRTQHHGMT-QGZVFWFLSA-N 384.480 1.564 0 50 GDAA CCNC(=O)C[S@](=O)c1cccc(NS(=O)(=O)C[C@@H](OC)C2CC2)c1 888096760 LBVNOERWIAFNFC-MYYSRTQBSA-N 388.511 1.097 0 50 GDAA C[C@@]12CN(C(=O)NCc3cc(C(F)(F)F)on3)C[C@]1(C)CS(=O)(=O)C2 896190476 BRYWFFGPFPJWOJ-BETUJISGSA-N 381.376 1.660 0 50 GDAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)Oc2ncccc21 190420199 DHAMIOMIBYHSJA-GFCCVEGCSA-N 379.486 1.433 0 50 GDAA CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 730209791 HZSNALISYRWEMB-HIFRSBDPSA-N 377.416 1.916 0 50 GDAA CN(C)CCCN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 1191887769 KQNACAXJVZBZEA-UHFFFAOYSA-N 377.913 1.878 0 50 GDAA Nc1ccnc(N2CCC[C@H](CNC(=O)c3ccc(-n4cccn4)cc3)C2)n1 1506416542 JZOROGTWXYGJQC-OAHLLOKOSA-N 377.452 1.891 0 50 GDAA C[C@@H](NC(=O)CN1CCCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 1506419887 LFYPAMLCOHEMMS-QGZVFWFLSA-N 394.541 1.212 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCC(=O)Nc3cccc(F)c3)C[C@@H]2O)on1 1704278333 UWYZNEBUZVUDSV-DYVFJYSZSA-N 375.400 1.903 0 50 GDAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O 11813667 APKHSLFWLXBJKB-KRWDZBQOSA-N 387.524 1.606 0 50 GDAA O=C(CC[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1)NC1CC1 12372770 IRVWUEOCVCRAII-CQSZACIVSA-N 383.448 1.580 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N(C)CC[C@H](O)c2ccccc2)CC1 12582752 ZKUZEZSUEWDGSN-SFHVURJKSA-N 386.500 1.487 0 50 GDAA O=C(CN1CCc2ccccc2C1)N1CCO[C@@]2(CCN(c3ccncc3)C2)C1 1857671022 LNMCDKIXKIQAML-HSZRJFAPSA-N 392.503 1.948 0 50 GDAA Cc1ncccc1Oc1ncnc(N2CC[C@]3(CN(CC(=O)O)CCO3)C2)c1C 1857675839 GESMGDPGFALWBF-FQEVSTJZSA-N 399.451 1.646 0 50 GDAA Cc1nc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)no1 1857682658 YIEYHDVVNSLHON-KRWDZBQOSA-N 390.415 1.792 0 50 GDAA Cc1nn(CCO)cc1CN1CC[C@@]2(CN(Cc3cnsc3)CCO2)C1 1857686329 RABAECIMBQGUMR-SFHVURJKSA-N 377.514 1.117 0 50 GDAA CCCOCC(=O)N1CCC[C@@]2(CN(CCc3cccnc3)CC[C@H]2O)C1 1857694836 KAQICTGPEOMGMA-TZIWHRDSSA-N 375.513 1.726 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CN3CCCC3=O)C1)CC2 1857695735 VYBRBXRZWAQWKV-NRFANRHFSA-N 386.496 1.909 0 50 GDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 248046956 VVQNUDOORMPSHB-IRXDYDNUSA-N 384.480 1.274 0 50 GDAA CCN1CCN(Cc2ccc(OC)cc2OC[C@@H](O)CN2CCCC2)CC1 19838699 FOYMBLWSSRVRIU-IBGZPJMESA-N 377.529 1.668 0 50 GDAA Cc1cccn2c(CC(=O)N=c3nc4nccc(-c5ccccn5)n4[nH]3)cnc12 2100480377 GMCLBSNLAKAOPE-UHFFFAOYSA-N 384.403 1.746 0 50 GDAA CN(CC(=O)Nc1nnc(-c2ccccc2F)s1)[C@@H]1CCS(=O)(=O)C1 2100534546 NEPXNZMNJRERJQ-SNVBAGLBSA-N 384.458 1.402 0 50 GDAA CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@H](C2CC2)C1 2325811034 ZCPOQTOXPVTOSJ-AEFFLSMTSA-N 394.493 1.411 0 50 GDAA CN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc4c(c3)COC4)C2)CCC1=O 2325864249 JWQASDCKVIQPRI-QFBILLFUSA-N 399.491 1.696 0 50 GDAA NC(=O)CCC(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 11662272 CFVDIAVWXLKBLD-AWEZNQCLSA-N 391.899 1.992 0 50 GDAA CCCS(=O)(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 11697295 BLCVZTWRPUPBIO-UHFFFAOYSA-N 376.486 1.785 0 50 GDAA O=C(NCCO)c1cn([C@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)nn1 12048569 RFXVLRKWSQVAHI-AWEZNQCLSA-N 397.401 1.856 0 50 GDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCCO3)c2)CC1 12056367 FPMIIXPKYACRDH-SFHVURJKSA-N 378.469 1.449 0 50 GDAA CSc1ncc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cn1 12385510 MGRSKZYGHDOIIB-MRXNPFEDSA-N 377.558 1.965 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 15073775 NGAUISJNDPKNOB-GOSISDBHSA-N 383.500 1.050 0 50 GDAA O=C(NCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccccc1 19990961 VABNMUPTBVHAAF-UHFFFAOYSA-N 389.477 1.549 0 50 GDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20214093 NNLZFGYWJQDHKG-MRXNPFEDSA-N 379.844 1.843 0 50 GDAA CCN1CCN(C2(C(=O)N[C@H](C)CCn3cccn3)Cc3ccccc3C2)CC1 20777663 YLAURVIRQWKRAM-LJQANCHMSA-N 395.551 1.953 0 50 GDAA C[C@@H](NC(=O)c1coc(COc2ccc(F)cc2Cl)n1)c1n[nH]c(=O)[nH]1 67742729 HGIDNARKCRYXIG-SSDOTTSWSA-N 381.751 1.949 0 50 GDAA O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1CCCN(Cc2ccccn2)C1 67804838 IOZKTMCVEZTZBK-KRWDZBQOSA-N 379.464 1.896 0 50 GDAA C[C@](O)(C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1)c1ccccc1 71749811 OUSMBCJPSQVDQS-HSZRJFAPSA-N 399.535 1.876 0 50 GDAA CCc1nc(N)sc1C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 71762068 APQZFIYKDYUOIV-UHFFFAOYSA-N 375.502 1.408 0 50 GDAA Cc1nn(CC(=O)NCc2cn3ccccc3n2)c(=O)n1Cc1ccccc1 77520903 PMJPJNLLIXRJDE-UHFFFAOYSA-N 376.420 1.366 0 50 GDAA CC(C)CN(C)CCN1CC2(CCN(C(=O)c3ccnn3C)CC2)OC1=O 77522120 ZRZCLMROOFYXPN-UHFFFAOYSA-N 377.489 1.435 0 50 GDAA COCC(=O)NCc1cc2n(n1)CCCN(CC(C)(C)CN1CCCC1)C2 91364406 QYSBCKPBBSDRRM-UHFFFAOYSA-N 377.533 1.473 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)N3CCN(C)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95371999 UHKAXDMSFSGEII-PWRODBHTSA-N 384.524 1.925 0 50 GDAA Cc1ccn(CC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 95510010 YOMAXAPCYZTOIU-UHFFFAOYSA-N 382.468 1.227 0 50 GDAA CCn1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3CC)CC2)cn1 96133557 JBBPFBYKYNKZRZ-UHFFFAOYSA-N 382.472 1.779 0 50 GDAA Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)COc2ccccc2)CC1 96161635 UTGHHUKTNNLTQB-UHFFFAOYSA-N 380.452 1.845 0 50 GDAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c(F)cc1F 175793606 ZNNRKCZRBJQEJI-OAHLLOKOSA-N 388.436 1.675 0 50 GDAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(CC3CCOCC3)CC2)nn1 179401432 ARZMHBLXALDITL-UHFFFAOYSA-N 387.459 1.899 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1=O 189163024 YMIVUINZVMNYRG-KRWDZBQOSA-N 388.493 1.866 0 50 GDAA O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cn(C2CCNCC2)nn1 238119474 IFNPWQYINLMODZ-CQSZACIVSA-N 384.267 1.973 0 50 GDAA COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccccc23)cc1 253382962 JXRAZCDBRRPSJV-HVQFUZGHSA-N 381.432 1.840 0 50 GDAA C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@H](C(=O)O)C1 262676900 UMTGHTUOUGLRLS-UWVGGRQHSA-N 385.342 1.786 0 50 GDAA CNC(=O)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263617456 NWTCSVALXIZQJP-GOSISDBHSA-N 388.447 1.582 0 50 GDAA CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)cc12 266263948 LUIYFFBXMAJAAH-NSHDSACASA-N 384.527 1.912 0 50 GDAA Cc1ccn(C[C@@](C)(O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(=O)c1 280248872 SMZQDEDNGDQNAQ-HXUWFJFHSA-N 384.411 1.549 0 50 GDAA C[C@H](NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1nc(N)n[nH]1 426582772 HDXUOXVBNJFUJF-NSHDSACASA-N 392.419 1.548 0 50 GDAA C[C@H](NC(=O)N1CCC(c2nnc(CO)n2C)CC1)c1nc2ccccc2[nH]1 426641468 VIYIJXWXLWGONQ-LBPRGKRZSA-N 383.456 1.834 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 426722699 UCEVHFJKYVKMKI-MRXNPFEDSA-N 387.459 1.806 0 50 GDAA CCCN1C[C@@H](NC(=O)c2cccc(-c3cn(C)nc3C(=O)OC)c2)CC1=O 534576717 MJMDLHPXBRWGQH-HNNXBMFYSA-N 384.436 1.614 0 50 GDAA O=C1NCCN2CCN(C(=O)NCc3cc(-c4cccc(Cl)c4)no3)C[C@@H]12 584889607 PRCLQBKPHIRJKR-INIZCTEOSA-N 389.843 1.321 0 50 GDAA Cc1nnc(SCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 670460109 KUUUCRPKULYWEX-UHFFFAOYSA-N 384.508 1.802 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1 824596625 AIRDGAZFJNEBBN-CQSZACIVSA-N 379.424 1.921 0 50 GDAA COc1ccc(F)c(CN2CCC[C@H](CNC(=O)CN3CCOCC3)C2)c1 824629399 QNYKFDBWSBPGFZ-MRXNPFEDSA-N 379.476 1.495 0 50 GDAA COc1ccccc1Cc1nc(C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1 824821839 DCXXBEFDPOKFMD-MRXNPFEDSA-N 390.509 1.771 0 50 GDAA CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@](C)(C(F)F)C2)C1=O 888101619 IWJYOFZXURXSSC-SJCJKPOMSA-N 385.415 1.464 0 50 GDAA CCOC(=O)c1sc(NC(=O)CN2CC[C@@H](C(=O)O)C2)c(C(=O)O)c1C 952849065 FPXXMGCPACIDRV-SECBINFHSA-N 384.410 1.276 0 50 GDAA Cc1cc(=O)c(C(=O)N2[C@@H](C)[C@@H](C(N)=O)CC[C@H]2C)nn1-c1ccccc1F 953003005 FLWCFHULJIZRGG-XBFCOCLRSA-N 386.427 1.795 0 50 GDAA CN1CCN(c2nnc(-c3cnn[nH]3)n2C[C@@H]2CCCO2)Cc2ccccc21 1345287979 BJCHVKJOGKMBSV-HNNXBMFYSA-N 380.456 1.699 0 50 GDAA Cc1ncsc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1ccnn1C)C2 1704324962 FYPIKWHRNKHCMP-RDJZCZTQSA-N 389.525 1.477 0 50 GDAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)cc1 1704355987 VDYJKNWEVFVBAI-UXHICEINSA-N 391.431 1.448 0 50 GDAA Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772702775 IVZOZMXPLXPPKA-HRAATJIYSA-N 382.464 1.420 0 50 GDAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(C(=O)c3cccs3)C[C@]2(CO)C1 1772711358 YBCDLVVNMFTKEP-IFXJQAMLSA-N 386.477 1.362 0 50 GDAA O=C(CCc1cccnc1)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 1772806681 IFFSSDHQGFBPIQ-GOSISDBHSA-N 379.526 1.373 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)s1 1857667576 JMGLROXQGMJNGR-MRXNPFEDSA-N 399.520 1.798 0 50 GDAA CN1CC[C@]2(C(=O)NCCc3cccc(Cl)c3)CCCN(C(=O)CO)[C@H]2C1 1857681184 BPPPEKDXZIEPNJ-FXAWDEMLSA-N 393.915 1.304 0 50 GDAA CN1CCN(CCNC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)C1=O 1857715673 CJGSAIMCYWCGLG-LBPRGKRZSA-N 387.465 1.133 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1857718753 RMRFOMNPQPOLQT-VQIMIIECSA-N 378.432 1.244 0 50 GDAA CN(C)c1nc2c(c(N3CCC4(CCc5c(O)nc(=N)[nH]c54)CC3)n1)CCCC2 1857720709 GLDCOHOQRLCZPV-UHFFFAOYSA-N 395.511 1.814 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(Cc3c(C)n[nH]c3C)CC(=O)N2[C@H]1c1ccccc1 1857723963 FDHREMLLIXACGE-ZWOKBUDYSA-N 382.464 1.974 0 50 GDAA CN1CCn2nc(-c3nc(-c4cccc(F)c4)nn3-c3cnn(C)c3)cc2C1=O 1857732044 ZLXYDUHAVLDBGU-UHFFFAOYSA-N 392.398 1.756 0 50 GDAA CCc1nc(N2C[C@@H]3[C@H](CNC(=O)CSC)[C@H]4CC[C@]3(C2)O4)ncc1C 1857740968 VTAJHAODLKWWRY-XWESNNAXSA-N 376.526 1.810 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)c3ccc(Cl)cc3Cl)CC[C@]23OCCN13 1857741191 HSJPQEZFGXXSDA-OCCSQVGLSA-N 377.249 1.715 0 50 GDAA Cn1cncc1CN1CCC[C@]2(CCc3c(N4CC(O)C4)nc(C4CC4)nc32)C1 1875244606 VQTHDYXFYBUQLN-QFIPXVFZSA-N 394.523 1.748 0 50 GDAA C[C@H](C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F 1875260600 ZMINLACFVLITQS-WDEREUQCSA-N 392.399 1.228 0 50 GDAA N[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@@H]2COC[C@@H]12 1875292292 CPSPRDPREALUHW-YWPYICTPSA-N 377.242 1.637 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CNc3ccccc3N(C)C2=O)c1 1875371938 QUSGYUNBFIHYDG-HNNXBMFYSA-N 380.404 1.704 0 50 GDAA CN1C(=O)CC[C@@H](C(=O)NS(C)(=O)=O)[C@H]1c1ccc(C(F)(F)F)cc1 1875390985 DWVGVOUOXYLBCD-DGCLKSJQSA-N 378.372 1.691 0 50 GDAA Cn1c(N2CC[C@@H](Nc3nccc(-c4ccccc4F)n3)C2)cc(=O)n(C)c1=O 1875398741 DBSVBCGISDGGDC-CYBMUJFWSA-N 396.426 1.371 0 50 GDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CC[C@@H](c3cncc(F)c3)C1)NS2(=O)=O 2325810304 ICPRPPFGPJRAMS-PXAZEXFGSA-N 390.440 1.575 0 50 GDAA CS(=O)(=O)C[C@H](O)CNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 2325875025 DPCSOAAVKOVWNF-MFKMUULPSA-N 376.862 1.258 0 50 GDAA Cc1nccc(N[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N(C)Cc2cccc(F)c2)n1 2332238020 VNAHFRPDIBONDC-HZPDHXFCSA-N 392.456 1.408 0 50 GDAA CC(C)Cn1c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 2356134673 XMMYUSVQPAQOIT-AWEZNQCLSA-N 378.498 1.750 0 50 GDAA CCc1noc(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)n1 2356153310 ZOUOAAYPIBVPEO-ZGLRSVDFSA-N 381.436 1.580 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356158301 HFWAZEFCRGFKHI-CDMIOBSGSA-N 393.491 1.753 0 50 GDAA O=C(c1cnc2ccccn2c1=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356163258 VEZOSHNMMPCQQQ-UHFFFAOYSA-N 386.415 1.652 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 916381 JBYGTFWFTQIECL-UHFFFAOYSA-N 391.468 1.941 0 50 GDAA O=C1C[C@H](C(=O)Nc2ccccc2)NC(N2CCN(c3ccccc3)CC2)=N1 2435751 HDUBCZGTKGVCAT-GOSISDBHSA-N 377.448 1.692 0 50 GDAA C[C@H]1CN(C(=O)c2nc3ncccn3n2)Cc2nnc(CCc3ccccc3)n21 2356141552 HAUOSHAPZZZFKQ-AWEZNQCLSA-N 388.435 1.718 0 50 GDAA Cc1nccc(-c2cccc(N(CC(=O)N3CCOCC3)S(C)(=O)=O)c2)n1 2356158376 ZNBKREUFERFCCR-UHFFFAOYSA-N 390.465 1.077 0 50 GDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462587221 IFZWWEFWLRCKFL-HOCLYGCPSA-N 381.448 1.648 0 50 GDAA CCCc1noc(CCCC(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 136395473 GCSNCWONJIZMNB-UHFFFAOYSA-N 384.444 1.131 0 50 GDAA O=S1(=O)CC[C@H](N2CCN(Cc3cccn3Cc3cccs3)CC2)C1 120388222 YRLKXVRUVJUSIG-KRWDZBQOSA-N 379.551 1.903 0 50 GDAA COC[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)CCCN1C(=O)OC(C)(C)C 253417732 FPQMJWMDBVTNNW-SFHVURJKSA-N 380.445 1.260 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@@]2(CCCOC2)O1 330081832 PVOADEUZALNQAN-MAUKXSAKSA-N 392.481 1.285 0 50 GDAA C[C@@H](N)C(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 71764349 ODMQKKQFPHZOLM-QGZVFWFLSA-N 386.540 1.396 0 50 GDAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cn(-c2ccccc2)nn1 72152626 NIIVADXRTQWFMC-IBGZPJMESA-N 378.436 1.466 0 50 GDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCCC3)[C@@H]4C2=O)c1 77285321 VSEXRJAOQXYRRS-VWNVYAMZSA-N 382.460 1.990 0 50 GDAA CN1CCO[C@H]2CCN(C(=O)Nc3ccccc3N(C)S(C)(=O)=O)C[C@H]21 285987777 YEMKHPGMGGIXPN-CVEARBPZSA-N 382.486 1.019 0 50 GDAA Cc1cc(C)cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)c1 239653790 BLJOUXGTYDZURF-ZMSDIMECSA-N 379.482 1.649 0 50 GDAA Cc1c(C(=O)NCCN2CCN(c3ncccn3)CC2)c(O)nc2ccccc12 176045471 LRPFWWZFGHVISZ-UHFFFAOYSA-N 392.463 1.591 0 50 GDAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2csc(CN(C)C)n2)cn1 220107353 MJFKCHYJQFLQQO-ZBFHGGJFSA-N 376.482 1.874 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)NCc3csc(N)n3)CC2)cc1 426588986 KVIUJAFIZAZBOB-UHFFFAOYSA-N 375.454 1.402 0 50 GDAA CCn1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NC2CCCC2)n1 239174357 PWENXHQPXHWCEF-APIJFGDWSA-N 390.440 1.392 0 50 GDAA NC(=O)C1CCN(CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)CC1 91270160 OXYOPGIHBFUGEM-HNNXBMFYSA-N 377.460 1.640 0 50 GDAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 95526346 OANBOEIUSCFAKE-KRWDZBQOSA-N 395.467 1.454 0 50 GDAA O=C1CC2(CCN(C(=O)[C@H]3CNCCO3)CC2)CN1CCCc1ccccc1 91625249 CAKZCWARZFZCMO-LJQANCHMSA-N 385.508 1.449 0 50 GDAA COc1cccc(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c1OC 91906745 VJRRUTPRIGJGRL-NRFANRHFSA-N 378.513 1.999 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)c1 91645432 DKIYPSWAJNLZBT-IBGZPJMESA-N 379.526 1.621 0 50 GDAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1 97772899 FQHJLJGCNFWQPB-IBGZPJMESA-N 381.480 1.027 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)Cn4ccnc4)C3)CCC2=O)cn1 91468816 HROROPXDPHUCBG-HXUWFJFHSA-N 382.468 1.413 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@]2(C(=O)O)C1 96132948 VFLAJLPZVNUMNM-RBZFPXEDSA-N 384.436 1.319 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC(c4nccn4CC(N)=O)CC3)cnc12 96131440 UZOSMLAOIARSQY-UHFFFAOYSA-N 380.452 1.273 0 50 GDAA CCn1nc(CO)c2c1CCN(C(=O)c1ccc(-c3nc(=N)cc[nH]3)cc1)C2 534670864 PKTSRGHJTTUXPC-UHFFFAOYSA-N 378.436 1.463 0 50 GDAA CC1(C)SC[C@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)NC1=O 299790401 BELIKGCUIVAYDB-MRXNPFEDSA-N 379.501 1.870 0 50 GDAA CC(=O)OCC1CCN(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)O)CC2)CC1 1875298554 FHCOGOXCFDDKIY-SJORKVTESA-N 382.457 1.583 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2cc(C)nc3c2cnn3C)N(c2ccncn2)C1 1875392052 UZNGGSAIDWVLRP-KBPBESRZSA-N 381.440 1.090 0 50 GDAA COc1cc(N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCCC4)n3)C2)ncn1 1875394150 ZERLANOEHNGSQU-OAHLLOKOSA-N 381.484 1.411 0 50 GDAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(C(C)(C)C)c1)C2 1875395557 DWFPIWJUWCYBAY-MRXNPFEDSA-N 392.521 1.702 0 50 GDAA CCc1nc(CN2CCOC3(CCN(C(=O)Cc4ccccc4)CC3)C2)n[nH]1 952990752 SXPCSWUJXNNEPD-UHFFFAOYSA-N 383.496 1.803 0 50 GDAA N[C@@H]1CN(C(=O)c2cc3n(n2)CC2(CCNCC2)OC3)C[C@H]1c1ccccc1 1775961843 DKYVNQAVUGHXDY-ZWKOTPCHSA-N 381.480 1.102 0 50 GDAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565513681 XMSDERFLTMMHMU-KGLIPLIRSA-N 383.477 1.970 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)c1ccccn1 408521561 YYDRMUOWMCBROB-HRRIWVOMSA-N 399.472 1.724 0 50 GDAA COc1ccc(C(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)cc1-n1cnnn1 273212498 PNRSXXMMEARNPJ-UHFFFAOYSA-N 398.467 1.678 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1CC(=O)O 273789671 RHGCKXHKGCJCOO-HNNXBMFYSA-N 396.509 1.819 0 50 GDAA CN1CCN(c2cc(NC[C@H](O)c3ccc(Cl)c(F)c3)ncn2)CC1=O 274964663 XFSFGXFVQFFUPG-AWEZNQCLSA-N 379.823 1.693 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 1506410448 UDHRWEHUDQEETN-AWEZNQCLSA-N 393.469 1.231 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4ccncc4)no3)C[C@H]2O)n[nH]1 1704353137 RXOKBLPYUILLJI-NVXWUHKLSA-N 396.451 1.548 0 50 GDAA Cc1c(NC(=O)Cc2ccc(-n3nnnc3C)cc2)c(N2CCCC2)nn1C 1704279996 DUKAQYHYUYSEGJ-UHFFFAOYSA-N 380.456 1.794 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1O 1615734910 IPAOMCBUSGMHMK-RISCZKNCSA-N 384.395 1.529 0 50 GDAA CCn1ncnc1CN1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 1772819871 WJSCUJLWALDELR-UHFFFAOYSA-N 379.468 1.832 0 50 GDAA COc1ccc(OC)c(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)c1 12427846 DZWYTOFWLBKXJE-UHFFFAOYSA-N 375.410 1.405 0 50 GDAA biogenic,in-vitro Cn1c(=O)n(C)c2cc(CNC(=O)c3cn(Cc4ccccc4F)nn3)ccc21 12711613 SKKRQBUPNATJFQ-UHFFFAOYSA-N 394.410 1.586 0 50 GDAA COCCSc1nnc(CCNC(=O)c2ccc(OC)cc2OC)n1C 14990558 NZYPLPYSNUPMCW-UHFFFAOYSA-N 380.470 1.543 0 50 GDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NC(C)(C)C)c2=O)CCCCC3)no1 169763970 LURJHPAHPWJBLL-UHFFFAOYSA-N 389.456 1.264 0 50 GDAA CS(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)cc1 1857684804 DSHLFTQPGGCSQQ-NTDBWNAOSA-N 392.521 1.453 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CN3CCCC3=O)C1)CC2 1857695736 VYBRBXRZWAQWKV-OAQYLSRUSA-N 386.496 1.909 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1nncn1CCCOC 1857698036 STIDYCMCOYKXFJ-UHFFFAOYSA-N 387.469 1.721 0 50 GDAA COCCCCN1CCCNC(=O)c2ncccc2OCCNC(=O)CCC1 1857706423 QUCGMMFGCXLCFC-UHFFFAOYSA-N 392.500 1.219 0 50 GDAA CCCc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)cc2)[nH]1 1857736100 KMMMHYYBXROZBM-MDASCCDHSA-N 385.464 1.730 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC3)cn1 253600906 CPMDXKGPBPEBFK-SJORKVTESA-N 385.512 1.644 0 50 GDAA COc1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c(OC)cc1Br 263538208 AWKVGYFDDMSUGX-GFCCVEGCSA-N 396.259 1.854 0 50 GDAA COCC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O)C(C)C 266062528 RBHUNIOJUGRAJH-WMZOPIPTSA-N 375.469 1.394 0 50 GDAA Cc1cc(N2CCn3ncc([S@@](C)(=O)=NC(=O)C4CC4)c3C2)n2ccnc2n1 2325784859 OWMJVGXNPCIZNY-MUUNZHRXSA-N 399.480 1.648 0 50 GDAA CCOC(=O)c1cnn(C[C@@H](O)CN[C@@H](CO)c2c(C)cc(C)cc2C)c1 2325804110 VLRRGTOSDKQVQO-ROUUACIJSA-N 375.469 1.669 0 50 GDAA CC(C)CC[C@@]1(C(=O)O)CN(c2cncc(C(=O)N3CCCC3)n2)CC[C@H]1O 2356153380 DLTLCCXNDPXHIX-OXQOHEQNSA-N 390.484 1.791 0 50 GDAA CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55108440 NMDQDICAXPJTMV-MRXNPFEDSA-N 394.834 1.816 0 50 GDAA CN(C(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1)c1ccccc1 65395669 WOTKEMPPCZCELI-UHFFFAOYSA-N 383.452 1.818 0 50 GDAA CCn1nnnc1-c1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 137406030 FZVXUWCZDMMMTI-GOEBONIOSA-N 383.456 1.883 0 50 GDAA CCn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](c1cccnc1)N1CCCC1)C2 67675040 RDOFXMQRZMGITM-SFHVURJKSA-N 383.452 1.718 0 50 GDAA CSc1nccc(N2CCC(n3cc(CN4CC[C@@H](O)C4)nn3)CC2)n1 23581196 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CN1CCO[C@H]2CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C[C@H]21 285152044 LCCMRAJXMVQDQR-KGLIPLIRSA-N 388.299 1.915 0 50 GDAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc5nc(O)nc(O)c5c4)[C@H]1[C@H]3C2 285242769 GSLMMFOWOCMWFU-VCBVUMKSSA-N 377.422 1.085 0 50 GDAA COCc1cc(CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)ccc1F 176546890 PZJMHLNTVJPNHQ-MRXNPFEDSA-N 389.431 1.700 0 50 GDAA Nc1cc(-c2ccc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2)ncn1 426647285 NXCLRFXPVNHWFG-UHFFFAOYSA-N 395.463 1.437 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc3ccccc3n2)C1 223728408 OIIPFWBDZKRVER-BETUJISGSA-N 382.424 1.036 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(CC(=O)NCCc1cccc(Cl)c1)C2 426510097 KKENHLRVXOHERF-UHFFFAOYSA-N 389.887 1.347 0 50 GDAA O=C(N[C@@H]1CN[C@H](C(=O)O)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 426691340 UWUCAOOVNKZUQR-STQMWFEESA-N 386.374 1.248 0 50 GDAA Cc1nn(C)c(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1Br 20028540 IEGNDIAJFOBWLI-UHFFFAOYSA-N 395.305 1.491 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccc1F)CC2 92020576 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CCNc1ncc(CN2C[C@H]3CN(Cc4ncc[nH]4)C[C@@]3(CCC(=O)O)C2)cn1 1772704265 SHVNMAXASWXBSA-OXJNMPFZSA-N 399.499 1.430 0 50 GDAA O=C(c1ccccn1)N1CCCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 1772804414 OLGXKMMCQDZTIZ-SFHVURJKSA-N 396.495 1.811 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCC2)cc1OC 11754245 FJCUHAMWAJLYQT-MRXNPFEDSA-N 375.469 1.407 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1c1ccc(F)cn1 1857667338 VWMOMSUNUQYSPM-ZDUSSCGKSA-N 393.440 1.891 0 50 GDAA O=C(C1CC1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857668383 VRVLCPAJZVZFOF-GOSISDBHSA-N 376.428 1.833 0 50 GDAA Cc1nccn1CC1(CNC(=O)[C@]23COC[C@H]2CN(Cc2ccco2)C3)CC1 1857682489 LFPNBXNFBUZFKG-DYESRHJHSA-N 384.480 1.830 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]12)c1ccccc1 1857694748 VXKHCZCLYHVYJA-KSZLIROESA-N 399.472 1.746 0 50 GDAA COc1ccc(N2CCN(c3cc(C(=O)N4CCOCC4)ccn3)CC2)cn1 1857698064 VIBYEMFWPKSKCN-UHFFFAOYSA-N 383.452 1.284 0 50 GDAA COc1cc(C)c(S(=O)(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c(C)c1C 1857727827 BFSZOQWLUFSMOW-WFXMFSGNSA-N 381.494 1.781 0 50 GDAA O=S(=O)(NC[C@H]1[C@H]2CN(CCCn3cccc3)C[C@]23CC[C@H]1O3)C1CC1 1857736369 QUFMRMIHEXXXNG-WJFTUGDTSA-N 379.526 1.439 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CNC(=O)c2ccccc2)CC1 1857737902 IMRUBJHTRGADRH-UHFFFAOYSA-N 380.448 1.727 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1c[nH]nc1C1CCCCC1)C2 247490609 BGUPVSVGCJAIBJ-HIFRSBDPSA-N 380.514 1.953 0 50 GDAA CSc1cccc(CNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1 247506728 HEWADLIZXPUWEX-HOTGVXAUSA-N 377.510 1.109 0 50 GDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1nc(-c3cccnc3)no1)C2 247996261 MODQIQMLGOZQNG-CVEARBPZSA-N 383.452 1.924 0 50 GDAA C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@@H]21 150295410 KEDYTOTWMPBSLG-IASZTOCISA-N 388.464 1.905 0 50 GDAA C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)[C@@H]1CN 156764618 ZQPNJKYUBDFZLE-XJKSGUPXSA-N 376.482 1.475 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 262964467 KRUGXYJSXUJQFR-MFKMUULPSA-N 387.219 1.658 0 50 GDAA Cn1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(O)nc1=O 263778341 GJSVSPJKICEEPA-LBPRGKRZSA-N 399.382 1.695 0 50 GDAA COCCOc1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCOC3)c1 851014954 INVKVUZYYWTKQW-UHFFFAOYSA-N 391.445 1.903 0 50 GDAA O=S(=O)(c1ccc(I)cc1)N1C[C@H]2CC[C@H]1CN2 320371273 OSOXSBLOETWRFW-MNOVXSKESA-N 378.235 1.416 0 50 GDAA NC(=O)NCC(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100477912 JFGJNHHOOQALSW-IBGZPJMESA-N 382.464 1.619 0 50 GDAA COc1ccccc1-c1cc(N(C)C(=O)c2nnn([C@@H]3CCNC3)c2C)n[nH]1 2325756584 XLUYQNDVIFMEMY-CYBMUJFWSA-N 381.440 1.796 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 1078825 JEIKUWMVLAKRLP-HOCLYGCPSA-N 382.482 1.391 0 50 GDAA COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1 1135875 XIHDXPZNVXHEFD-UHFFFAOYSA-N 391.449 1.041 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4c5ccccc5ncn4n3)C2)cn1 2807978 JVJDJACPDXHLJU-CYBMUJFWSA-N 397.464 1.579 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnn(CC)c2)cc1 11934964 XFIRFYNRELIXGL-LJQANCHMSA-N 399.495 1.309 0 50 GDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)C1=O 12003974 MQUAGFRGHBRSGA-LLVKDONJSA-N 387.417 1.350 0 50 GDAA COc1cc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc(OC)c1 12427843 MYYNHJHMAZNFII-UHFFFAOYSA-N 375.410 1.405 0 50 GDAA biogenic,in-vitro COCCN1C[C@H](C(=O)NCCc2nccc(-c3ccccc3)n2)CCC1=O 12439123 LQJAYSMKRRQMOW-QGZVFWFLSA-N 382.464 1.687 0 50 GDAA COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3)C1=O)OCO2 13124823 JANIXLYHKXUSHH-VGOFMYFVSA-N 395.371 1.955 0 50 GDAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)c1OC 13596713 WEATYAOATRTUFF-MRXNPFEDSA-N 387.436 1.304 0 50 GDAA O=C1NCCN(C2CCCC2)[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 15071182 URIKMFUYYSFCBI-GOSISDBHSA-N 390.553 1.525 0 50 GDAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCN(C)CC3)c(C)o2)cc1 20241432 GWTJXPXRBIJBPX-MHZLTWQESA-N 391.493 1.681 0 50 GDAA O=C1CN(C(=O)c2cnc3ccccn3c2=O)CCN1Cc1ccc(F)cc1 20387251 XNWRSPZZBGKZOY-UHFFFAOYSA-N 380.379 1.318 0 50 GDAA COCCc1noc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2)n1 55306792 YUBCIJPHELFFQG-HNNXBMFYSA-N 390.415 1.881 0 50 GDAA COc1cccc(N2CCN(C(=O)Cn3nc4c(cc3=O)CCCCC4)CC2)c1 61721642 FBAGCCJIJPFFMP-UHFFFAOYSA-N 396.491 1.870 0 50 GDAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@H](N1CCC(N3CCOCC3)CC1)C2 67841169 YUEIZJXMTHFFKI-KRWDZBQOSA-N 390.528 1.891 0 50 GDAA COc1ccc(OCc2cc(C(=O)NCCn3ccnn3)n[nH]2)c(Cl)c1 67983342 VDDARWKLPXIMND-UHFFFAOYSA-N 376.804 1.672 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCc2[nH]nc(C(C)C)c2C1 72134558 MZYHDCBEKGDEIV-QGZVFWFLSA-N 375.517 1.654 0 50 GDAA Cn1c(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)cc(=O)n(C)c1=O 77524648 RRCXKFDLKUCGQI-ZDUSSCGKSA-N 375.400 1.154 0 50 GDAA CCN(CC)C(=O)c1cccc(S(=O)(=O)NCCc2nncn2CC)c1 95365669 WAIPCVFETVDVSD-UHFFFAOYSA-N 379.486 1.301 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCNC3)cc2)CC1 95525470 CWFQTFJKNKYITP-MRXNPFEDSA-N 375.469 1.185 0 50 GDAA CN(CCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1)S(C)(=O)=O 95528708 DTWZMJSVYLXGSO-MRXNPFEDSA-N 382.530 1.671 0 50 GDAA Cc1sc2ncn(CC(=O)N3CCC(Nc4cccnn4)CC3)c(=O)c2c1C 109637245 SKHRPHXRXNULLS-UHFFFAOYSA-N 398.492 1.968 0 50 GDAA O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1nc2cc(F)ccc2[nH]1 137346737 WCNSBEGTXIBTKP-UHFFFAOYSA-N 397.370 1.302 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)cc1 158467107 ODICLSILOJVHDS-UHFFFAOYSA-N 375.381 1.245 0 50 GDAA COC(=O)C1=CN(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)N=C1C 169776615 ZMHFJIUGHKQYGR-ZDUSSCGKSA-N 393.465 1.202 0 50 GDAA C[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 177399504 CIIMQMPAVZLIEC-AWEZNQCLSA-N 388.493 1.613 0 50 GDAA Cn1ccc(CC(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 183328921 HSGSDGCTHYDABS-UHFFFAOYSA-N 383.227 1.102 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1C 186121484 KNYBUVLOIPLQBS-QGZVFWFLSA-N 379.526 1.505 0 50 GDAA Cc1cc(S(=O)(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n(C)n1 222765050 OSFGSPXZHCBTIY-JTTJXQCZSA-N 377.466 1.454 0 50 GDAA CC(C)[C@H]1CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]1NS(C)(=O)=O 248095459 GJZMOGQZCKRTLO-MNOVXSKESA-N 380.967 1.868 0 50 GDAA COc1ccccc1C[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O 262163455 PVGXNBNXEVHENM-NSHDSACASA-N 398.462 1.077 0 50 GDAA CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)C[C@H]2C(=O)O)cc1 262959358 JDYLZWFGSKJWIY-CJNGLKHVSA-N 398.481 1.465 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CC[C@H](C(=O)O)C2)cc1OC 299741863 HIWLKARHKLCRQS-QMMMGPOBSA-N 394.243 1.562 0 50 GDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(N2CCNC2=O)ccc1F 299751908 SGUKWGXFKADELG-CYBMUJFWSA-N 379.388 1.451 0 50 GDAA CCN(C)[C@@H](C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 328627671 GLVIXAYIXCDCQT-FXAWDEMLSA-N 382.512 1.785 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)cnn1Cc1ccccc1 328635826 NQJQFATUBSGHKN-KRWDZBQOSA-N 386.452 1.097 0 50 GDAA O=C(c1ccc2c(c1)CCCC2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 333337814 XJTDBCCOBIMLIB-PMACEKPBSA-N 382.508 1.926 0 50 GDAA CN1CCN(C(=O)c2ccc(-c3noc([C@@]4(C)C[C@H]5CC[C@H]4O5)n3)cn2)CC1 350166672 YLRZDYHSHDQHPS-KKVAFCGZSA-N 383.452 1.728 0 50 GDAA Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2c(O)nc(=O)n(C)c2n1 426511548 DCPIGVQXFDZHFC-UHFFFAOYSA-N 378.392 1.191 0 50 GDAA Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@H]3CCOC3)CC2)cc1 808269291 DIEKOBHPFQADHT-AWEZNQCLSA-N 386.495 1.030 0 50 GDAA Cn1ccc(N2CCC[C@H](NC(=O)NCCc3ccc(C(=O)O)cc3)C2=O)n1 833055940 RQSQCYBKIRMROS-HNNXBMFYSA-N 385.424 1.156 0 50 GDAA CO[C@@H](C)c1nnc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 1506423969 AAQWZLQDUHLKOJ-VIFPVBQESA-N 388.446 1.789 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCc2nc(Cc3ccccc3)no2)C1 1506428253 OKIHNCGEOUIILH-HNNXBMFYSA-N 380.470 1.353 0 50 GDAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1O 1704312788 AVUUSIDHKUFDLT-WBVHZDCISA-N 385.438 1.084 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)C1 1775979291 SHTHNYSJHBLBBX-CQSZACIVSA-N 385.511 1.772 0 50 GDAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3C=CS(=O)(=O)C3)CCSCC2)o1 1776111182 DZKFEDWSZZVTFI-LBPRGKRZSA-N 399.490 1.236 0 50 GDAA O=C(N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)COCc1ccccc1)C2)C1CCOCC1 1857685651 NTUKBWFGVBBKAV-CEQLMSFQSA-N 386.492 1.983 0 50 GDAA COc1cccc(C(=O)NC[C@H]2[C@H]3CN(c4ncccn4)C[C@]34CC[C@H]2O4)c1 1857710234 NAFLIQSPBOEJGU-XKGFGPFHSA-N 380.448 1.899 0 50 GDAA O=C(c1ccc2c[nH]nc2n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857717618 QFCLZWSGCQWVGP-FVJLSDCUSA-N 389.415 1.873 0 50 GDAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)nc(=N)[nH]1 1857733083 UMRKGNBCOALHJA-BIZBXSGISA-N 379.464 1.611 0 50 GDAA COCCn1ccnc1CN1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733387 IVHMTHCBLQHAIG-OPYAIIAOSA-N 382.464 1.804 0 50 GDAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCn1ncc(C(N)=O)c1N 1875264231 FBROAQFLEPJUTO-MRXNPFEDSA-N 383.408 1.072 0 50 GDAA CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1cnn(-c2ccc(Cl)cc2)c1C 1875280502 PWJKRNGUIVHBPR-LSKLOWJMSA-N 390.871 1.993 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)CSc1nncn1C1CC1 1875312681 IYXAIVIZDVUJCO-UHFFFAOYSA-N 383.455 1.004 0 50 GDAA C=CC(=O)N1CCn2ncc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)c2C1 1875389608 VEMMJLXSBXOSJP-UHFFFAOYSA-N 376.420 1.731 0 50 GDAA CN(C)C(=O)c1cnn2c1[C@@H](CN=c1cc[nH]c(-c3nccs3)n1)CCC2 1875392067 SYXWJYYIZBXBRC-GFCCVEGCSA-N 383.481 1.910 0 50 GDAA CCOC(=O)[C@@H](NC(=O)c1ccc2c(c1)COCCN2)[C@@H](O)c1ccncc1 2325826531 DXURRWXSTMFPHS-ROUUACIJSA-N 385.420 1.419 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C)no2)C[C@H]1NS(=O)(=O)CC 2356169477 CISLZSJQRRKDKJ-NUEKZKHPSA-N 387.502 1.502 0 50 GDAA Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br 537957 MHPZZZZLAQGTHT-UHFFFAOYSA-N 387.230 1.784 0 50 GDAA fda Cn1c(SCC(=O)NCCOCCO)nc2sc3c(c2c1=O)CCCC3 1895742 IPHDCNYPKUGXKS-UHFFFAOYSA-N 397.522 1.091 0 50 GDAA O=C1N(C2CC2)CCC[C@]12CCCN2S(=O)(=O)c1ccc2oc(O)nc2c1 2356140087 SOQSVLTXPOQJLO-SFHVURJKSA-N 391.449 1.842 0 50 GDAA Cn1nccc1CCC(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356163917 WWRHOVKKSSLAOB-WFXMLNOXSA-N 388.512 1.640 0 50 GDAA C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1-n1cccn1 121427259 XDQJPGQEJOOSHG-GFCCVEGCSA-N 375.388 1.893 0 50 GDAA O=C(O)c1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc2c1OCCO2 484625916 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385.468 1.435 0 50 GDAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cn(CCN2CCCCC2)nn1 12717639 FWMDDVLUKJXMNH-UHFFFAOYSA-N 393.495 1.922 0 50 GDAA CCCN1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CC)C2=O)CC1 19742252 DIMGTLUMPYPJSN-QFIPXVFZSA-N 385.508 1.956 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3ccccn3)C2=O)cc1 206245956 PNHUUWYYOCCBNH-GOSISDBHSA-N 396.447 1.302 0 50 GDAA CC[C@@H](C)[C@H](C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525729 SIKCBULJFDIBRU-AUUYWEPGSA-N 396.499 1.917 0 50 GDAA CCn1nc(CC(=O)NC)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857678277 LLRBFQWYJDFBOM-CYBMUJFWSA-N 383.456 1.582 0 50 GDAA CC(C)c1cc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)no1 1857678442 YHDDSXNSGJYKNE-STQMWFEESA-N 391.449 1.752 0 50 GDAA CCC(CC)C(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857691071 YKZHVHDNFVXGSX-PMACEKPBSA-N 391.560 1.762 0 50 GDAA CCOCC(=O)N1CCC[C@@]2(CN(CCc3ccc(O)cc3)CC[C@H]2O)C1 1857695089 TUFYZRBAAHWXOP-TZIWHRDSSA-N 376.497 1.647 0 50 GDAA Cc1ccc(C(N)=O)c(N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)n1 1857697837 OGVJCXRJTPSBFY-FQEVSTJZSA-N 382.468 1.535 0 50 GDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H]3CCc4ncnn4C3)CC2)n1 1857738062 PZVMIHSBXLWEJC-LBPRGKRZSA-N 395.389 1.307 0 50 GDAA Cc1nnc2n1C[C@@H](CNC(=O)c1cn3c(n1)CCN(CC(C)(C)C)CC3)C2 1875243303 AGDUTLLCUDDMMS-OAHLLOKOSA-N 385.516 1.290 0 50 GDAA CCCC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3 1875245651 KEUHODDIGCJOSN-ZOMKSWQUSA-N 384.523 1.833 0 50 GDAA COC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 252510838 CBMOGOIKJGGROB-CVEARBPZSA-N 381.450 1.622 0 50 GDAA CCC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)C(=O)O 262365133 KYQJASTVRBYGEN-GFCCVEGCSA-N 393.259 1.939 0 50 GDAA CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1CN(Cc2cc[nH]c2)C2(CCC2)CO1 2325785263 MPNPNSQRWLQBBB-IEBWSBKVSA-N 388.512 1.511 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(F)ccc1N1CCOCC1 2325786032 YYEFVYLKIOQDLY-LSBZLQRGSA-N 388.443 1.428 0 50 GDAA CC(C)(O)c1cn(Cc2ccc(C(=O)N[C@H]3CCc4c[nH]nc4C3)cc2)nn1 2325869352 KLGDUFNOWOUDHJ-INIZCTEOSA-N 380.452 1.564 0 50 GDAA CCc1nc(COc2ccc(C(=O)N[C@H]3CCc4nc(C)nn4C3)cc2)no1 115056536 RIHWYSLEZQTEJU-AWEZNQCLSA-N 382.424 1.856 0 50 GDAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 779565 BQVKFOVUMHMRMK-UHFFFAOYSA-N 390.461 1.851 0 50 GDAA NC(=O)c1noc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)n1 2356149043 GXKGXLPLWUGNNE-HXUWFJFHSA-N 383.452 1.368 0 50 GDAA CC(C)N1CCC[C@@]2(CCCN2Cc2cnc(N(C)CC(=O)O)nc2)C1=O 2356169560 UQKXEXVVBGFAGA-IBGZPJMESA-N 375.473 1.363 0 50 GDAA CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 4851691 FGNMWMNRFNDGQN-UHFFFAOYSA-N 391.287 1.319 0 50 GDAA CSCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 101793657 BHFGRNGXZPSHHH-QLPKVWCKSA-N 398.550 1.561 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)nn(C)c1=O 67725385 FFOWSHRPHDEJIQ-SFHVURJKSA-N 394.479 1.866 0 50 GDAA O=C1C[C@@H](NCc2c(F)cccc2N2CCCC2)CN1CCN1CCOCC1 172697561 IWTDQQRCEABDHQ-QGZVFWFLSA-N 390.503 1.449 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)N2CCC3(CC2)CN(CCCN(C)C)C(=O)O3)C1 77455382 ZIPANZMKKJSYIT-MRXNPFEDSA-N 380.489 1.552 0 50 GDAA CCc1oc(C(=O)N2CCNC[C@@H]2C(=O)NC2CC2)cc1CN(CC)CC 72122250 SEMRNDQZLAMUIQ-MRXNPFEDSA-N 376.501 1.376 0 50 GDAA CCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1 72421754 NNRHNBOWTFMISJ-MSOLQXFVSA-N 375.517 1.040 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cccnc3C)CC2)C1 71662544 ITGZQZVZGQZLNR-QGZVFWFLSA-N 388.512 1.469 0 50 GDAA Cc1cccnc1NCCNC(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 72157729 PYRHXXQJSZPNBS-SFHVURJKSA-N 387.528 1.689 0 50 GDAA CN1CCC[C@@H](C(=O)N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)C1 72423037 RHEOBADCZAFRGJ-OAHLLOKOSA-N 376.501 1.925 0 50 GDAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2ccccn2)CN(C(=O)Cc2ccccc2)C1 72167447 WVJSBUDUSWENHF-SJORKVTESA-N 381.432 1.490 0 50 GDAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)c1ccc(Cl)c(-c4nnn[nH]4)c1)C[C@@H]3C2 285311237 MBESGMNWAYAXNB-NOORDTQPSA-N 395.872 1.564 0 50 GDAA O=C(CN1CCN(c2nccc(-c3cnccn3)n2)CC1)NC1CCCCC1 450314358 MVJVSWGWMHPAPY-UHFFFAOYSA-N 381.484 1.505 0 50 GDAA CC(C)n1ncc(NC(=O)Cn2cc(-c3cc(-n4cccn4)ncn3)cn2)n1 48130437 RQQKQULTFZGONU-UHFFFAOYSA-N 378.400 1.337 0 50 GDAA O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCCC1 41238606 ZLLRXRQXKLKTIN-UHFFFAOYSA-N 381.281 1.914 0 50 GDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)N1CCC[C@@]2(CCNC2)C1 426701335 BMCSWXNKPMLDRG-NRFANRHFSA-N 381.480 1.695 0 50 GDAA COCCN1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)C1 82115944 UCPBXFGSPKFYAD-OAHLLOKOSA-N 379.888 1.874 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)CCc3ccccc3)C[C@H]2CCC(=O)O)CC1 95377855 DNPQCKLZPMGGMF-UXHICEINSA-N 387.524 1.949 0 50 GDAA CCc1nc(N2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)no1 95529240 AEGIAKHBJLUDSB-CYBMUJFWSA-N 380.470 1.836 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)COc2ccccc2)CC[C@@H]1N1CCOCC1 92097908 AGONBIGIDPYWJJ-AEFFLSMTSA-N 376.453 1.480 0 50 GDAA CC(=O)N1CCN(Cc2ccccc2OC[C@@H](O)CN2CCCCC2)CC1 95528200 LHSZXBUGHZNYDY-FQEVSTJZSA-N 375.513 1.576 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2cn[nH]c2)c1)N1CCCCCC1 95386279 JFEYHQIFKOYOHV-UHFFFAOYSA-N 376.482 1.947 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)CCc1n[nH]c(C)n1)CC2 91877163 COFHHQZKVFXIPA-UHFFFAOYSA-N 377.489 1.313 0 50 GDAA Cc1ccnn1CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 91876799 KCOHCGHJZFWJDG-FQEVSTJZSA-N 384.484 1.389 0 50 GDAA CNC(=O)c1cc(NC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)ccc1OC 95516961 COLBDZWLKQZQAT-SFHVURJKSA-N 376.413 1.551 0 50 GDAA COCCn1c(CN2CCCN(C3CCCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 252552156 UPZIHWPJMGQWOA-CALCHBBNSA-N 376.549 1.580 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1ccon1 55254921 OCMZRTPQRBOULD-OAHLLOKOSA-N 396.369 1.700 0 50 GDAA O=C(c1cccc(-c2ncccn2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 299799588 UAFXSNDLLLUOLN-GOSISDBHSA-N 380.448 1.855 0 50 GDAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)NS(=O)(=O)C[C@@H]1COCCO1 1875265722 RACCNBZNOKYWFW-GOEBONIOSA-N 385.482 1.829 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N=[S@@]2(=O)CCCC3(C2)OCCO3)c1 1875371901 PGZUPVVMYFNTJS-AREMUKBSSA-N 380.422 1.662 0 50 GDAA CC[C@H](O)CNc1ncccc1S(=O)(=O)N1CCC12CC(CN(C)C)C2 1875342725 FBFFRUIFWJRWOP-CSLYMUCUSA-N 382.530 1.369 0 50 GDAA Nc1nccc(C2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)n1 952979477 ISNCNPDASXDEPF-OAHLLOKOSA-N 380.452 1.209 0 50 GDAA CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 408126685 AJJXQBHZRSUNEX-ZDUSSCGKSA-N 399.538 1.473 0 50 GDAA Cn1c(SCC(=O)O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 170624326 KXZGQPDQQUTUPM-UHFFFAOYSA-N 394.840 1.312 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc12 188884080 FZCIHEZBLGANRE-CJNGLKHVSA-N 392.506 1.735 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCN(Cc2cccnc2)CC1 1506420140 VYCOEECEOURURI-UHFFFAOYSA-N 388.493 1.386 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3137270 LDYKAZKFFLNRBV-XIDKLXSXSA-N 384.457 1.761 0 50 GDAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1131672 FVZQDPYSRJBWHO-WDZFZDKYSA-N 380.422 1.285 0 50 GDAA CN(C)S(=O)(=O)CCCN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857709871 VYWRPAIOTLJHBO-UHFFFAOYSA-N 376.526 1.769 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CCn2cnc3ccccc32)CC1 1857714739 JWTNODBEFHCESI-UHFFFAOYSA-N 392.463 1.841 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc4ncsc4c3)C[C@H]2CO1 1857725507 ZJENBFWZPKJPHB-KKUMJFAQSA-N 388.493 1.346 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc4ccccc4c3)C[C@H]2CO1 1857725711 JIPRDTJBYYEVCN-UFYCRDLUSA-N 381.476 1.890 0 50 GDAA COC(=O)c1sc2ncnc(N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)c2c1C 1857727997 IXBNVXJADCEFHL-QWRGUYRKSA-N 376.438 1.222 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCc3nnc4ccccn34)CC2=O)s1 1857729334 WZWALEDNMJRYJM-NSHDSACASA-N 385.453 1.203 0 50 GDAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)o1 1857731050 IVZZWWTUJOKNAH-HKUYNNGSSA-N 382.416 1.590 0 50 GDAA c1ccc(OCc2nc(-c3cn4c(n3)CCNCC4)n([C@H]3CCOC3)n2)cc1 1857733014 QWIVUQNASLGEBX-HNNXBMFYSA-N 380.452 1.828 0 50 GDAA CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)nc(O)nc1O 750853862 LBIWQSPEQVRGHV-OAHLLOKOSA-N 379.505 1.003 0 50 GDAA COc1cccc(C(=O)NCCn2cc(C(=O)NCC(C)C)nn2)c1OC 14957856 ACXLGNPXCUWAOE-UHFFFAOYSA-N 375.429 1.111 0 50 GDAA C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](N)C1 158509588 JJTJPQGWAHQSKU-DGCLKSJQSA-N 389.315 1.809 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CCO1 262927940 WXPHUOTVXQRWEL-HNNXBMFYSA-N 376.796 1.476 0 50 GDAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5cnc(N6C[C@@H]7CC[C@H](C6)O7)nc5)[C@@H]4[C@@H]3[C@@H]12 921559040 COCAHXHJENXJMC-MSVWJOSKSA-N 378.432 1.110 0 50 GDAA CO[C@]1(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H](C(=O)O)C1 2325777990 VBWOTQRTHOSHFX-YOZRSPHLSA-N 390.480 1.905 0 50 GDAA Cn1cnc(C[C@@H]2NC(=O)[C@@H](Cc3csc(Br)c3)NC2=O)c1 2325797414 QLXPOJFNULEFHJ-MNOVXSKESA-N 383.271 1.013 0 50 GDAA Cc1ccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 637616 JLIYRAVCHMXEQJ-UHFFFAOYSA-N 379.420 1.996 0 50 GDAA biogenic O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356168189 SQVWIYFSFHLVFB-OLPIVMHESA-N 384.436 1.453 0 50 GDAA COc1ccc(OC)c2c(C)cc(N3CCN(CCOCCO)CC3)nc12 4996925 NSQUWRJOVCSIOU-UHFFFAOYSA-N 375.469 1.691 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C 10301237 HZJLSJYAKYXEJH-UHFFFAOYSA-N 377.466 1.726 0 50 GDAA O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 170625359 CPSUXCKWPDELSC-LBPRGKRZSA-N 392.345 1.110 0 50 GDAA CCN1CCN(Cc2cc(C(=O)N3CCC([C@H](O)C(C)C)CC3)no2)CC1 67673749 MPSURBNQTNHYTL-LJQANCHMSA-N 378.517 1.681 0 50 GDAA O=C1CN(c2nc3nonc3nc2N2CCCC2)CCN1Cc1cccc(F)c1 67974924 BDMOLQCYFOIPOC-UHFFFAOYSA-N 397.414 1.601 0 50 GDAA COC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)CC1 12595911 RYFYYCWKLGMUCP-KRWDZBQOSA-N 379.501 1.169 0 50 GDAA CCn1nccc1N1CCC[C@@H](NS(=O)(=O)C2Cc3ccccc3C2)C1=O 328610947 JRYMIXQRXOGRLA-QGZVFWFLSA-N 388.493 1.485 0 50 GDAA NC(=O)C1(N2CCCCC2)CCN(c2nncc(-c3cccc(F)c3)n2)CC1 12191874 OZFMFYNSXZBPFK-UHFFFAOYSA-N 384.459 1.988 0 50 GDAA O=C(NCc1ncc[nH]1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71758915 GKPRXYWJEMQULC-SFHVURJKSA-N 382.512 1.798 0 50 GDAA CN(CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)S(C)(=O)=O 153081866 AWNICORDFYRDGP-MRXNPFEDSA-N 391.497 1.160 0 50 GDAA CC(C)Oc1ccccc1CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 363257269 VQEFBAPJGQPMLG-UHFFFAOYSA-N 386.452 1.710 0 50 GDAA CN(Cc1ccoc1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1 215808511 WPHQYNLAQBGOMB-INIZCTEOSA-N 377.466 1.582 0 50 GDAA Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cnn(-c4ccccc4)c3)C2)cn1 173421165 IVVINBCRHMCWTH-OAHLLOKOSA-N 386.481 1.553 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2ccc3ncsc3c2)[C@H](C2CCC2)C1 333911287 LMPPABKHXGMVQK-AWEZNQCLSA-N 386.520 1.884 0 50 GDAA COCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71385630 WPSHMAXMIKHQRY-KRWDZBQOSA-N 388.512 1.437 0 50 GDAA O=C(Cn1nnnc1CN1CCOCC1)N[C@@H]1CCCC[C@H]1c1ccccc1 15063794 XUJGLVJOGOLVAC-ZWKOTPCHSA-N 384.484 1.348 0 50 GDAA CCCCCN1CCN(Cc2cnc(NCC)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72477914 JTLSIASIPKPBLN-SJORKVTESA-N 381.546 1.382 0 50 GDAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1CC[C@](C)(C(=O)O)C1 263076667 QQMTYJDFKKRKLP-BEFAXECRSA-N 375.425 1.933 0 50 GDAA C[C@@H]1CN(C(=O)NCc2coc(-c3ccccc3)n2)C[C@H]1C(=O)N1CCOCC1 284837120 JSLJCKQISSZERG-CRAIPNDOSA-N 398.463 1.978 0 50 GDAA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 47100698 KONZZXXNMPFZML-CQSZACIVSA-N 375.454 1.671 0 50 GDAA COc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CNC(C)=O)c2c1CCCC2 82096180 HECYAEXHROGTAH-KBPBESRZSA-N 384.473 1.811 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C2Cc3ccccc3C2)C1 426373613 LXFPBLXEHAFYHZ-LJQANCHMSA-N 381.524 1.994 0 50 GDAA O=C(C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1ccncc1 223235961 YEKMTMUCLBEGQH-QGZVFWFLSA-N 384.411 1.433 0 50 GDAA Cc1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)ccc1Oc1cccnc1 289681394 FCIZZBWWFXNFRH-UHFFFAOYSA-N 393.451 1.513 0 50 GDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCSCC2)CC1 426388162 NLIZJJKFFHTRNT-KRWDZBQOSA-N 377.510 1.905 0 50 GDAA O=C(NCCN1CC[C@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 426422679 AGLSIRJKDCOMRN-IBGZPJMESA-N 380.496 1.798 0 50 GDAA CCN1C[C@@H](NC(=O)c2cccc(-c3ccc(CC(=O)NC)cc3)c2)CC1=O 426465233 QRVPTCWBJXYZQE-IBGZPJMESA-N 379.460 1.993 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cn1 95524593 QXSKCFGEXCJIMI-MRXNPFEDSA-N 386.481 1.628 0 50 GDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN2CCC(F)CC2)c1 95517568 LZSMWMLMCVABNZ-LJQANCHMSA-N 396.503 1.826 0 50 GDAA Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 96165978 OLTZPOXGHFWWAR-GOSISDBHSA-N 385.428 1.809 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCc3nc(N)n[nH]3)csc2C1 426434866 PQVCBPYTTXJZLU-UHFFFAOYSA-N 387.469 1.542 0 50 GDAA COc1cccc(-c2n[nH]cc2C(=O)NCCS(=O)(=O)N2CCCC2)c1 91818065 DEZCVSWBKGSBCQ-UHFFFAOYSA-N 378.454 1.241 0 50 GDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)Cn2cccn2)CC1 96140017 LKJRSNGANVBPOT-UHFFFAOYSA-N 382.472 1.454 0 50 GDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)Cc2cc(C)no2)CC1 96163713 HEBPSLPLCOKXTI-UHFFFAOYSA-N 384.444 1.183 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244811617 SHVAPOIFSOTQCT-FRIZHTMISA-N 380.408 1.065 0 50 GDAA Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1csc(CC(=O)N(C)C)n1 184755062 XNUDFDLCCMELBP-GOSISDBHSA-N 390.484 1.894 0 50 GDAA COc1ccnc(C(=O)N[C@H]2C[C@H](C(=O)N(C)CCc3ccccn3)C[C@@H]2O)c1 1940196340 DGOFWYDCXNAKAL-FNHZYXHNSA-N 398.463 1.056 0 50 GDAA CN(c1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cc1)S(C)(=O)=O 828248070 KWMNEIAIKYWNJZ-AWEZNQCLSA-N 393.509 1.603 0 50 GDAA CS(=O)(=O)c1ccc(S(=O)(=O)NCCCc2csc(N)n2)cc1 670472531 BTHQBBMWABYTDJ-UHFFFAOYSA-N 375.497 1.040 0 50 GDAA O=C(C1CCN(c2cc(O)ncn2)CC1)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 1875309676 IFUWMXBIPPLYOG-GCJKJVERSA-N 394.475 1.825 0 50 GDAA Cn1[nH]c(=NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)c2c1CNCC2 1875292344 FCBRCRFSZFOWIT-UHFFFAOYSA-N 392.250 1.628 0 50 GDAA Cc1ncnc(N2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)c1C 952968335 LBUOMQBOWZLLRY-UHFFFAOYSA-N 381.465 1.969 0 50 GDAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)c2cccc(-n3cnnc3)n2)C1=O 952962884 DEEHHGDIHNVCDT-NSHDSACASA-N 377.364 1.359 0 50 GDAA C[C@@H]1CC[S@](=O)CCN1S(=O)(=O)c1ccnn1CCc1ccccc1 888100766 QEDNUGJARFUAEA-MYYSRTQBSA-N 381.523 1.657 0 50 GDAA O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Br)c[nH]1 170626236 IUMOWCQMNOKDBR-UHFFFAOYSA-N 383.246 1.762 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)Nc4ccc5c(c4)CCO5)CC3)ncnc21 193028717 RJBYYNANTUMYFY-UHFFFAOYSA-N 379.424 1.652 0 50 GDAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1COc2ccccc2C1 194457221 BKYYEGGVLJWDHJ-OAHLLOKOSA-N 399.472 1.701 0 50 GDAA CN1CCN(c2nc3ccccc3nc2N2CCN3C(=O)OCC[C@H]3C2)CC1 764179582 LTVCRQOOXLVEHR-HNNXBMFYSA-N 382.468 1.413 0 50 GDAA Cc1cnc(C)c(N2CCC[C@@H](CNC(=O)c3cccc(-n4cnnc4)n3)C2)n1 1506400471 JVTOVWJFFUPWPA-INIZCTEOSA-N 392.467 1.716 0 50 GDAA CCCCc1ncc(CN2CCCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)[nH]1 1529098478 GQZFUXFBFSGPNB-INIZCTEOSA-N 375.517 1.655 0 50 GDAA Cc1ccc(CC(=O)N2CCCN(C(=O)CSc3nncn3C)CC2)cc1 1704341028 OKFWDIVXUAROQA-UHFFFAOYSA-N 387.509 1.519 0 50 GDAA CCc1ccccc1CN1C[C@H]2CN(C(=O)c3ccc(O)nc3)C[C@]2(CO)C1 1772812544 MVZAGYOSIVJDAL-UGKGYDQZSA-N 381.476 1.916 0 50 GDAA CN(Cc1cnn(C)c1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11842592 RULKKZWGQYIKOC-LJQANCHMSA-N 378.423 1.684 0 50 GDAA CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 11874624 NOCWEBBWAUWACZ-FQEVSTJZSA-N 385.508 1.229 0 50 GDAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](N2CCC(CO)CC2)CC3)o1 14744868 PKGKXJDORQTTIB-INIZCTEOSA-N 386.496 1.813 0 50 GDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(SC)c3)CN2C1=O 14747265 BSEXFHVSSZZLON-QEJZJMRPSA-N 376.482 1.798 0 50 GDAA Cc1nnc(SCCNC(=O)c2cn(CCN3CCCCC3)nn2)s1 14949507 NEYOBEPPFPDUJD-UHFFFAOYSA-N 381.531 1.446 0 50 GDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCCSC)c2)CC1 19745361 LIVPQHZUAMFFKN-LJQANCHMSA-N 381.586 1.907 0 50 GDAA Cn1c(CCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 169772672 OBZJPKBWMXSXQM-MRXNPFEDSA-N 391.431 1.373 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cn(C)nc3C3CC3)C2)n1 1857527073 UWCNYEQNQGIOTB-MRXNPFEDSA-N 383.500 1.432 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N(C)Cc3nncn3C(C)C)CC2=O)s1 1857734701 NLNLOCVMDIJWCY-NSHDSACASA-N 377.474 1.284 0 50 GDAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 118989553 KOGVOEZIIBOPMZ-LBPRGKRZSA-N 397.888 1.171 0 50 GDAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)n1 12029452 IXECESWLGTYTIE-HOCLYGCPSA-N 384.411 1.598 0 50 GDAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)c2)on1 1704298751 JVWSULYLTVZRCO-UONOGXRCSA-N 380.422 1.415 0 50 GDAA CCn1c2ccccc2c2nnc(SCC(=O)NC3=NC(=O)CS3)nc21 2746213 WVKGQKHAQYJAMT-UHFFFAOYSA-N 386.462 1.837 0 50 GDAA O=C(CCCC1CC1)N[C@H]1CC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)n2ccnc21 2332237833 OACJUTMZJXBCDB-HOTGVXAUSA-N 399.495 1.088 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4ncnn4c3)C1)CC2 2356146834 XIBJRPJDIIMWAP-HXUWFJFHSA-N 377.452 1.706 0 50 GDAA COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC 2878108 UCBJYXSSVLMKOA-UHFFFAOYSA-N 398.525 1.957 0 50 GDAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(OC)c3c1CCCC3)C2 2356168801 OCDRXMCNQKHBSA-LIRRHRJNSA-N 381.494 1.858 0 50 GDAA COc1cc2c(cc1CN1CCC[C@@]13CCCN(CCO)C3=O)OCCO2 2356170018 QVRLRPHZRAGIJV-HXUWFJFHSA-N 376.453 1.416 0 50 GDAA CON(C)C(=O)CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 225678702 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Cn1cc(CN2C(=O)N[C@@](CCc3ccccc3)(C3CCNCC3)C2=O)cn1 67559503 OPLGPHLHKPDLQL-NRFANRHFSA-N 381.480 1.843 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ncc(C(N)=O)s1 120637900 JREPMYXOSVFVSM-ZDUSSCGKSA-N 389.412 1.548 0 50 GDAA CN1CCN(Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)CC1(C)C 216309602 DFWJSUHFAJHNQS-IBGZPJMESA-N 375.513 1.887 0 50 GDAA CCOC(=O)[C@](O)(c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1)C(F)(F)F 218489885 PWEFONIKRICGCM-MRXNPFEDSA-N 386.326 1.684 0 50 GDAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 173022595 VKRACDXKCLCCNN-CQSZACIVSA-N 393.532 1.952 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@H]2CCN(S(C)(=O)=O)C2)n1 328650169 VJBMCGNODIZXKP-INMHGKMJSA-N 397.545 1.786 0 50 GDAA O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cc2c(cc1Cl)OCCO2 328641845 YCMVIEHWUCFKIN-LLVKDONJSA-N 383.857 1.849 0 50 GDAA CNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71405705 VXXRPNQHWVYFNI-LJQANCHMSA-N 398.551 1.192 0 50 GDAA Cc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)nn1-c1cccc(F)c1 372449090 XRKLCRFBSZNBGU-KRWDZBQOSA-N 397.458 2.574 0 50 GDAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 71760918 RQRJXHKFNBRWAI-UHFFFAOYSA-N 376.848 1.149 0 50 GDAA Cc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)nnn1C1CCNCC1 237610234 MEEKDZBVJNPUIG-AWEZNQCLSA-N 394.483 1.925 0 50 GDAA O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@H]1C[C@@H](O)CN1 238015725 XMAKTSOPPKZYER-WOJBJXKFSA-N 376.460 1.937 0 50 GDAA Nc1cnc(-c2cccc(C(=O)N3CCCN(c4ncccn4)CC3)c2)cn1 426621550 DGIGJTQTAOISAD-UHFFFAOYSA-N 375.436 1.868 0 50 GDAA O=C(C[C@@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91656436 JDWRJHYCHLYYSC-GOSISDBHSA-N 386.496 1.191 0 50 GDAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccc2c(c1)C(=O)OC2 96159746 DWTPELCWAXVURD-SFHVURJKSA-N 382.420 1.947 0 50 GDAA O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N2CCSCC2)c1 95356450 CBYUWSFZHZWGOF-UHFFFAOYSA-N 380.495 1.051 0 50 GDAA O=C(O)CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 238080109 IEULOHXSERDLHB-LLVKDONJSA-N 381.226 1.878 0 50 GDAA O=C(CN1CC2(CCNCC2)OC1=O)N1CCOc2ccc(Cl)cc2C1 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O=C1NCC(=O)N2C[C@@H](NC(=O)N(Cc3ccncc3)C3CCCCC3)C[C@@H]12 584899765 BPCGQJJDVURKDT-RDJZCZTQSA-N 385.468 1.025 0 50 GDAA O=C(O)C1CCN(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)CC1 670438621 JQQAIWAZEFJYET-INIZCTEOSA-N 399.488 1.421 0 50 GDAA Cn1c(N2CCC[C@H](c3nc4ccccc4o3)C2)nc2c1c(O)nc(=O)n2C 674065092 XZATYKJYLRXWGP-NSHDSACASA-N 380.408 1.898 0 50 GDAA CCCN(C)CCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)[C@H](C)C1 1875332583 ZTHUIAKWRGJWKP-DNVCBOLYSA-N 385.512 1.800 0 50 GDAA C=CC(=O)N[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1 1875388174 PHDXERNOSKYCDQ-ZBFHGGJFSA-N 381.498 1.110 0 50 GDAA Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCN(S(C)(=O)=O)CC1(C)C 1875392075 HMIJWLCQYCKNSA-GFCCVEGCSA-N 387.527 1.451 0 50 GDAA Cc1cc(N)n(CC(=O)NCC[C@H](C)NC(=O)[C@@]2(C)C[C@@H]2C(F)(F)F)n1 1875332600 AHZFZYKEAFYZKV-ZSGNIPIJSA-N 375.395 1.373 0 50 GDAA CSc1cc(C)c(C(=O)NC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)C)o1 1875345526 AOAOCHYJUFTTCW-NEPJUHHUSA-N 395.481 1.233 0 50 GDAA C[C@@]1(C2CCN(C(=O)NCCN3CCc4ccccc43)CC2)NC(=O)NC1=O 1334410600 NEDGAQOMRDTXTC-FQEVSTJZSA-N 385.468 1.069 0 50 GDAA CNC(=O)NCC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C2(CF)CC2)C1 1775996823 JSAFIUBHZJALJW-GJZGRUSLSA-N 382.480 1.285 0 50 GDAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3[nH]ncc3C2)c1 172033574 RHYRPPZONLSAQQ-HNNXBMFYSA-N 376.482 1.728 0 50 GDAA C[C@H](C(=O)N1CCn2c(CCc3ccccc3)nnc2C1)N1CCN(C)CC1 744600013 KINHQDGLXFGTRS-QGZVFWFLSA-N 382.512 1.041 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 1506401717 JUPPSVOJOUQAQT-AWEZNQCLSA-N 393.509 1.506 0 50 GDAA Cc1nn(C)c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1-c1ccccc1 1506405832 XCZBMJAEGUGNCQ-HNNXBMFYSA-N 376.482 1.453 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](OCc3cccnc3)C2)cc1 1506396544 KPUDLGPYFKLMCL-QGZVFWFLSA-N 389.477 1.811 0 50 GDAA COCCN1C[C@H](CNC(=O)c2cn(CCCc3ccccc3)nn2)CC1=O 12058473 ICDBGXHGZKUERR-KRWDZBQOSA-N 385.468 1.136 0 50 GDAA NC(=O)Cc1nc(-c2scc3c2CCCC3)n([C@@H]2CCS(=O)(=O)C2)n1 1857674191 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388.508 1.571 0 50 GDAA O=C(C[C@@H](c1ccc(F)c(F)c1)C1CC1)NC[C@@H]1OCO[C@H]1C(=O)NC1CC1 1875396953 YORPPKKZNMZLJW-DKSSEZFCSA-N 394.418 1.985 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2ccn(-c3ccccc3)n2)ncn1 1875398172 FIOGJYAIVDMFDM-RTBURBONSA-N 393.495 1.776 0 50 GDAA Cc1nc(C(=O)N2CCn3c(C)cnc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403850 HESXSJOWURGIGL-MRXNPFEDSA-N 383.500 1.395 0 50 GDAA Cc1nc(C(=O)N2CCCc3n[nH]cc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404011 PTWNDPSQROBLEC-MRXNPFEDSA-N 383.500 1.545 0 50 GDAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)CCC(=O)O)C2=O)cc1 269183389 MARGHDUMTRMXLT-IBGZPJMESA-N 375.425 1.522 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](CNC(=O)c3cscn3)C2)c(O)n1 952979423 MYQVZPLPSOOHPQ-CYBMUJFWSA-N 389.481 1.467 0 50 GDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 272467490 PHDZECJQCZKSIG-HZUKXOBISA-N 393.871 1.227 0 50 GDAA COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 170086652 WTHWPGRFMHOSDC-AKSNENBUSA-N 394.512 1.767 0 50 GDAA 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50 GDAA CCC1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CCC1 2325897755 HFBSJSBSUXVXIU-HNNXBMFYSA-N 397.431 1.398 0 50 GDAA Cc1[nH]c(=N)sc1C(=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356154236 NPZAYLAGMRDQQB-FZKQIMNGSA-N 375.450 1.385 0 50 GDAA COc1cccc([C@H](O)CNC(=O)c2sc(N3CCOCC3)nc2C)n1 2356159530 FSPMDQFNFGZPQY-CYBMUJFWSA-N 378.454 1.155 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)OCC(=O)N1C 2356163861 UMQQUYPHFQJGNB-SJORKVTESA-N 399.413 1.600 0 50 GDAA CCCN1CCC[C@@]2(CCCN2Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1=O 2356166812 AOZBMKWNRFROFQ-JOCHJYFZSA-N 396.491 1.994 0 50 GDAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCC(N)=O)NC(=O)N1 1126505 QGMOBIMLJYXKST-LJQANCHMSA-N 394.431 1.495 0 50 GDAA Cc1cc(C)n(CCCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 170748505 CFLRLMXCXXQYOZ-KRWDZBQOSA-N 377.489 1.170 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1OC 67621828 OWRWANVCKNMECR-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)CC1 64151938 IRWKAPXRIKZAIC-MRXNPFEDSA-N 386.496 1.074 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN(C)Cc3ccno3)C2=O)c1OC 67833835 ARMRJVIYLJWPSO-FQEVSTJZSA-N 389.452 1.677 0 50 GDAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 11819268 BQAKGFNJAPKTTA-QGZVFWFLSA-N 387.509 1.698 0 50 GDAA CCOC(=O)CNc1ncc([C@@H]2CC(=O)NCc3nc4ccc(C)cn4c32)cn1 65393483 BWVZUXGOFQJHDN-AWEZNQCLSA-N 394.435 1.560 0 50 GDAA Nc1nc(N2CCOCC2)nc2c1[C@@H](c1coc3ccccc3c1=O)CC(=O)N2 65495547 GZNDSENXBZAYOM-GFCCVEGCSA-N 393.403 1.476 0 50 GDAA CCc1cnc(C)nc1N1CCC(N2CCC[C@H](C(=O)NCCOC)C2)CC1 71756956 ZLNQEGOJODCDTQ-SFHVURJKSA-N 389.544 1.791 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)C2)n1 328614666 WOHFSOVSKAWINC-SFHVURJKSA-N 393.465 1.982 0 50 GDAA Cc1cccn2c(CC(=O)NCC[C@H]3CCCCN3S(C)(=O)=O)cnc12 215298234 NZDFBMHUTLBRCI-OAHLLOKOSA-N 378.498 1.506 0 50 GDAA Cc1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 72408728 KQEZNCMUVVPOCG-SJORKVTESA-N 382.913 1.982 0 50 GDAA CO[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccn[nH]3)c2)C1 216025948 RKYNGWIQRSFKFG-HNNXBMFYSA-N 378.454 1.139 0 50 GDAA CCn1ccnc1CN1CCO[C@@]2(COCCN(C(=O)c3ccccc3)C2)C1 72172706 RVOXKGFTJJMQIL-NRFANRHFSA-N 384.480 1.647 0 50 GDAA CCN1C[C@@]2(CCCN(C(=O)c3cc(C)nn3CCN(C)C)C2)CCC1=O 72433207 JZUMDFYCAPAMID-HXUWFJFHSA-N 375.517 1.618 0 50 GDAA COc1nc2c(cc1CNC(=O)c1ccc[nH]c1=O)C(=O)N(C1CCCC1)C2 71748515 VVVIDRMBKWIAAT-UHFFFAOYSA-N 382.420 1.607 0 50 GDAA Cc1ccc(-n2cc(C(=O)N3CCC[C@@](O)(C(N)=O)C3)c(C(C)(C)C)n2)cc1 285672424 VKWMRMFQDODNGX-NRFANRHFSA-N 384.480 1.931 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 222457204 ZSQYSSRFWCTDJL-HUUCEWRRSA-N 377.470 1.165 0 50 GDAA C[C@@H](NC(=O)CCn1nnnc1CN1CCOCC1)c1ccccc1Cl 20255914 JYPYLXPNFBSPRT-CYBMUJFWSA-N 378.864 1.426 0 50 GDAA CCc1c(C)nn(CCNC(=O)Nc2ccccc2S(=O)(=O)NC)c1C 97436987 PKFGGWGGHBKRNN-UHFFFAOYSA-N 379.486 1.792 0 50 GDAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(C(=O)N2CCOCC2)C1 95501212 MHALYIRKEPXINS-INIZCTEOSA-N 383.452 1.975 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)Cc3ccc(O)c(F)c3)C[C@H]2CCCO)CC1 91304280 FTVGIFVEMQVYEG-MJGOQNOKSA-N 393.503 1.311 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 230211829 VDHRQVYCQVOPFL-KCQAQPDRSA-N 394.468 1.589 0 50 GDAA CNC(=O)c1cc(NC(=O)NC2CCN(C3CCOCC3)CC2)ccc1F 96149207 OKPMMTYEUCIZDL-UHFFFAOYSA-N 378.448 1.950 0 50 GDAA CCN1C[C@H](NS(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)CC1=O 95374240 GKVGPTIMTULJJA-MRXNPFEDSA-N 393.509 1.602 0 50 GDAA Cc1ccc2cc(C(=O)N3C[C@H](CO)[C@H](CN(C)CCN(C)C)C3)n(C)c2c1 91873047 QJBUQKQGRMYJIR-RTBURBONSA-N 386.540 1.661 0 50 GDAA Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 299314431 DPOQHNNAEHLUKJ-LJQANCHMSA-N 394.475 1.712 0 50 GDAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCN(C(=O)c2ccco2)CC1 1506403536 SPUZRVBLRIDCHF-UHFFFAOYSA-N 380.404 1.747 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C[C@H]1C 864097062 KBFZJPKRGVLBEA-HTQZYQBOSA-N 379.251 1.964 0 50 GDAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCCc4cccnc4)c3CO2)cc1 263618784 VNXXTFLFTCIQFE-SFHVURJKSA-N 379.420 1.926 0 50 GDAA Cn1c(=O)oc2cc(NC(=O)NC[C@H]3CCCN(c4ncccn4)C3)ccc21 299767654 IRQYLBAQDXVXPM-CYBMUJFWSA-N 382.424 1.960 0 50 GDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cc(=O)nc2sccn12 670466615 AWPISEKZQNUKNP-CCHVVGMOSA-N 397.464 1.220 0 50 GDAA CC(=O)Nc1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(Cl)c1 670449447 OZQKNAPHMAJCCQ-ZDUSSCGKSA-N 380.876 1.616 0 50 GDAA COCCCn1cc(C[C@H](C(=O)NCc2cncc(C(=O)O)c2)C2CC2)nn1 1875324653 HTMBNHUVWWZFIJ-KRWDZBQOSA-N 387.440 1.293 0 50 GDAA Cc1ccc(N2CCN(C(=O)C(=O)N3CC(Cc4ccccc4)C3)CC2=O)cc1 1875289296 FVODJRKAYSDHFH-UHFFFAOYSA-N 391.471 1.871 0 50 GDAA Cc1cc(S(C)(=O)=O)cc(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1C 1875264125 FFAFEVZNADDGQK-AWEZNQCLSA-N 391.497 1.841 0 50 GDAA CS(=O)(=O)Nc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CCC2 1875261466 UCGZGPRYTWHRTF-UHFFFAOYSA-N 393.490 1.977 0 50 GDAA CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC)cc1S(=O)(=O)N(C)C 170620807 MAHNZWVJSFZSAZ-AWEZNQCLSA-N 397.497 1.675 0 50 GDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1506405983 ISXQQGBAUAEFCT-OAHLLOKOSA-N 377.466 1.419 0 50 GDAA CCNc1ncc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cn1 1529118998 RCAQOXXJDGHJIR-RTBURBONSA-N 388.468 1.860 0 50 GDAA O=C1CCCCN1CCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529134097 QYXGJSTUIJKVLV-XLIONFOSSA-N 381.476 1.999 0 50 GDAA CCn1ncnc1CN1C[C@@H]2CN(C3CCSCC3)C[C@]2(CCC(=O)O)C1 1772813563 HTVDBOLUWODIKF-BEFAXECRSA-N 393.557 1.792 0 50 GDAA COc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633240 MZYVBNHMJDYPAX-UHFFFAOYSA-N 390.461 1.897 0 50 GDAA O[C@H](COc1cccc(CNCCOc2cccnc2)c1)CN1CCOCC1 11662189 WHNISYXMWMKETL-IBGZPJMESA-N 387.480 1.322 0 50 GDAA Nc1nnnn1CC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 11815085 OEJWJSYRAGUNGD-FQEVSTJZSA-N 383.500 1.203 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)cc1 12306622 NMGSFHXSIAWVCW-HXUWFJFHSA-N 396.491 1.829 0 50 GDAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14747207 OPMHZHAMFGCPOE-UHFFFAOYSA-N 396.495 1.942 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1 14964392 FEUDBVFPQIYQNX-SFHVURJKSA-N 385.439 1.841 0 50 GDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(CC4CCCC4)CC3)C2)cc1 19229416 HYKHGYCNBCFDGW-SFTDATJTSA-N 387.524 1.688 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCc2nc(C)cc(O)n2)C[C@H]1NC1CCOCC1 1857685754 SBTTYIZKIQMRLL-USXIJHARSA-N 392.500 1.102 0 50 GDAA O=C1C[C@H]2[C@H](CCN2C(=O)CCc2ccc(F)cc2)N1CCN1CCOCC1 1857688676 WFNFARIVXKCYNL-OALUTQOASA-N 389.471 1.292 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(c4cccnc4)CC3)CC2=O)s1 1857719114 DOJDWCGXAMLLFY-ZDUSSCGKSA-N 386.481 1.197 0 50 GDAA CC1(NC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCNCC1 1857736928 RIZWCOMEXIYBTC-HNNXBMFYSA-N 399.520 1.740 0 50 GDAA Cc1cc(C(=O)NCCN2CCCS2(=O)=O)nn1-c1c(F)cccc1F 239667823 BRNMEURIMQAVGB-UHFFFAOYSA-N 384.408 1.224 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnn(-c2ccccc2)c1 12458666 YCPYULRAOIYWTL-IBGZPJMESA-N 383.496 1.378 0 50 GDAA CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)c1 918056094 AUAFQCBZNFQZFN-UHFFFAOYSA-N 383.360 1.771 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3nc(-c4ccccn4)no3)cn12 2100480363 FPXSTMAAVUQRHI-INIZCTEOSA-N 393.407 1.794 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)Cc2cn(C)nc2C)cc1OC 2100540865 RUYDOLUTAOFFOW-ICSRJNTNSA-N 389.452 1.249 0 50 GDAA CN1CCN(c2ncc(C(=O)N3CC[C@H]4CC[C@@]43c3cnn(C)c3)s2)CC1 2325783810 CONJXYFZLCSLCV-KUHUBIRLSA-N 386.525 1.780 0 50 GDAA O=C(NC[C@@H]1CCNC2(CC2)C1)C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1 2325789666 FGYBETJINHYZEO-CABCVRRESA-N 389.471 1.886 0 50 GDAA Cn1nc(CCNC(=O)C(=O)Nc2cnc3c(c2)C[C@H](N)CC3)c2ccccc21 2325859047 LYQSXISVENUHMF-CQSZACIVSA-N 392.463 1.082 0 50 GDAA Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](CN)C2)C1 952852293 HAHIAUAAMWNAAN-RDBSUJKOSA-N 388.438 1.558 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 796735 JEIKUWMVLAKRLP-GDBMZVCRSA-N 382.482 1.391 0 50 GDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccco1 2229896 PVVAXLIULXKYHQ-QZTJIDSGSA-N 396.447 1.808 0 50 GDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1 8684159 AKWZAASNCKPVPY-ZDUSSCGKSA-N 375.812 1.742 0 50 GDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCC(=O)N(C2CC2)C1 11815624 XMGNNZZXQHZJAX-MRXNPFEDSA-N 380.448 1.428 0 50 GDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CN3CCOCC3)cc2)CC1 11844523 SEERTBXGMVBKJN-IBGZPJMESA-N 392.496 1.144 0 50 GDAA COc1ccc(N([C@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1Cl 12380394 WRQMVWHXSGQCTQ-GFCCVEGCSA-N 389.905 1.277 0 50 GDAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CN1CCC(O)CC1 12432434 FKJYFTYLJXGATR-SFHVURJKSA-N 391.531 1.995 0 50 GDAA O=C(NCc1cccc(F)c1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 15078426 FSMOUNUJUJQJCP-KRWDZBQOSA-N 377.460 1.403 0 50 GDAA COc1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1 20774991 PNXZYGYBDICEKE-SFHVURJKSA-N 399.495 1.183 0 50 GDAA COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1ccc(F)cc1 32547723 DUEDQPGJLZPCSC-IAGOWNOFSA-N 395.452 1.661 0 50 GDAA O=C(c1nc2ncccn2n1)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 48356892 QMVAWMZYRQZNFP-CQSZACIVSA-N 380.456 1.926 0 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GDAA Cc1cc(CNC(=O)c2cnc(Cn3cncn3)nc2O)c(C(F)(F)F)o1 91914791 ICUNXRZJBWAAKC-UHFFFAOYSA-N 382.302 1.672 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCCC[C@H]3CN3CCOCC3)cc2)C(=O)N1 95374295 AFFYQVVSDIDRPG-KRWDZBQOSA-N 386.452 1.070 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 95523725 PMVUPOFJXUZUDZ-OAHLLOKOSA-N 378.436 1.778 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 95527515 NENQGNXYESXWNM-CQSZACIVSA-N 380.452 1.584 0 50 GDAA Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 134061086 KWCRRHYCSPEXAT-HNNXBMFYSA-N 375.812 1.437 0 50 GDAA COC(=O)c1cccc(OC)c1NS(=O)(=O)c1cccc(-n2cnnn2)c1 170602167 OMKPQHLVAOHZKC-UHFFFAOYSA-N 389.393 1.258 0 50 GDAA O=C(Nc1ccc2nncn2c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 180698050 LBAYURHGRJTNRE-GFCCVEGCSA-N 391.478 1.830 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc(C)n3)C2=O)cc1OC 206240217 BJKLGJLDIBIHOD-CQSZACIVSA-N 398.419 1.856 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CN2CCCCCCC2)C1 244794809 QTYANZMBKVGRAE-WKILWMFISA-N 379.505 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CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2ccccc2-n2cncn2)CC[C@H]1O 2356154519 YTURUSXLSZHHBE-YLJYHZDGSA-N 386.452 1.981 0 50 GDAA COc1cnccc1-c1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 2356157672 QJDRVJWKPCGMBF-CYBMUJFWSA-N 375.450 1.508 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1 4719650 NEPGGBUCUNPFKD-MRXNPFEDSA-N 375.425 1.491 0 50 GDAA Cc1ncc2c(c1-c1noc([C@H]3CNC(=O)C3)n1)CCN(C(=O)C1CCC1)C2 20201883 QUJQTXXIFXLBOL-CYBMUJFWSA-N 381.436 1.728 0 50 GDAA Cc1ccccc1Cn1cc(C(=O)N2CCN(Cc3cccnc3)CC2)nn1 20537442 UNYALQXXWXQOGH-UHFFFAOYSA-N 376.464 1.988 0 50 GDAA CN(C[C@H]1COCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67561018 VVSFOQJDNZDVBP-ZDUSSCGKSA-N 376.365 1.470 0 50 GDAA Cc1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1 20211049 OCHMEMKUOCXIHA-SFHVURJKSA-N 383.496 1.483 0 50 GDAA CC(C)S(=O)(=O)CCNC(=O)N1CCC(O)(Cc2ccccc2F)CC1 365749149 FQLDJLVRNOAETN-UHFFFAOYSA-N 386.489 1.728 0 50 GDAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67714134 BWSXTGWGMVGXMT-CQSZACIVSA-N 397.410 1.472 0 50 GDAA CN(CCc1cn[nH]c1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67713589 ZWVPVJKREAVIER-IBGZPJMESA-N 378.423 1.716 0 50 GDAA CCNc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(C)n1 65363459 ZQBYFIDJXZAKAV-UHFFFAOYSA-N 375.498 1.869 0 50 GDAA Cc1nc(C(C)C)sc1C(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)O 71762539 HPOGYZVPXPCDRF-GFCCVEGCSA-N 375.454 1.781 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCN(c3ccc(F)cc3F)C1)CC2 363363781 FBUSFMLYVBZFBH-AWEZNQCLSA-N 389.406 1.405 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3occc3C)CC2)C1 71749379 AUWOYHXPJDMKLL-MRXNPFEDSA-N 377.485 1.667 0 50 GDAA Cc1ccc(OC(F)F)c(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 125401835 MNRKJEMOBCBVNI-UHFFFAOYSA-N 378.379 1.958 0 50 GDAA CCN1C[C@@]2(CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)CCC1=O 77538224 ODKQOMJNJFTSAE-MRXNPFEDSA-N 388.921 1.795 0 50 GDAA CCN1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]2CS(=O)(=O)C[C@H]21 77489581 XXELGVSPRKJRKF-CABCVRRESA-N 379.507 1.548 0 50 GDAA O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CC[C@H](N2CCNCC2)C1 261965599 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Cc1cc(C)cc(C(=O)N2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c1 14961145 AMRJFQBQNDDBOG-UHFFFAOYSA-N 398.511 1.491 0 50 GDAA O=C1CO[C@H](C(=O)NCCc2nc(-c3ccccc3)no2)[C@@H](c2ccccc2)N1 2100539611 QCWSOSVZMUQURQ-MOPGFXCFSA-N 392.415 1.652 0 50 GDAA O=C(NC[C@@]1(O)COC2CC1C2)Nc1cccc(C(=O)N2CCSCC2)c1 2325810408 JELHKNLRKSDHBD-GSQSYGFSSA-N 391.493 1.537 0 50 GDAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 802774 DUMUDBWKLOYMQT-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc3ccc(F)cc32)cc1 11866541 BPCXCNSPGARTSR-UHFFFAOYSA-N 375.425 1.787 0 50 GDAA COc1ccccc1CCC(=O)NCc1nnc(SCCN(C)C)n1C 12325337 BZSSHRQWXKOSLS-UHFFFAOYSA-N 377.514 1.726 0 50 GDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 12448468 KHRMDNZYTHGMAG-OAQYLSRUSA-N 392.503 1.726 0 50 GDAA COC[C@@H](C)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1 14541148 IHVBAUYFGCYGGV-QGZVFWFLSA-N 398.507 1.797 0 50 GDAA C[C@H]1CN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 16210981 YKDOQVWKXKMGMN-KBPBESRZSA-N 399.538 1.514 0 50 GDAA C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 33975001 UREBDLICKHMUKA-PPUNREKOSA-N 392.467 1.896 0 50 GDAA in-vitro CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3cnco3)c2)CC1 52469906 AXGUOGBFCZHTBL-UHFFFAOYSA-N 379.442 1.298 0 50 GDAA CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)C1CCOCC1 55370951 GIUNGCVOUGHIRG-MRXNPFEDSA-N 381.423 1.293 0 50 GDAA COc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)ccn1 67459596 BXAMFUFDZXPGGB-UHFFFAOYSA-N 379.420 1.984 0 50 GDAA NC1CCN(c2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2)CC1 67691942 RSSTUFIGHHRTGO-QGZVFWFLSA-N 382.464 1.969 0 50 GDAA Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(C[C@@H]1CCOC1)CCN2C 67696705 QIADQAZTRQDTJE-KRWDZBQOSA-N 376.501 1.550 0 50 GDAA COc1nc2c(cc1CNC(=O)c1ccnc(N)c1)C(=O)N(C1CCCC1)C2 71575720 FURWHOQGGHXJAS-UHFFFAOYSA-N 381.436 1.896 0 50 GDAA O=C(NCC1CCNCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71721584 ZNDXMRDFNJELOF-OAQYLSRUSA-N 399.583 1.874 0 50 GDAA O=S(=O)(c1cccc(F)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72115616 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NC(=O)c1ncn2c(C(=O)NC[C@@H](O)C3CCCCC3)cc(-c3ccco3)nc12 170805846 KAMZSSMCCKSVMF-OAHLLOKOSA-N 397.435 1.759 0 50 GDAA c1cnc(N2CCN(Cc3ccccc3OCCN3CCOCC3)CC2)nc1 215228210 CERCVHZKLWZFGT-UHFFFAOYSA-N 383.496 1.510 0 50 GDAA O=C(N[C@H]1CCN(C(=O)CCCN2CCCCCC2)C[C@@H]1O)c1ccccn1 216371184 XVVXZZZCVFNLNC-HKUYNNGSSA-N 388.512 1.429 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cn3cc(Cl)ccc3n1)C2 247522351 LXWUVAAWWAFKFW-YPMHNXCESA-N 382.873 1.484 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O 265332508 UFZJLJDDMZRPIO-SJORKVTESA-N 387.480 1.815 0 50 GDAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 289847180 MDQHUDBWNHHBCM-IBGZPJMESA-N 393.553 1.739 0 50 GDAA Cc1cccc(OCCc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)c1C 328621754 ASYFWKARUAVBEP-OAHLLOKOSA-N 381.454 1.641 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CC12CCCCC2 332811425 YIBLBEORESJDNN-QBPKDAKJSA-N 396.553 1.935 0 50 GDAA Cn1cc([C@H]2CN(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CCO2)cn1 333287628 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CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 1506431684 VLLYCCLBJVHIME-GJZGRUSLSA-N 388.917 1.877 0 50 GDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@@]5(C)CC56CCNCC6)(C4)C2)C3)n1 1857685417 VXHPKVIBPDXGKS-BCYHEJSDSA-N 384.528 1.925 0 50 GDAA O=C(NCCO)c1cc2c(s1)C1(CCN(Cc3cncnc3)CC1)OCC2 1857685675 OZCRHSVFAAEYBH-UHFFFAOYSA-N 388.493 1.324 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cc(F)ccc3C)[C@H]3CC[C@]2(C1)O3 1857727042 JTEGKYCNKVHRPQ-TVKQPGBESA-N 375.444 1.089 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCN3CCc4ccccc4C3)CC2=O)s1 1857732967 PDIHMXILQDFUCW-MRXNPFEDSA-N 385.493 1.374 0 50 GDAA COCCn1nnc([C@H]2CN(Cc3cc(-c4ccc(C)cc4)no3)CCO2)n1 1857735081 GZGHELQIQYPLHW-GOSISDBHSA-N 384.440 1.856 0 50 GDAA COc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc(OC)c1OCCCN 1857740005 DILAKXFXARQVCG-BPUTZDHNSA-N 393.484 1.023 0 50 GDAA COC1(CF)CN(C(=O)[C@@]2(O)CC(=O)Nc3ccc(Br)cc32)C1 1875323479 JOXFEOMMFLZYSP-OAHLLOKOSA-N 387.205 1.176 0 50 GDAA CO[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1NC(=O)CCc1ncc[nH]1 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O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc(-c2nccnc2N2CCCC2)c1 299766224 HCFLPHISHVBMIX-MRXNPFEDSA-N 384.461 1.784 0 50 GDAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)N1CCN(CCN2CCOCC2)CC1 299762791 BALVZAQVGIYMFC-UHFFFAOYSA-N 384.484 1.558 0 50 GDAA CCn1ncnc1CN1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 823609752 LTWRRKGHQAJQNS-SFHVURJKSA-N 385.468 1.466 0 50 GDAA Cc1cc(F)c(S(=O)(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1F 268624001 ZLYZZIMOGAGSOH-UHFFFAOYSA-N 382.454 1.318 0 50 GDAA CCOc1ccccc1-n1nnnc1SCC(=O)N=c1cc2n([nH]1)CCC2 1875274574 JZZMGOHWJGNJHY-UHFFFAOYSA-N 385.453 1.356 0 50 GDAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H]1CNC(=O)Cc1[nH]cnc1C)C2 1875310592 VLPCVBPGOCTNED-PXNSSMCTSA-N 396.491 1.988 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)N3CCCCNS(=O)(=O)CC3)ccc21 1875371773 LSDPNICAGWYLPY-UHFFFAOYSA-N 391.493 1.307 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccccc1N1CCOCC1 952861734 JSZQYGBNKWYFHL-UHFFFAOYSA-N 380.408 1.760 0 50 GDAA O=C1C[C@@H](C(=O)N(CCN2CCOCC2)Cc2ccco2)C2(CCCC2)O1 952983155 VBTHCRZZXOFREK-KRWDZBQOSA-N 376.453 1.816 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 952969266 MWIXUHZLFSYADZ-AWEZNQCLSA-N 392.419 1.658 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)NCCc1csc(-c2cnccn2)n1 952872079 IZHGOPBVOHTQGU-UHFFFAOYSA-N 381.417 1.867 0 50 GDAA COC(=O)C1=CN(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)N=C1C 169771850 CWSQCNVLYQRCBD-UHFFFAOYSA-N 379.438 1.827 0 50 GDAA Cn1cc(Cl)c(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)n1 891257888 MBKXXJFPRCNLCJ-BXKDBHETSA-N 385.795 1.655 0 50 GDAA COC[C@H]1[C@@H](NS(=O)(=O)c2ccc(OC)c3c2CCCC3)[C@H]2CCO[C@H]21 1565531449 HZZZCORSTMSOLY-LVFSCSRESA-N 381.494 1.902 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 186126448 LGYTWWRZUWNEEA-INIZCTEOSA-N 379.526 1.569 0 50 GDAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccc(Br)c2)C1=O 278893891 UTOUBQGZSSGLNJ-BJOHPYRUSA-N 384.230 1.968 0 50 GDAA CC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 170597814 ZKXDRSRKKHJFAS-ZFWWWQNUSA-N 381.498 1.515 0 50 GDAA C[C@H](O)[C@](C)(CNC(=O)CCCN1C(=O)CN(C)C1=O)Cc1ccccc1 170611705 CBVMQLAEYYVZDV-YWZLYKJASA-N 375.469 1.407 0 50 GDAA CO[C@H](C)c1nnc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 1506423927 AAQWZLQDUHLKOJ-SECBINFHSA-N 388.446 1.789 0 50 GDAA OCCN1CCN(C2CCN(Cc3cncn3C3CCCCC3)CC2)CC1 1529174433 RYIBJJYYMDBIAG-UHFFFAOYSA-N 375.561 1.963 0 50 GDAA Cn1cncc1C(=O)N1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 1529145828 NKBPZHOWLGSABT-MRXNPFEDSA-N 387.871 1.785 0 50 GDAA CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3c(c1)OCO3)C2 1772703095 VEEUTNPOLZEZJM-RDJZCZTQSA-N 398.463 1.605 0 50 GDAA CCCN1C[C@H]2CN(C(=O)CSc3ccccc3NC(C)=O)C[C@@]2(CO)C1 1772817673 HGHMGUSJUVAJEK-OXJNMPFZSA-N 391.537 1.900 0 50 GDAA COc1cc(CNCC(C)(C)OC)ccc1OC[C@H](O)CN1CCSCC1 12025241 CXOHYYOEJLSMDI-QGZVFWFLSA-N 398.569 1.998 0 50 GDAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2ncccn2)CC1 12094617 BJBSZDNKBPJHRL-UHFFFAOYSA-N 377.452 1.663 0 50 GDAA CC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@H]2CCCCO2)CC1 12594267 RDYROTHOPMWPJH-QGZVFWFLSA-N 378.521 1.713 0 50 GDAA Cn1cnnc1SCC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12708830 AKYCLKVOHMVRSE-AWEZNQCLSA-N 393.900 1.520 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1ccc(F)cc1 14541342 NPGJQYFUMFYDIF-BZSNNMDCSA-N 387.455 1.994 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccncc2)CC3)CC1 14992199 PUESPZNIYZHWIR-SFHVURJKSA-N 386.496 1.984 0 50 GDAA CCN1CCN(C2(C(=O)N[C@H](C)Cc3cnccn3)Cc3ccccc3C2)CC1 19229546 VBSNQJALNOCJJE-GOSISDBHSA-N 393.535 1.699 0 50 GDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1=O 4829879 NNHLFAYSRPVHSJ-UHFFFAOYSA-N 382.207 1.379 0 50 GDAA COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCOCC3)c(C)c2oc1=O 2843803 KNQRJHBUSVIDIA-UHFFFAOYSA-N 389.404 1.363 0 50 GDAA COCC(=O)N[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1857670007 KLDXGOIPLQIJOT-ZBFHGGJFSA-N 397.497 1.245 0 50 GDAA Cc1cccn2c(CC(=O)N[C@@H]3CC[C@H](NC(=O)c4ccc(=N)[nH]c4)C3)cnc12 1857673413 ILZPVPCHAXKBMU-CVEARBPZSA-N 392.463 1.460 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(CC3CCCCC3)C[C@@H]12)C1CCOCC1 1857687365 UETIQZGBAGIBBJ-KSZLIROESA-N 384.542 1.207 0 50 GDAA Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cnccc4C)[C@H]4CC[C@]3(C2)O4)n1 1857735950 WOHPZWABRQELAK-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA COc1c(C(=O)O)cc(-c2nccc(N3CCC(O)CC3)n2)c(OC)c1OC 1875241009 LAOSFCSZDSBHET-UHFFFAOYSA-N 389.408 1.829 0 50 GDAA CCn1c(N2CCN3[C@@H](C4CC4)COC[C@H]3C2)nc2cc(C(=O)OC)cnc21 1875246774 MKXRDJAWPWCXHH-NVXWUHKLSA-N 385.468 1.537 0 50 GDAA COc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1=O 363974167 NJDBXERNFVUGKX-MRXNPFEDSA-N 395.463 1.495 0 50 GDAA NC(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)nn1-c1ccccc1 485700347 XLCWTZYQXFZCFR-SFHVURJKSA-N 390.399 1.623 0 50 GDAA O=C(Nc1cnn(CCN2CCOCC2)c1)Nc1cccnc1N1CCCC1 264041133 DRWWCNAREKJQGZ-UHFFFAOYSA-N 385.472 1.855 0 50 GDAA NC(=O)COc1cccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 266394507 WJDIXDMXBPHMQX-UHFFFAOYSA-N 395.459 1.719 0 50 GDAA C[S@@](=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1 267416079 YZWSACKTKHEKPO-FPPDEICUSA-N 389.521 1.695 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4ccccn4)ccc3C2=O)C(=O)N1 2325901801 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CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c(C(=O)NCCOC)n1 6490193 YNKDNGDVHLNPGR-FWIFWCIWSA-N 392.456 1.355 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)n1 71754576 TUJZTTAWENPMTQ-QGZVFWFLSA-N 387.528 1.790 0 50 GDAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(=O)n(-c2ccccc2F)n1 124364329 XUEZHEBXIIVOJT-CQSZACIVSA-N 383.383 1.999 0 50 GDAA COc1ccc2c(c1)[C@](O)(CNS(=O)(=O)c1ncn(C)c1Cl)CCC2 371364911 ALWMYGNIVLGEKV-MRXNPFEDSA-N 385.873 1.585 0 50 GDAA NS(=O)(=O)[C@@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 331596160 CGTRIFCTAHRRGX-ZIAGYGMSSA-N 391.415 1.564 0 50 GDAA O=C(O)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1 262875196 YEBSYBFCKOFMML-DLBZAZTESA-N 375.446 1.634 0 50 GDAA O=C(O)c1cc(-n2cc(C(=O)O)cn2)cc(S(=O)(=O)N2CCSCC2)c1 71761371 MQDOHAYAWTXOJV-UHFFFAOYSA-N 397.434 1.006 0 50 GDAA CC[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71751250 NAAJRCUCQVWSNI-GOSISDBHSA-N 382.464 1.661 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC[C@@]2(CCNC2)C1 377582560 FZVAMPPZEPNMBX-IBGZPJMESA-N 377.510 1.591 0 50 GDAA C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CCS1(=O)=O 245659252 HAPPVAKKJKOMBC-LYRGGWFBSA-N 387.452 1.539 0 50 GDAA CN(C)CCN1CC2(CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)OC1=O 77521384 SKKOSLQJETUUAH-UHFFFAOYSA-N 382.848 1.017 0 50 GDAA CCN1C[C@]2(CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)CCC1=O 77538226 ODKQOMJNJFTSAE-INIZCTEOSA-N 388.921 1.795 0 50 GDAA Cc1ccc2nc(C(=O)N3CCc4c(ncnc4N4CCOCC4)C3)cn2c1 77471767 LNJMFLSIKBXKAP-UHFFFAOYSA-N 378.436 1.468 0 50 GDAA CN(C)CC(C)(C)CN1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72476946 AHELVVMDTBHAGA-MOPGFXCFSA-N 379.570 1.558 0 50 GDAA CO[C@H](C)c1noc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)n1 175040919 AFBNICBWIZZZHP-LLVKDONJSA-N 386.499 1.781 0 50 GDAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)C2(S(C)(=O)=O)CCC2)c1 263518075 FTGJMJWOMZVUQM-UHFFFAOYSA-N 377.422 1.785 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 46554973 LNHBCSLEJRISOG-QGZVFWFLSA-N 390.461 1.822 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc3ccccc3n2)C1 222266900 XAQMBALHXKTPIX-GASCZTMLSA-N 381.436 1.641 0 50 GDAA CCCc1nc(C(=O)N2CCC[C@H](OCCO)C2)nn1-c1ccccc1F 178654702 NUHPJHJXLPZJIC-AWEZNQCLSA-N 376.432 1.972 0 50 GDAA CNC(=O)c1cc(NC(=O)N2CCN(c3ncnc(C)c3C)CC2)ccc1F 426432098 WXJQOZWPPQQJGJ-UHFFFAOYSA-N 386.431 1.946 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)cc1Br 41096117 UVQSIMARXLGYEJ-UHFFFAOYSA-N 377.304 1.365 0 50 GDAA COCCN1CCC[C@@H](CNC(=O)N2CCN(c3ccncc3C)CC2)C1 426500047 DUOZVGAEBUIBIS-SFHVURJKSA-N 375.517 1.580 0 50 GDAA COCCn1ccnc1C1CCN(C(=O)c2nc(N)nc3c2CCCC3)CC1 95518362 BEDQVQPCBBOTEM-UHFFFAOYSA-N 384.484 1.800 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(CCCn2cnnn2)CC3)cn1 95383973 CDCUGANTEZNURF-UHFFFAOYSA-N 384.488 1.066 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)cc1C)CC2 95519988 ACHSFGXMOLXBAW-UHFFFAOYSA-N 397.479 1.584 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 269177214 JYENNXDAOIPORW-LLVKDONJSA-N 390.255 1.297 0 50 GDAA COc1ccccc1-n1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cn1 244564051 CLUWRIUIPZRGAN-CRFBAAHOSA-N 381.436 1.856 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc(OC)cc2)C1=O 252551897 UKBCSSKOXZZQGX-RRQGHBQHSA-N 391.468 1.623 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccc(OC)cc2)C1=O 252550211 SHGYGGUWNFPUOX-VBNZEHGJSA-N 377.441 1.233 0 50 GDAA c1ccc(OCCn2ccnc2)c(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 299791281 CUJKFHHOPVCREL-ICSRJNTNSA-N 380.452 1.899 0 50 GDAA O=C(Cc1cccs1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299788358 OQNWCXWFAUQAGX-QGZVFWFLSA-N 391.537 1.651 0 50 GDAA O=C(NCC1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1)[C@H]1CCCO1 828124103 NMWRVCBRISMUEK-LJQANCHMSA-N 399.491 1.566 0 50 GDAA CC(C)Cc1nc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)no1 821483413 WCUQUQVGKSEGQY-UHFFFAOYSA-N 378.454 1.974 0 50 GDAA CN(CCC(=O)NCC1(N2CCCCC2)CCCC1)[C@H]1CCS(=O)(=O)C1 670445191 IEWUJNAWCYKTPY-KRWDZBQOSA-N 385.574 1.410 0 50 GDAA O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1CC(=O)N(Cc2ccncc2)C1 670444402 KBIXAJXBZUNOSB-IBGZPJMESA-N 389.459 1.975 0 50 GDAA C[C@H]1CN(c2nccc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)n2)C[C@H]1O 1875313924 YAJLENQWUPGXSN-DZGCQCFKSA-N 377.489 1.597 0 50 GDAA CCOc1cccc(C(=O)NC[C@H]2CCCN(C(=O)CCn3cnnc3)C2)c1 952990605 RHTNEGORFKHUTR-MRXNPFEDSA-N 385.468 1.736 0 50 GDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2cccc(F)c2n1 1565528594 QOCVYLIWWAZZSQ-HOCLYGCPSA-N 375.400 1.366 0 50 GDAA CCCn1cc(C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)cn1 276602637 VORIQUOTIRABTD-INIZCTEOSA-N 387.488 1.201 0 50 GDAA COCCc1noc([C@H]2CCCN(c3cncc(C(=O)N4CCCC4)n3)C2)n1 1529112283 ITWMFTYWMKOGDA-AWEZNQCLSA-N 386.456 1.669 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704302616 AHFCJDBCCXZFLO-BGYRXZFFSA-N 383.404 1.420 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N1CCS(=O)(=O)CC1)C2 1772815177 YBWGBMIRKMFRBF-GFCCVEGCSA-N 395.506 1.777 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2Br)CC1 11566129 PXOJUMFFJRMPDO-UHFFFAOYSA-N 375.288 1.919 0 50 GDAA CC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCN2C)CC1 12705621 GRXZECKRAOPMPV-KRWDZBQOSA-N 377.537 1.238 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)NCc2csc(C(C)C)n2)CC1 12711356 CKAOUAWKWPRSFY-UHFFFAOYSA-N 377.518 1.801 0 50 GDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6728745 GIHFAEBMOQRUQI-OLZOCXBDSA-N 386.495 1.472 0 50 GDAA O=C(CCc1ccncc1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857672082 IVCKBMVNSVAGRX-HOTGVXAUSA-N 387.461 1.355 0 50 GDAA Cc1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3NC(=O)c2n[nH]c3c2CCC3)on1 1857682246 HIKQPFZTOHPUDS-IVWMJMPLSA-N 383.452 1.404 0 50 GDAA Cc1nc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)no1 1857682661 YIEYHDVVNSLHON-QGZVFWFLSA-N 390.415 1.792 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccc3c2OCCO3)[C@H]1c1cnn(C)c1 1857686778 HGIQQFBPIXTCCR-ROUUACIJSA-N 386.452 1.335 0 50 GDAA CC(C)Cc1nc(CN2CC[C@]3(C2)CN(Cc2c[nH]c(=N)s2)CCO3)no1 1857704952 MDKVVMJLIOEFEW-SFHVURJKSA-N 392.529 1.614 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cc(=O)c3ccccc3o2)CC[C@H]1O 1857715489 UQMCJXSEMPIIDL-QUCCMNQESA-N 375.421 1.405 0 50 GDAA CCN(CC)S(=O)(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857715764 GZSCCVLAMNBCBR-ROUUACIJSA-N 399.561 1.235 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCn4ccnn4)C3)nc2c1 1857722102 BNLPBANVQHIKFB-CQSZACIVSA-N 384.440 1.851 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1F 1857729949 KCLPELJZZFEKIC-LESCRADOSA-N 398.456 1.581 0 50 GDAA Cc1ncsc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857731130 AILQDCVTQIUUHJ-ILXRZTDVSA-N 375.498 1.808 0 50 GDAA CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c1 328594832 CQIAUDBRGOCHBV-GFCCVEGCSA-N 387.429 1.715 0 50 GDAA Cc1ccc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1N1CCNC1=O 1875250446 ZFWNTQRSGQSZBH-IEBWSBKVSA-N 384.480 1.460 0 50 GDAA Cc1noc([C@@H]2CN(C3CN(C(=O)c4nn5c(c4C)CCCC5)C3)CCO2)n1 2325792596 XEDFJTAWFQTSJH-INIZCTEOSA-N 386.456 1.117 0 50 GDAA O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CC[C@H](N2CC(O)C2)C1 2325802711 WYZBJTHFUQPNOY-WMZOPIPTSA-N 379.460 1.484 0 50 GDAA COc1nc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)nn1C 2356161924 PZTRPBRRQHCMBK-HXUWFJFHSA-N 383.452 1.621 0 50 GDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC[C@H](CO)C3)nc2)CC1 67788252 GWVLEBIXOWLCLV-KRWDZBQOSA-N 386.496 1.375 0 50 GDAA CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)n(-c2ccccc2)n1 170625319 VSTGRGWHUYLYJQ-UHFFFAOYSA-N 376.482 1.713 0 50 GDAA O=C(NCc1ccccc1)N1CCN(Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]21 72438767 HZMQUUABJSHMLL-MSOLQXFVSA-N 389.477 1.473 0 50 GDAA Cc1cnccc1NCCNC(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 72171642 SAPYQOCKLUUQMA-LJQANCHMSA-N 387.528 1.689 0 50 GDAA O=C(NCc1nc[nH]n1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71775610 KAIPIBJZGPEZHT-LJQANCHMSA-N 396.539 1.840 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC3(CCN(C)C3=O)CC2)cc1C(=O)O 365673370 QMNRXWWUXPZRPP-UHFFFAOYSA-N 396.465 1.417 0 50 GDAA CN(CCn1cccn1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71765288 WEXOVOXQMLCCQH-SFHVURJKSA-N 387.528 1.455 0 50 GDAA COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72437799 UVMPXGFEQMTFRL-UONOGXRCSA-N 399.513 1.399 0 50 GDAA Cc1nc2n(n1)C[C@H](NC(=O)N1CCC=C(c3cn(C(C)C)nn3)CC1)CC2 333782825 VSRCIHUEOWIIHL-MRXNPFEDSA-N 384.488 1.963 0 50 GDAA CCc1nccn1CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215108264 ADTPNFSRPBSFCF-UHFFFAOYSA-N 376.482 1.660 0 50 GDAA CCNc1ncc(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72453819 NQJITHOYNBGKFI-SJORKVTESA-N 379.530 1.158 0 50 GDAA O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)O)C2)s1 34928796 WYXLMYBTYWBMMF-SECBINFHSA-N 378.385 1.866 0 50 GDAA CN(CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1)C1CCCC1 219193077 WTRSJYDEBYKYFP-QZTJIDSGSA-N 376.453 1.912 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2sccc2S(N)(=O)=O)CCCN1CC1CC1 71614511 WLKHGKGIINZBAZ-AWEZNQCLSA-N 385.555 1.978 0 50 GDAA CC(C)(C)c1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)[nH]n1 72155863 PMDOETSUGVDSTQ-KRWDZBQOSA-N 383.496 1.714 0 50 GDAA CCC1(NC(=O)C[C@H]2COc3ccc(C(=O)NCCOC)cc3N2C)CC1 71762105 ISTVMNJMGYTDMY-HNNXBMFYSA-N 375.469 1.709 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCCO 72153826 MUFOGBCGBWTVEK-FQEVSTJZSA-N 381.476 1.543 0 50 GDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCCC[C@H]3CO)c12 72425334 QSYIBUSBASMZAJ-INIZCTEOSA-N 381.484 1.992 0 50 GDAA CN1CCC[C@]2(CCN(C(=O)NCc3cccc(NS(C)(=O)=O)c3)C2)C1 457597508 ROVXMISXGFCYDO-SFHVURJKSA-N 380.514 1.685 0 50 GDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2nc(-c3cccnc3)no2)C1 426538398 PEJYVXKDOHHJST-GFCCVEGCSA-N 379.442 1.098 0 50 GDAA COc1cc(NC(=O)N(C)Cc2noc(C3CCC3)n2)cc(-n2cnnn2)c1 96136132 OJLBLFYMWJJCIF-UHFFFAOYSA-N 384.400 1.985 0 50 GDAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)C1CCN(C2CCOCC2)CC1 426387337 VSEFCRSOKBALQW-UHFFFAOYSA-N 384.484 1.416 0 50 GDAA Cc1n[nH]c(CC(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 91548675 GMRFNFAHRYEANH-HNNXBMFYSA-N 375.473 1.066 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccc(OC)cc2)C1=O 252550208 SHGYGGUWNFPUOX-APHBMKBZSA-N 377.441 1.233 0 50 GDAA C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@H](CN)C1 299738425 AROSRLXDOFGTOW-NEPJUHHUSA-N 389.315 1.666 0 50 GDAA O=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CCN([C@@H]1CCOC1)CC2 1940193637 UXXYIASSEWBEQU-OAHLLOKOSA-N 384.436 1.189 0 50 GDAA Cc1noc(C2CC(NC[C@]3(CO)COC[C@@H](C)N3Cc3ccccc3)C2)n1 1875392609 KHGCGGHXFVWDCB-MVWAKERRSA-N 386.496 1.866 0 50 GDAA COCCN(CCNC(=O)[C@H]1CSCCS1)C(=O)CC1CC(F)C1 1875348154 YXPAVGHHKRDGJM-JXQTWKCFSA-N 378.535 1.564 0 50 GDAA C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@H](O)c1ccc(F)cc1 269625112 YABCHRDIGRBBFF-CFDPKNGZSA-N 391.443 1.865 0 50 GDAA CCCc1cc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n(C)n1 1565512317 YNYIZCLBXQUQGP-RDJZCZTQSA-N 377.514 1.503 0 50 GDAA CCn1nccc1S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCCCO2)C(=O)O 277237872 KFNAEZGPQAUJFJ-CYBMUJFWSA-N 395.437 1.039 0 50 GDAA O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCCN(c2cccnn2)CC1 109631588 GKBPAUMEBNKTRH-OAQYLSRUSA-N 395.507 1.713 0 50 GDAA CN(C)S(=O)(=O)c1ccc(CN2C(=O)Nc3ccccc3S2(=O)=O)cc1 765626129 XYKDQXHCJLBWFG-UHFFFAOYSA-N 395.462 1.673 0 50 GDAA CCc1ccc2nc(N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc(C)c2c1 1529154926 LXEHWEOCPYLZNG-MAUKXSAKSA-N 377.510 1.794 0 50 GDAA CN(C)C1=NC2(CCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)C(=O)N1 1704337691 CATFFMFFGRZKCH-UHFFFAOYSA-N 384.484 1.094 0 50 GDAA Cc1nn(C)cc1C(=O)N[C@]1(C)CCOC2(CCN(c3ccccn3)CC2)[C@H]1O 1772707901 YPOFACPEERNPTQ-VQTJNVASSA-N 399.495 1.432 0 50 GDAA O=C(CCNS(=O)(=O)c1ccccc1)Nc1nnc(C(F)(F)F)s1 12865879 CLMPCFBHLDDCMD-UHFFFAOYSA-N 380.373 1.864 0 50 GDAA COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1Cl 6140683 IGTWDRDVXLWBTP-UHFFFAOYSA-N 383.857 1.681 0 50 GDAA O=C(CCCn1ccccc1=O)N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531435 UKMXDARTUNGGHC-BPUTZDHNSA-N 378.860 1.434 0 50 GDAA O=C(O)c1n[nH]c2c1CN(C(=O)c1cccc(NC(=O)[C@@H]3CCCO3)c1)CC2 1857670926 HNJWSXWAEYFQLO-HNNXBMFYSA-N 384.392 1.424 0 50 GDAA Cc1ccc2c(C)c(C(=O)N[C@H]3CC[C@@H](NC(=O)Cn4cnnn4)C3)oc2c1 1857686335 RJKJDTIKLVQTCI-KGLIPLIRSA-N 382.424 1.503 0 50 GDAA CN(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857714752 KJYPGWJYYDRDIQ-OWCLPIDISA-N 380.876 1.242 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2cnc3ccccn23)[C@@H]1c1cnn(C)c1C 328627901 NDEJIOGOGNGERX-HRAATJIYSA-N 396.495 1.702 0 50 GDAA Cc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2Cn2cncn2)n[nH]1 328734552 KCEDXCHTWOVEFN-OAHLLOKOSA-N 387.469 1.669 0 50 GDAA O=C(NCc1ccc2c(c1)CCCC2)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 247802768 WRPODUMSIISQGA-PMACEKPBSA-N 385.508 1.266 0 50 GDAA CCCCc1nnc(NC(=O)CN2CCN(Cc3noc(C)n3)CC2)s1 137372532 ADEQGDMCXKPSAK-UHFFFAOYSA-N 379.490 1.328 0 50 GDAA Cn1ccnc1-c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 154154453 DDLLTPZTEDCWLT-UHFFFAOYSA-N 390.403 1.285 0 50 GDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100483986 XAKGSBOBSKBPDL-XEIOYGOASA-N 383.496 1.973 0 50 GDAA CN(C)CCn1cc(C(=O)N2CCc3[nH]c4ccc(F)cc4c(=O)c3C2)nn1 2325803644 RZMIYIOOWOXGOD-UHFFFAOYSA-N 384.415 1.019 0 50 GDAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356157417 JYNSBPKCFDGANY-HXUWFJFHSA-N 383.452 1.627 0 50 GDAA C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2cncc(F)c2)CC1 225523714 VCFVGDZWGIDMOF-OAHLLOKOSA-N 385.443 1.757 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCN(c2ccccc2F)C1=O 112260616 HILZOWIUIMADOX-INIZCTEOSA-N 380.383 1.266 0 50 GDAA COc1ccc(CNCCN2CCOCC2)cc1OC[C@@H](O)CN(C)C(C)C 23374787 YUUXBMAZGHPVOD-IBGZPJMESA-N 395.544 1.197 0 50 GDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67854771 JUJMWMPLKUIATD-CQSZACIVSA-N 387.392 1.675 0 50 GDAA Cc1cccc([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n1 67690379 QFSMAYUDAOQIOT-SNVBAGLBSA-N 381.479 1.835 0 50 GDAA C[C@H](CNS(=O)(=O)CC1CCOCC1)N1CCN(c2ccccc2)CC1 173029415 DRTBLAZIZXBVNF-QGZVFWFLSA-N 381.542 1.543 0 50 GDAA O=C(c1cc(F)cc2[nH]cnc12)N1CCN(S(=O)(=O)c2cccnc2)CC1 126934672 KYLQHYZFISBWAS-UHFFFAOYSA-N 389.412 1.244 0 50 GDAA CN1C(=O)COc2ccc(-c3nn(CCC(=O)O)c(=O)c4ccccc34)cc21 71785262 CBOJZCWATVBWRZ-UHFFFAOYSA-N 379.372 1.893 0 50 GDAA CCc1noc(CN2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 71756825 MUMSMOAYTFWMSC-HNNXBMFYSA-N 379.505 1.071 0 50 GDAA CCc1c(C)cc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)c(=O)n1C 215344743 UVNCJASNMKYPMU-UHFFFAOYSA-N 380.441 1.599 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)COC[C@H]3CCCCO3)CC2)c1 77341932 BLTXYQKQWHQUNW-GOSISDBHSA-N 376.453 1.565 0 50 GDAA C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 155330224 YXYCHEBUHJKYDB-UGKGYDQZSA-N 387.572 1.976 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1 366497592 NIKKUWZHSGFQIN-GHTZIAJQSA-N 395.507 1.592 0 50 GDAA Cc1cccn2c(=O)cc(CN3CCC(Oc4ccnc(C(N)=O)c4)CC3)nc12 367548595 DDEUTYZWZCCSNV-UHFFFAOYSA-N 393.447 1.540 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 238091674 ZGPTZHPDDWCQNY-QWRGUYRKSA-N 381.226 1.735 0 50 GDAA O=S(=O)(c1ccc(NC(=S)Nc2cccnc2)cc1)N1CCOCC1 16215277 RQWXHQAQCYHJSI-UHFFFAOYSA-N 378.479 1.911 0 50 GDAA Cn1cc(CN[C@H]2C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3C2)c(-c2ccccc2)n1 14538155 KUJYRWHMVLXSKD-KSZLIROESA-N 379.464 1.151 0 50 GDAA Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)ccn1 287219398 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Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C(=O)O)c1 299750054 MOAKMNDZHUBMRI-QZTJIDSGSA-N 395.459 1.798 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2COc3c(cccc3OC)C2)cs1 823836859 MYNXLJQSIOJNQK-LLVKDONJSA-N 382.463 1.398 0 50 GDAA O=C1NCCN2CCN(C(=O)c3ccc(-c4ccc5c(c4)OCC5)cc3)C[C@@H]12 584887207 ZNGSIERJGKIBKA-IBGZPJMESA-N 377.444 1.545 0 50 GDAA NC(=O)c1cccc(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)c2cnsn2)C3)c1 1875308074 RQIAEGWYDQLVGJ-LIRRHRJNSA-N 399.476 1.309 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 1875372156 XZNOWZQUHALSHT-ZDUSSCGKSA-N 381.454 1.059 0 50 GDAA CNc1cnc(-c2noc([C@@H]3CCc4nnn(C5CCN(C)CC5)c4C3)n2)cn1 952895692 VZEGJWSQRZEDCZ-GFCCVEGCSA-N 395.471 1.699 0 50 GDAA CN1Cc2nncn2C[C@H]1c1nc(-c2ccc(CN3CCOCC3)cc2)no1 952892753 CIYIWZYJWIUFTN-INIZCTEOSA-N 381.440 1.347 0 50 GDAA CCCc1nccn1[C@@H]1CCCN(c2cnn(CC(N)=O)c(=O)c2Cl)C1 1875294369 GILAXEYFXXJDNY-GFCCVEGCSA-N 378.864 1.373 0 50 GDAA COc1cccc(N2CCN(C(=O)CSc3nncn3C)[C@@H](C)C2=O)c1 952980680 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384.464 1.931 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(O)(CN2CCCC2)CC1 1506399881 RFEIUNHAVGBDDN-UHFFFAOYSA-N 382.526 1.923 0 50 GDAA O=C1CO[C@H](C(=O)NCc2noc(C3CC3)n2)[C@@H](c2ccccc2Cl)N1 1529181310 REXDYXDYTVOWQH-CABCVRRESA-N 376.800 1.473 0 50 GDAA COc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc(OC)c1OC 1529181399 NRDMZCFOVSLYKR-UKRRQHHQSA-N 375.425 1.420 0 50 GDAA O=C(NC[C@@H](O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1068097 QWXRPDXBKFFMMM-GOSISDBHSA-N 390.461 1.171 0 50 GDAA Cc1cc(CC(=O)N2CCCN(C(=O)Cc3cn4ccsc4n3)CC2)on1 1704299058 MIRJYSOIPLQNPU-UHFFFAOYSA-N 387.465 1.538 0 50 GDAA CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 817198 RLKGPEDISLVNJF-UHFFFAOYSA-N 378.450 1.954 0 50 GDAA OC[C@@]12CN(CCCn3ccnc3)C[C@@H]1CN(Cc1c(F)cccc1F)C2 1772813391 ZGGGMSJJRPBDHC-UZLBHIALSA-N 376.451 1.978 0 50 GDAA CCCCn1c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CC 11663399 YVDURRFTODUSBZ-HNNXBMFYSA-N 384.546 1.966 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(C)n(C)n2)cc1 12457717 DSSCCCFIWKPETN-LJQANCHMSA-N 399.495 1.134 0 50 GDAA CC(=O)NCC[C@H]1CCCCN1c1nc2nonc2nc1N1CCSCC1 12586891 VNHAPCIQMRPURM-CYBMUJFWSA-N 391.501 1.451 0 50 GDAA Cc1ccccc1-c1ncc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)cn1 12715561 PSKXDMRWNHQHHL-NHCUHLMSSA-N 382.508 1.844 0 50 GDAA COc1ccccc1CN[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14534858 JXYLYGBXFIFTHP-OTWHNJEPSA-N 379.460 1.495 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCc1ccccn1 15075767 SLMIYFFXYSTRBP-LJQANCHMSA-N 395.507 1.998 0 50 GDAA CCOCCC(=O)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857708289 ZMUAOACGGVAUIB-HXUWFJFHSA-N 390.484 1.252 0 50 GDAA Cc1ccn2c(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3cnn(C)c3)c(C)nc2c1 1857720237 KLQWHQGTMHHTIW-PXNSSMCTSA-N 396.495 1.829 0 50 GDAA O=C(CCc1cnccn1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733578 PLGFCAXBLDHGRJ-OPYAIIAOSA-N 378.432 1.710 0 50 GDAA COc1cccc(NC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c1 127984886 AWSGRLUCBIMBND-UHFFFAOYSA-N 396.451 1.242 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCSC)c(F)c1 11879142 ZHQQQDUKUGQNPG-MRXNPFEDSA-N 383.489 1.394 0 50 GDAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1n[nH]c(=O)c2ccccc12 248042890 PITSZYDYXKJIDJ-CABCVRRESA-N 392.463 1.691 0 50 GDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3c3noc(C)n3)cc21 371047243 BHDKUJVTHLDPRD-HNNXBMFYSA-N 376.438 1.813 0 50 GDAA COc1ccc(CC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1F 378531026 SNITYUHXRGDKRQ-UHFFFAOYSA-N 384.473 1.098 0 50 GDAA O=C(NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(O)cc1 266626186 WCZCHCIDOPQLSP-QGZVFWFLSA-N 396.447 1.186 0 50 GDAA O=C(Nc1cnc2sccn2c1=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 2100473701 TVMPJZLDJCCZET-CYBMUJFWSA-N 376.438 1.112 0 50 GDAA NC(=O)Cc1nc(-c2ccc3cccc(F)c3n2)n([C@H]2CCS(=O)(=O)C2)n1 2100544728 HAROATUMMLKGBE-NSHDSACASA-N 389.412 1.020 0 50 GDAA COc1ccc(N2C(=O)CS[C@@]23C(=O)N(CC(N)=O)c2ccccc23)cc1 6997305 LIFCFILTAVHTJZ-IBGZPJMESA-N 383.429 1.460 0 50 GDAA CC(=O)OCC1CCN(S(=O)(=O)N2CCC(c3cnn(C)c3)CC2)CC1 2325775857 FPPFFANERQQOHD-UHFFFAOYSA-N 384.502 1.119 0 50 GDAA O=C(NCc1cc(-c2cccc(Cl)c2)on1)C(=O)N1CC[C@@](F)(CO)C1 2325783889 JITLFYVTSRGDMZ-KRWDZBQOSA-N 381.791 1.544 0 50 GDAA Cc1ccn2c(=O)c(C(=O)N3CCN(c4ccc(F)cn4)C[C@H]3C)cnc2c1 2325796517 WDPMHIIWGZNETC-CQSZACIVSA-N 381.411 1.888 0 50 GDAA COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 870114 KWCFLHTTYUOTJK-UHFFFAOYSA-N 377.418 1.822 0 50 GDAA O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1126067 MEYSEVNMBDUYML-UHFFFAOYSA-N 389.477 1.598 0 50 GDAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 8380661 JTVDUVCBVHPHGV-KRWDZBQOSA-N 380.510 1.932 0 50 GDAA O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 9485407 PPAPBOLLHMLSPW-UHFFFAOYSA-N 375.392 1.460 0 50 GDAA CC[C@H](C)n1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 10233567 GJNGJEJHISKTPV-AWEZNQCLSA-N 386.500 1.915 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)NCCc1cnn(-c2ccccc2)c1 12030385 NPSNZSQTORCZLZ-UHFFFAOYSA-N 382.472 1.058 0 50 GDAA Cc1csc(CNC(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1 12205084 VLBNOECANQFTRU-QGZVFWFLSA-N 384.505 1.426 0 50 GDAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(Cc1ccccc1)CC2 14533029 LKWVABMMFREVRD-UHFFFAOYSA-N 389.452 1.105 0 50 GDAA C[C@@H](C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21)c1ccccc1 15071074 DAJZYCPLVJBKQE-NXHRZFHOSA-N 379.526 1.909 0 50 GDAA Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1 19832595 DYYLWGITKICOQY-UHFFFAOYSA-N 384.436 1.101 0 50 GDAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20168650 WFHTYVWFTXCSCR-GOSISDBHSA-N 398.507 1.745 0 50 GDAA O=C(N[C@H]1CN[C@H](C(=O)NCc2noc(-c3ccco3)n2)C1)c1ccc(F)cc1 67713351 AYLSYKYCWSMOIO-KGLIPLIRSA-N 399.382 1.245 0 50 GDAA O=C(c1ccc[nH]c1=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67804385 LZQLKARYKHTMPH-MRXNPFEDSA-N 386.496 1.314 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)CN2CCc3ccccc3C2)CC1 67947897 YXBKUBFFMLXGSG-UHFFFAOYSA-N 379.508 1.508 0 50 GDAA Cc1cc(CN2CCN(Cc3[nH]cnc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 72419568 LATYCUZYZHYNPF-RBUKOAKNSA-N 392.500 1.649 0 50 GDAA Cc1c(Cl)c(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)nn1C 82135048 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GDAA C=CC(=O)NCc1ccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 363339329 USGVIYIGYVCXKW-UHFFFAOYSA-N 398.507 1.259 0 50 GDAA CCN(C(=O)C[C@@H]1COc2ccc(C(=O)NCCOC)cc2N1C)C(C)C 71754063 OFVCHHPQDHGNFH-MRXNPFEDSA-N 377.485 1.907 0 50 GDAA Cc1nc(C(C)C)sc1C(=O)N1CCN(c2ncccn2)C[C@H]1C(=O)O 71762540 HPOGYZVPXPCDRF-LBPRGKRZSA-N 375.454 1.781 0 50 GDAA CC(C)Cc1noc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1 72150817 MWIJSRDNKRFKEW-HNNXBMFYSA-N 377.489 1.360 0 50 GDAA Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72437498 VZMGHVXUIKLKLW-HZPDHXFCSA-N 383.514 1.397 0 50 GDAA COC(=O)c1c(NC(=O)CN(C)Cc2cnn(C)c2C)sc(C(N)=O)c1C 17080387 WJPVHZFVPQEGRA-UHFFFAOYSA-N 393.469 1.054 0 50 GDAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)n1 222455477 HLVYVULPUZIJKM-QZTJIDSGSA-N 376.457 1.985 0 50 GDAA CCCNc1ncc(CN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cn1 220010714 YJQNCHDIODYAJP-QGZVFWFLSA-N 382.472 1.326 0 50 GDAA CCn1nccc1N1CCC[C@H](NC(=O)c2n[nH]c3c(OC)cccc23)C1=O 290261331 WTNRQHBNDSSQTK-ZDUSSCGKSA-N 382.424 1.713 0 50 GDAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1cnc(N3CCCC3)nc1)CC2 426533922 CQEPGSGAWLMLSL-CMKODMSKSA-N 376.501 1.598 0 50 GDAA O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2 426651242 HBAZFSJZLOVBHA-MRXNPFEDSA-N 388.445 1.774 0 50 GDAA CCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc2sccn2c1=O 82160347 QBFSYJVQGJRCFM-RYUDHWBXSA-N 380.445 1.615 0 50 GDAA Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91586087 PFTQGXJOLXVQIB-UONOGXRCSA-N 384.388 1.661 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)nc(SC)n1)CC2 95522137 YWYIDWIMDJBHDB-UHFFFAOYSA-N 387.513 1.794 0 50 GDAA Nc1ncc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(-c2ccccc2)n1 97772844 DDFPQNPAFICFKG-AWEZNQCLSA-N 376.420 1.829 0 50 GDAA Cn1c(=O)c(CN2C[C@@H](CN3CCOCC3)C[C@@H](CO)C2)cc2ccccc21 91518806 BIVAGHQEZFEPSU-QZTJIDSGSA-N 385.508 1.301 0 50 GDAA Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 95379271 YXDFIGSYXSNHCI-GOEBONIOSA-N 385.493 1.670 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2=O)c1 91894532 PQVJPJMVRSEAPX-HNNXBMFYSA-N 385.464 1.662 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)ccc1OC 299377611 UFNAOPBMLZWKSN-BNOWGMLFSA-N 396.465 1.461 0 50 GDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(-c2nc[nH]n2)c1 253399918 DLCZHHCYGJHEIS-HNNXBMFYSA-N 376.376 1.551 0 50 GDAA biogenic CNc1nccnc1-c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 534574413 NAOGMWLDTKOZJV-UHFFFAOYSA-N 375.436 1.938 0 50 GDAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H](N)[C@@H]2CCc3ccccc32)CC1 1875287489 LVNITJXWJUOJNN-YLJYHZDGSA-N 396.466 1.631 0 50 GDAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 1875396243 ZSUFKQKJFBTQLD-NSYGIPOTSA-N 399.538 1.509 0 50 GDAA C[C@@H](N(C)S(=O)(=O)c1cn(C)nc1-c1ccccc1)C1(S(C)(=O)=O)CC1 1875396979 ZRQGPWPOCBKNFM-CYBMUJFWSA-N 397.522 1.673 0 50 GDAA C[C@H]1CN(c2nc3ccccc3cc2C(N)=O)CCN1c1ccc2nncn2n1 1875360923 NOVPMXABNQFBOX-ZDUSSCGKSA-N 388.435 1.487 0 50 GDAA O=C(CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)Nc1nncs1 952990017 UFAHGHOLFDOHFI-GFCCVEGCSA-N 385.453 1.706 0 50 GDAA Cc1ccc(C(=O)N2CCC(NC(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)cc1 952987533 LNBOBJHOCGCBSH-OAHLLOKOSA-N 393.509 1.334 0 50 GDAA COc1cc(C)ccc1C(=O)N1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 1775991724 MLSOGWZQCWJAER-OXQOHEQNSA-N 388.468 1.315 0 50 GDAA COCCC1(C(=O)N[C@@H]2CCN(C(=O)CCc3cccs3)C[C@H](O)C2)CC1 1775997262 CZETXFRPGPZLTO-HZPDHXFCSA-N 394.537 1.966 0 50 GDAA CN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1)c1ccccn1 408521452 USUGUYXPEKAURN-HNNXBMFYSA-N 375.450 1.504 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@@H]1O 1615954334 FOVQSFDZUOPOIH-AEFFLSMTSA-N 395.525 1.001 0 50 GDAA CCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cnnc3)C[C@]2(CCc2ccccc2)C1 1772711336 XXWKEHFKJNFPMY-KNQAVFIVSA-N 395.507 1.998 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCOCC2)c(F)c1 11817081 CLFUTBSAWVRDAH-SFHVURJKSA-N 393.459 1.162 0 50 GDAA CC(C)NC(=O)c1cn(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 12038886 BBEWTAJOGMMQJZ-SFHVURJKSA-N 383.452 1.584 0 50 GDAA COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 13815695 MEHZRNQGXGACRW-UHFFFAOYSA-N 395.419 1.069 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccc(F)cc1 14530908 WGWDAJSXQYEMFU-KSZLIROESA-N 381.407 1.266 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(SC)nc3)C2)CC1 19228530 KMQLXLZSGDEMLH-INIZCTEOSA-N 379.530 1.937 0 50 GDAA COc1ccc(CCCC(=O)N2CCO[C@]3(CCN(CC(=O)O)C3)C2)cc1 1857682931 MRLVBAXAFZAXAN-FQEVSTJZSA-N 376.453 1.406 0 50 GDAA O=C(CCCn1cccn1)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857697995 CQASVTXMVOQWQW-GJZGRUSLSA-N 390.465 1.004 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3ccnc(C)c3)CC2=O)s1 1857717455 UHCOWXWPXGCASE-ZDUSSCGKSA-N 375.454 1.447 0 50 GDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCN(c2nc[nH]n2)CC1 1857722817 OVYXCSRQRCBXDI-AWEZNQCLSA-N 396.455 1.296 0 50 GDAA COC(=O)c1ccc[n+]2c1S[C@@H]1[C@H]3CC[C@@H]([C@H](C(=O)OC)[C@@H]3C(=O)OC)[C@@H]12 247867769 YNGCCQJHEMKPRB-LRWRMMADSA-N 392.453 1.394 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCc1ncc2c(n1)CCC2 820573985 MKEKCKWTMCLZQB-LJQANCHMSA-N 395.438 1.949 0 50 GDAA O=C1CC[C@@H](N2Cc3c(NC(=O)Cc4ccccc4)cccc3C2=O)C(=O)N1 1857798245 XHKDUFUAWQHHCH-QGZVFWFLSA-N 377.400 1.629 0 50 GDAA CCOC(=O)C1=C(CSCC(=O)O[C@H](C)c2cccnc2)NC(=O)N[C@@H]1C 2325728929 CCAJZMZEIBPCKD-VXGBXAGGSA-N 393.465 1.938 0 50 GDAA Cc1coc(CN2C[C@H](CC(=O)N[C@@H]3CCn4nccc4C3)OCC23CCC3)n1 2325785455 ZWOKAHSACHQTDL-AEFFLSMTSA-N 399.495 1.824 0 50 GDAA CCCN(C(=O)CNC(=O)CC(C)(C)C)[C@H]1CCN([C@H]2CCN(C)C2=O)C1 2325793991 NLHSGGFUSAXJTP-HOTGVXAUSA-N 380.533 1.082 0 50 GDAA CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@H](C2CC2)C1 2325811037 ZCPOQTOXPVTOSJ-WMZOPIPTSA-N 394.493 1.411 0 50 GDAA CC1(C)[C@@H](O)C[C@@]1(NS(=O)(=O)c1cc(Cl)cc2cccnc12)C(=O)O 2325851868 LNYCVWTXNUFMTO-BLLLJJGKSA-N 384.841 1.781 0 50 GDAA Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 2325865162 PNDQNZCKDMJPFZ-UHFFFAOYSA-N 379.847 1.688 0 50 GDAA O=C(NCCCOc1cccnc1)c1cn(C[C@H]2COc3ccccc3O2)nn1 11668239 HIPISKGSJIKMFP-INIZCTEOSA-N 395.419 1.712 0 50 GDAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC(N2CCC[C@H](O)C2)CC1 11874022 APBPTUBAHOLUJV-FQEVSTJZSA-N 397.523 1.972 0 50 GDAA O=C(NCc1ccc2nonc2c1)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12320357 WTAMFFAGPQESEX-HNNXBMFYSA-N 379.420 1.715 0 50 GDAA COCCCN1C(=O)C[C@@](CC(=O)N(C)C(C)C)(c2ccccc2OC)C1=O 14988398 IUJBIGXIAYBEKK-NRFANRHFSA-N 390.480 1.985 0 50 GDAA Cc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)n1 15064417 HBJXHEOAJRTOTA-FQEVSTJZSA-N 380.492 1.748 0 50 GDAA O=C(NCCCN1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1 23006313 IWLXZYQXIITHEN-UHFFFAOYSA-N 381.498 1.069 0 50 GDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(n2cc(C3CCCCC3)nn2)CC1 23399472 MJNSZOVVVUFZPO-OAHLLOKOSA-N 395.529 1.859 0 50 GDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@@H](Cc1ccccc1)C(=O)O 49547950 DMSHJYSWKQMDLE-SFHVURJKSA-N 395.390 1.862 0 50 GDAA Cc1noc(C)c1NC(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)NC2=O)CC1 67805032 IGYIZDJBARCHCN-IBGZPJMESA-N 398.423 1.665 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCC(N(C)C)CC3)C2=O)c1 67818612 NSAFWUHBAPQEDN-NRFANRHFSA-N 393.503 1.714 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 67834428 DSKGHGMAVXZEIV-STQMWFEESA-N 380.297 1.361 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2O)CCCN1CC1CC1 71746431 BHAJMMQAWHZWHE-SFHVURJKSA-N 384.484 1.950 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CN2CCNCC2)CCCN1Cc1ccc(F)cc1 71776394 YMPMAWMIBCAKHZ-FQEVSTJZSA-N 376.520 1.790 0 50 GDAA CCOc1ccccc1CN1CCN(Cc2ncc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72417862 CSFVETHGNBUTMP-SJORKVTESA-N 390.509 1.292 0 50 GDAA COCCN1CC2(CCC1=O)CCN(CC(=O)Nc1cn(C)nc1C)CC2 91586710 IRIONTBGWRUYEE-UHFFFAOYSA-N 377.489 1.018 0 50 GDAA COc1cc(CN(C)C2CCOCC2)ccc1OC[C@@H](O)CN1CCOCC1 95504080 SAOKSGTVLRHVAE-IBGZPJMESA-N 394.512 1.378 0 50 GDAA CN1CCN(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)CC1 95508509 UYPZGZLDEINNBS-AWEZNQCLSA-N 386.543 1.106 0 50 GDAA CCN(CC)C[C@@H](O)COc1cc(CN2CCN(C)C(=O)C2)ccc1OC 95509528 LZPFOOOPRFPMIL-QGZVFWFLSA-N 379.501 1.051 0 50 GDAA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1CN1CCOCC1 174562791 DOSYFIXDQKIXAO-NHCUHLMSSA-N 387.524 1.601 0 50 GDAA O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCS(=O)(=O)c2ccccc2C1 185005230 IPYRWTFAPPLHTP-INIZCTEOSA-N 386.477 1.659 0 50 GDAA COC(=O)[C@@]1(CC(C)C)N[C@@H](c2cnn(C)c2C2CC2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210415320 UVMXVGLLDZOHOT-KZDUYQQSSA-N 388.468 1.131 0 50 GDAA COc1cncc([C@H](NC(=O)c2csc(CN(C)C)n2)[C@H]2C[C@@H](O)C2)c1 220366412 BZZRDRYOUNDQFZ-CJBNDPTMSA-N 376.482 1.850 0 50 GDAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCOc3ccccc3C1)C2 221282108 NJJRECVJOFVHJX-LJQANCHMSA-N 384.480 1.953 0 50 GDAA C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 237403354 ZKAJZDPJPWSKIY-CJNGLKHVSA-N 379.486 1.285 0 50 GDAA COc1ccc(CN(CC(C)C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1 244719120 LXIMMUZBNFHQMX-OAHLLOKOSA-N 386.452 1.294 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccs2)n[nH]1 253415019 ZJWYOKDJMJVPTE-LLVKDONJSA-N 382.405 1.613 0 50 GDAA biogenic C=CC(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C 258833538 KOTSTJAVYLTVNE-UHFFFAOYSA-N 376.446 1.514 0 50 GDAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 261774304 RULXTTIPFVLHCF-HNNXBMFYSA-N 383.452 1.463 0 50 GDAA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)[C@H](C(=O)O)C1 283064509 UHFOHEDIIFNHHQ-GHMZBOCLSA-N 395.355 1.810 0 50 GDAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccnc3c1nnn3C)CC2 283929488 YPYVMIZBCFRYSV-CQSZACIVSA-N 397.508 1.947 0 50 GDAA CN(Cc1nncn1C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 288545403 YXALYTWFRKHGNR-UHFFFAOYSA-N 391.497 1.191 0 50 GDAA Cc1cnc(C)c(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299779698 IJINLXLBWHFQSZ-LJQANCHMSA-N 387.528 1.855 0 50 GDAA COc1cc(NS(=O)(=O)CC2CCS(=O)(=O)CC2)c(OC)cc1Cl 328589810 HSFDJPJGLDPASA-UHFFFAOYSA-N 397.902 1.924 0 50 GDAA CN1CCN(C(=O)CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)CC1 363528158 ASGNJYSIEGNTHG-KRWDZBQOSA-N 380.439 1.975 0 50 GDAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCNC(=O)c1cccnc1 371651194 YPEWTIZNEZGUBO-QFBILLFUSA-N 396.495 1.416 0 50 GDAA Cn1cc([C@H](O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)c(=O)n(C)c1=O 372229104 SENYYCMJHFEMBY-OAHLLOKOSA-N 398.385 1.448 0 50 GDAA C[C@H](O)c1ncc(CNc2cnn(CC(=O)N3CCOC(C)(C)C3)c2)s1 377632972 YOBGYEXUXJQAIG-LBPRGKRZSA-N 379.486 1.642 0 50 GDAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN2C(=O)OC[C@H]2C1 426360400 PJEOUUPJMICRBE-SECBINFHSA-N 379.722 1.184 0 50 GDAA O=C(NCc1cc2n(n1)CCCNC2)N[C@H](Cn1ccnc1)c1ccccc1 426506560 GKEMGDKZFXYIRS-LJQANCHMSA-N 379.468 1.814 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c2c1CCCC2 426526885 OEXHJCXGJQGQQX-GDBMZVCRSA-N 375.498 1.121 0 50 GDAA NS(=O)(=O)c1ccccc1CNC(=O)N1CCOC[C@@H]1c1ccc(F)cc1 458770503 PYBSFTRBUUAAHF-MRXNPFEDSA-N 393.440 1.756 0 50 GDAA CN(C)C1=NC2(CCN(C(=O)NCc3ccc4c(c3)CCCC4)CC2)C(=O)N1 584888081 KQKSHRRYWJJXJN-UHFFFAOYSA-N 383.496 1.657 0 50 GDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)NCc1noc(C(C)C)n1 824742921 XFMAZPQUYFJJGA-UHFFFAOYSA-N 377.426 1.866 0 50 GDAA Cn1cncc1C(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 828202264 UWSSHTDSNGUXDB-INIZCTEOSA-N 390.509 1.336 0 50 GDAA Cc1ncnc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C 881758809 UXMHLRLWNCTZNE-UHFFFAOYSA-N 390.494 1.609 0 50 GDAA COc1cccc(S(=O)(=O)N2CCC(CNC(=O)c3cncnc3)CC2)c1 952986862 LFFZZVZSEUOVDN-UHFFFAOYSA-N 390.465 1.316 0 50 GDAA COc1ccc(NC(=O)c2ccc(-c3nnn(C)n3)cc2)cc1C(=O)N(C)C 952990275 HPPWIMYNCCNMGN-UHFFFAOYSA-N 380.408 1.840 0 50 GDAA O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1c(F)c(F)cc(F)c1F 1325315007 GHZSKIKIHARAEP-UHFFFAOYSA-N 384.285 1.904 0 50 GDAA O=C(CN1C(=O)CNC1=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704303779 OIVQMTZPGNWKLR-UHFFFAOYSA-N 382.420 1.110 0 50 GDAA CCc1ncnc(N2C[C@@H]3CN(C(=O)Cc4ccccc4)C[C@@]3(CO)C2)c1F 1772804594 BRPBAQQUNDCDJK-KKSFZXQISA-N 384.455 1.678 0 50 GDAA O=C1C[C@H]2CN(C(=O)c3ccc4c(c3)nc(O)n4[C@H]3CC[C@H](O)CC3)C[C@H]2N1 1857677397 ZTNCACPYFVDETP-RZLSGREXSA-N 384.436 1.178 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc3n(n2)CCN(C)C3=O)n1 1857680315 KJNLLDUUZQEIRW-UHFFFAOYSA-N 382.346 1.058 0 50 GDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCc1cn[nH]c1 1857688329 DGJLZCRPYTVUAL-GOSISDBHSA-N 393.495 1.555 0 50 GDAA COCCNC(=O)[C@@H]1C[C@@H]2CN(c3cnccn3)CC(=O)N2[C@@H]1c1ccccc1 1857689829 MBFMXEYIQDMMPJ-MBOZVWFJSA-N 395.463 1.018 0 50 GDAA O=C(CCC(F)(F)F)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ncc[nH]1 1857718141 AMXPYTDHMAIPFH-NXEZZACHSA-N 391.375 1.070 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cn3c(n1)CCNCC3)CC2 1857724166 OGFCFEZRYDHWDK-UHFFFAOYSA-N 390.491 1.670 0 50 GDAA CS[C@@H](C)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857737885 HVFYOAHEUKLKQV-ZDUSSCGKSA-N 392.525 1.577 0 50 GDAA Cc1cc(C)n(CC(=O)NCc2cnc3c(c2)CN(C(=O)c2ccc[nH]2)CC3)n1 1875248247 FYKWPEFUDZBDMQ-UHFFFAOYSA-N 392.463 1.738 0 50 GDAA C[C@@]12CN(C(=O)N3CCO[C@@H](c4cccs4)C3)C[C@]1(C)CS(=O)(=O)C2 1875316191 ZNAATQFLFYBYCM-XYPHTWIQSA-N 384.523 1.998 0 50 GDAA Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)nn1-c1ccccc1 1875319321 XHRBFAWCGPPPEQ-UHFFFAOYSA-N 385.405 1.707 0 50 GDAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)cs1 1875329617 AMOYGZJKHYOKTH-OAHLLOKOSA-N 385.497 1.934 0 50 GDAA CCc1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2cccc(N)c2N)C12CCC2 1875330455 YGHCUNKOWJZQON-OAHLLOKOSA-N 383.452 1.969 0 50 GDAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 1875383161 JIWMELDHCNIJDS-HMFYCAOWSA-N 383.492 1.906 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3ncc[nH]3)CC[C@H]2O)c(F)c1 1940197909 ATFPJLLNDXGZSB-IAOVAPTHSA-N 388.443 1.476 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)CCn2c(O)nc3ccccc32)CC[C@H]1O 2356137235 UHCXWHDDVWIXMO-DNVCBOLYSA-N 375.425 1.596 0 50 GDAA O=C1NC[C@@]2(CCCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)C2)O1 2356141633 JRNOBUPEMRFDPW-GOSISDBHSA-N 391.493 1.614 0 50 GDAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356155908 NKYJIPXEEMUAPD-YJBOKZPZSA-N 377.416 1.138 0 50 GDAA COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc(Br)c1OC 936857 QJWANHIBQYMPRA-GFCCVEGCSA-N 394.229 1.485 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)CC2)C1 2356136451 VIAQYRBKMLPIMK-RVKKMQEKSA-N 377.489 1.257 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc3nc[nH]c3c2)C1=O 2356166815 AQTLWGDGCXYQBQ-GOSISDBHSA-N 392.481 1.355 0 50 GDAA CN(C(=O)c1cn(CCO)c(=O)[nH]c1=O)C1c2ccccc2-c2ccccc21 119003592 NRZCCLJYJWTWTF-UHFFFAOYSA-N 377.400 1.371 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 51205896 KFLAQPJYAZKUOO-SFHVURJKSA-N 385.443 1.338 0 50 GDAA O=C(Cn1cnnn1)N1CC[C@@H](c2ccnc(-c3ccc4c(c3)CCO4)c2)C1 65426736 LUJFFOAISUZMKZ-QGZVFWFLSA-N 376.420 1.686 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3cnccn3)C2=O)c1 67921132 GFAJTWLQICYDAO-HXUWFJFHSA-N 388.443 1.310 0 50 GDAA CN1CCC[C@@]2(CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C2)C1=O 67840234 AEBBEMNPCANVJV-AWEZNQCLSA-N 388.902 1.682 0 50 GDAA COc1cc(-c2cnnc(NCCCN3CCCC3=O)n2)cc(OC)c1OC 12438977 XYWFCXUFNVGCOU-UHFFFAOYSA-N 387.440 1.989 0 50 GDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H]1CCCN1C(=O)C1CCCCC1)C2 67920947 XIAAPJHMEIUOLX-MRXNPFEDSA-N 388.468 1.574 0 50 GDAA COc1ccc(Cn2nc(C(=O)O)c3c2CCN(C(=O)[C@H](O)C(C)C)C3)cc1 67965967 LRNZZEXGVCSNFT-GOSISDBHSA-N 387.436 1.540 0 50 GDAA Cc1nn(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1Br 695945 SJPFDWVQKKERGA-UHFFFAOYSA-N 381.230 1.682 0 50 GDAA Cn1c(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)nnc1-c1ccccc1 282524961 UWMGLNREFLGRPW-QGZVFWFLSA-N 383.496 1.595 0 50 GDAA Cc1cc(C)nc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1 71746913 BLLHLBRCTDORFB-FGZHOGPDSA-N 395.551 1.893 0 50 GDAA O=C(NCC(=O)N1CCc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1O 363595682 SSQVMTPBKSBMSM-SFHVURJKSA-N 393.443 1.702 0 50 GDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1 72462879 NSDAETVFJVJFNI-AWEZNQCLSA-N 383.477 1.926 0 50 GDAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71750030 XEESADNFQHGBFC-MRXNPFEDSA-N 399.539 1.628 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1)N1CCC(O)CC1 72454417 APZRPRMMWSMBOG-HNNXBMFYSA-N 396.434 1.498 0 50 GDAA CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 286648067 IHIBNVXSQSUBQF-NSHDSACASA-N 397.423 1.004 0 50 GDAA O=C(Cc1ccccn1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95507143 LYZICIIGKNMAQR-UHFFFAOYSA-N 379.464 1.660 0 50 GDAA O=C(NCc1coc(-c2ccccc2)n1)N1CCN(CCn2cncn2)CC1 426602542 RVXDWRHASAAMES-UHFFFAOYSA-N 381.440 1.461 0 50 GDAA COCCNC(=O)c1cccc(OC2CCN(C(=O)c3cnccn3)CC2)c1 95502084 YLQZPRSGVFIMCL-UHFFFAOYSA-N 384.436 1.536 0 50 GDAA COc1cc(C)c(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)cc1C 96141472 JXUGBGISJFJENK-CRAIPNDOSA-N 382.482 1.090 0 50 GDAA COCCN(C)C[C@@H]1CN(c2nc(N3CCCC3)nc(C)c2C)C[C@@H]1CO 91664820 YBORYRUNGWMNSJ-QZTJIDSGSA-N 377.533 1.317 0 50 GDAA CNC(=O)CN(C)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 95519144 JHPMNSQYBPSIHU-NRFANRHFSA-N 397.519 1.662 0 50 GDAA CSc1cccc(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)c1 91987553 HEWADLIZXPUWEX-HZPDHXFCSA-N 377.510 1.109 0 50 GDAA Cc1ccc(C(=O)NC[C@@H](O)COC2CCCCC2)cc1N1CCNC1=O 92020396 NCJLTFGDNXAZMR-MRXNPFEDSA-N 375.469 1.965 0 50 GDAA CCSc1nnc(NC(=O)CN2CCC[C@@H](c3cc(O)ncn3)C2)s1 244840383 UMHIGYSDUAWLKJ-SNVBAGLBSA-N 380.499 1.964 0 50 GDAA COc1ccccc1Nc1ncccc1C(=O)NCC1(C(N)=O)CCOCC1 298710132 AWNNRELKBGVQLD-UHFFFAOYSA-N 384.436 1.846 0 50 GDAA C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)C1=O 299749530 KPVSOKDOYKIIES-GJZGRUSLSA-N 390.436 1.673 0 50 GDAA O=C(O)[C@H]1CN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CCO1 299753811 ZKXJWNLVCLCTST-CQSZACIVSA-N 375.450 1.825 0 50 GDAA CN1C[C@]2(CCN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)C2)OC1=O 72128217 BMOOXRJGQMRXJF-IBGZPJMESA-N 385.445 1.854 0 50 GDAA Cc1nn(C)c(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1Cl 299776436 BMFWONRKGXYFAH-ZIAGYGMSSA-N 381.864 1.352 0 50 GDAA COc1ccc(NC(=O)N2CCCN(Cc3ccccn3)CC2)cc1C(N)=O 299764463 GYKVOYGQQDNXAX-UHFFFAOYSA-N 383.452 1.929 0 50 GDAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(-n2nc(C)c3ccccc3c2=O)cc1 824506848 UDKXKRJHGKYUCG-OALUTQOASA-N 379.416 1.838 0 50 GDAA O=C(O)C[C@H](NC(=O)C1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 1875306365 BURHWEZFZUVJDX-KRWDZBQOSA-N 389.452 1.483 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)C1(OCc2ccccc2)CCOCC1 1875402112 BWXJHBGHXGCAJL-VAMGGRTRSA-N 399.491 1.905 0 50 GDAA Cc1nc(C(=O)N2CCc3ncncc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404028 QTBIEBKFCKAFAY-MRXNPFEDSA-N 381.484 1.222 0 50 GDAA CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccno2)ccc1OC 952988747 PBBRRZVPFWNYOL-CYBMUJFWSA-N 379.438 1.639 0 50 GDAA O=C(O)c1ccc(N2CCC[C@H](CNC(=O)c3ccc(Cl)cn3)C2)nn1 952987631 MHJQVTZHKUFEGZ-LLVKDONJSA-N 375.816 1.870 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H](CO)[C@H](O)C1 170091306 JCMDMGNFDKSDMH-IAQYHMDHSA-N 380.242 1.655 0 50 GDAA Cc1c(S(N)(=O)=O)sc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1Cl 279189966 LGPWKORSSONESL-PSASIEDQSA-N 377.919 1.666 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)Cc3noc4ccccc34)CCO2)cn1 189221594 PHHTWUMIKVUMOE-KRWDZBQOSA-N 376.438 1.948 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@H](CS(C)(=O)=O)C1 1506423643 YVUSOEFNIOAGTO-AWEZNQCLSA-N 375.512 1.757 0 50 GDAA COc1ccccc1-c1noc(CCCC(=O)N(CCO)Cc2cncn2C)n1 1704313219 HDZGAJGEDOOCIA-UHFFFAOYSA-N 399.451 1.823 0 50 GDAA OC[C@@]12CN(Cc3ncc[nH]3)C[C@H]1CN(Cc1ccccc1Cn1cccn1)C2 1772807355 NLIRUVLCLZNZIX-IFMALSPDSA-N 392.507 1.581 0 50 GDAA OC[C@]12CN(CCCn3ccnc3)C[C@@H]1CN(Cc1c(F)cccc1F)C2 1772813390 ZGGGMSJJRPBDHC-OXQOHEQNSA-N 376.451 1.978 0 50 GDAA CC(C)S(=O)(=O)c1ncc(CN(C)C[C@H](O)CO)n1CCc1ccccc1 11935102 FDPQNMPOVAORCW-SFHVURJKSA-N 395.525 1.093 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccno2)cc1 12207995 IZWZAHQHEPFNCW-GOSISDBHSA-N 386.452 1.422 0 50 GDAA CC(=O)Nc1ncc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 12379787 PLBWRMTUDXGEAE-UHFFFAOYSA-N 380.495 1.608 0 50 GDAA COC(=O)CNC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C 14957522 YIAKEMCKAQAGTQ-UHFFFAOYSA-N 391.497 1.800 0 50 GDAA CN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 19812533 HRIOWRBJTOGHDZ-UHFFFAOYSA-N 391.468 1.795 0 50 GDAA COc1ccccc1Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccnn2C)n1 1857666360 DXDACZBZUJCWDJ-OAHLLOKOSA-N 390.451 1.922 0 50 GDAA O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669375 DEIUECJWMPBKKI-ORAYPTAESA-N 393.461 1.890 0 50 GDAA CNC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(-c2cnn(C)c2)n1 1857678569 NOSPPFLQRJYGCT-UHFFFAOYSA-N 379.424 1.083 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)NCCn2cncn2)CC[C@@H]1NC(=O)c1ccccc1 1857686109 ILIIAGVPGFYTCX-FHWLQOOXSA-N 399.495 1.788 0 50 GDAA COC(=O)[C@@H]1CN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)CCO1 1857718024 KMXWQZKEXVFQET-HNNXBMFYSA-N 388.424 1.148 0 50 GDAA O=C(NCC(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO)c1ccccc1 1857718273 RALZVQDRMQUZNA-RMEPHLEKSA-N 380.444 1.012 0 50 GDAA Cc1ccc(N2CCNC2=O)cc1NC(=O)[C@H](C)n1cnc2c(N)ncnc21 834662926 IQORONXWHRMJEZ-NSHDSACASA-N 380.412 1.446 0 50 GDAA COCCN1CCC[C@@]2(CCCN2Cc2cnc(N3CCOCC3)s2)C1=O 2100554976 JNLNGUPMGMITEE-LJQANCHMSA-N 394.541 1.583 0 50 GDAA CO[C@]1(CN)C[C@H](C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C1 2325778603 GCUZVRHJLRTDLU-HQEOYTPBSA-N 375.513 1.666 0 50 GDAA COC(=O)c1cc(Cl)c(F)cc1S(=O)(=O)N[C@@H]1[C@@H](CO)[C@H]2CCC[C@H]21 2325783021 ULQRSAOJFSCUIG-NVZXWFNYSA-N 391.848 1.951 0 50 GDAA CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC2(CCSCC2)C1 2325785168 HBCIZNYWHIARLN-CZUORRHYSA-N 377.514 1.761 0 50 GDAA O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cnc2c(c1)CCNC2 2325857363 ZCDPKUMFROASGN-UHFFFAOYSA-N 387.241 1.691 0 50 GDAA CCC/C=C/C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cccc2nc(Cl)cn12 2325872638 HLJMHELAGYIZCL-IVBLRQQYSA-N 376.844 1.957 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(C(=O)C3CCOCC3)CC2)cc1 2325890012 QZDNWHJXVZNKIH-UHFFFAOYSA-N 385.464 1.546 0 50 GDAA CC(C)c1cnc(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)o1 2325893871 GHXSWBZXETUPRT-AWEZNQCLSA-N 397.387 1.778 0 50 GDAA O=S(=O)(c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1114978 FCGCYYIJRZRGDT-UHFFFAOYSA-N 380.491 1.772 0 50 GDAA O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1234536 BBHGUYVEQBHWMP-UHFFFAOYSA-N 390.417 1.658 0 50 GDAA O=C(COC(=O)CSCc1c[nH]c(=O)[nH]c1=O)Nc1ccccc1Cl 2989127 MPJYHFOVCWPQDU-UHFFFAOYSA-N 383.813 1.132 0 50 GDAA COC(=O)CCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)CN12 6181621 CVFCZJJWGKWOIN-UHFFFAOYSA-N 377.422 1.980 0 50 GDAA Cc1nn2cc(CNC(=O)[C@H]3CCC(=O)N(CCc4ccccn4)C3)nc2s1 11936176 BYFNHIGVYUWPGX-AWEZNQCLSA-N 398.492 1.592 0 50 GDAA CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 16623930 JSCDHEFYWZNSON-UHFFFAOYSA-N 394.522 1.916 0 50 GDAA COc1cc2ncn(CC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC 20762940 LPAUFEVDBJJQDW-UHFFFAOYSA-N 379.416 1.999 0 50 GDAA biogenic CS(=O)(=O)N1CCCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 32976880 NQYPCZJFAJLPFJ-UHFFFAOYSA-N 379.507 1.841 0 50 GDAA O=C(c1ccnnc1)N1CCC2(CC1)NC(COc1cccc(F)c1)=NC2=O 55575682 AIQSZSROMUULTD-UHFFFAOYSA-N 383.383 1.198 0 50 GDAA Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(NC2CCCCC2)n1 67613949 CTLHKSOPUFHZOZ-UHFFFAOYSA-N 382.534 1.458 0 50 GDAA Cc1nc(CNC(=O)c2cn3cc(-c4cc(C)oc4C)n(C)c(=O)c3n2)n[nH]1 72428453 UQYKFVYGGUIIOV-UHFFFAOYSA-N 381.396 1.266 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc3occc3c1)CCN2c1ncccn1 77340614 ULFPVYXOPGXQPA-DLBZAZTESA-N 384.461 1.711 0 50 GDAA CNC(=O)c1noc(CN2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77485639 IIIIKCAMXQGPCN-LJQANCHMSA-N 375.473 1.576 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 91451924 WGCKIWRMJXNZEB-HXUWFJFHSA-N 376.501 1.193 0 50 GDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]c3ccc(OC)cc3c1=O)CC2 91846954 XWPHPYAYBUVZRP-MSOLQXFVSA-N 386.448 1.929 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95366880 DAJYDSCXOZNRCJ-IOMROCGXSA-N 394.475 1.491 0 50 GDAA C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1-n1cccn1 95378880 KKCHECBVSXFCFK-QGZVFWFLSA-N 391.479 1.662 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4cn(C)nc4C)C3)CCC2=O)cn1 95530944 LJUYBQPEIXRUTL-OAQYLSRUSA-N 396.495 1.872 0 50 GDAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2c[nH]c3ncnn3c2=O)c1C 101732731 SPCXZUQLMWQCRU-GFCCVEGCSA-N 377.408 1.711 0 50 GDAA O=C(NCC(=O)N1CCCC[C@H]1CN1CCOCC1)c1cccc(Cl)c1 110954676 JVJDKVVITANMGM-KRWDZBQOSA-N 379.888 1.783 0 50 GDAA O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@@H](O)CN1 152328958 NREAPOQZDVAQFX-CABCVRRESA-N 383.286 1.336 0 50 GDAA CCOC(=O)C1=CN(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)N=C1C 169771919 FRFVEIDAWYKEJO-UHFFFAOYSA-N 379.438 1.710 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc2[nH]1 188872665 UJAXUWZPLPETCT-YPMHNXCESA-N 379.463 1.314 0 50 GDAA Cn1cccc1CNC(=O)CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O 206256098 DGJQQIVHJPJIDO-QGZVFWFLSA-N 386.427 1.724 0 50 GDAA O=C(NCC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1)c1ccccc1 210083656 QEJKMMALCTYMDM-SJORKVTESA-N 382.416 1.522 0 50 GDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(Cl)c3c(c2)OCO3)cn1 225467180 OXJFKCLQPWKGKV-ZJWNCGCPSA-N 381.841 1.748 0 50 GDAA CCOc1ncc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl 225716098 GYMAECLGHYUDDS-CYBMUJFWSA-N 387.889 1.774 0 50 GDAA O=C(OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(=O)[nH]1 225842259 YUUPSYULXNUHTM-UHFFFAOYSA-N 375.812 1.534 0 50 GDAA COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@H]32)cc1OC 238899652 GYUOAKRUGDTQAJ-DCAQKATOSA-N 378.431 1.332 0 50 GDAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(-n2cncn2)cc1 241301069 LQCCLZFGGGHTQN-BMGDILEWSA-N 393.447 1.786 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 253378406 CNMBGMASFLJOTR-KLPPZKSPSA-N 382.823 1.885 0 50 GDAA Cn1cc([C@@H]2CN(C(=O)CNC(=O)Nc3cccc(Cl)c3)C[C@H]2CO)cn1 295092587 GDCOWSPMJURFNP-BBRMVZONSA-N 391.859 1.430 0 50 GDAA Cn1cc(S(=O)(=O)N2CCc3cccc(C(=O)O)c32)c(C(F)(F)F)n1 295206014 OJKKNSATXVISKJ-UHFFFAOYSA-N 375.328 1.889 0 50 GDAA C[C@@H]1Cc2cc(C(=O)NCc3nc(C(=O)O)cs3)ccc2N1S(C)(=O)=O 299750214 MWMVJIWXUCLBIZ-SECBINFHSA-N 395.462 1.482 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H]1C[C@]12CCOc1ccccc12 332803047 ISMCDFPBJQBFML-ZTQAJYAQSA-N 390.505 1.800 0 50 GDAA Cn1nccc1N1CCC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 333760522 VPPQUFWRINUARD-INIZCTEOSA-N 377.489 1.228 0 50 GDAA COc1cc(OC)cc(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)c1 375216997 DJSMBEQOIIKNLX-ZWKOTPCHSA-N 375.469 1.513 0 50 GDAA Cc1ccc(Cc2ccccc2C(=O)N2CCN3CCNC(=O)[C@@H]3C2)cc1F 426484375 BPFPVMBYDHQFSV-FQEVSTJZSA-N 381.451 1.981 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCn3cncn3)csc2C1 426641492 WZDRZIYDWOMAGU-UHFFFAOYSA-N 386.481 1.933 0 50 GDAA CCCn1cc(S(=O)(=O)NC23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)cn1 823033035 IMCPANZSYHCMMA-CBHXASLJSA-N 391.501 1.306 0 50 GDAA C=CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)(c2ccccc2)CC1 847725019 JBMJPSPGBBJWOO-OAHLLOKOSA-N 382.468 1.508 0 50 GDAA CCc1nccn1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 952974252 NQGAETQVSIKCFM-UHFFFAOYSA-N 384.436 1.435 0 50 GDAA O=C1CC[C@@H](CN(Cc2cccnc2)S(=O)(=O)c2ccc(F)c(F)c2F)N1 952990219 WSDABRFWVODXKR-LBPRGKRZSA-N 399.394 1.968 0 50 GDAA COC1(c2nccn2C)CCN(S(=O)(=O)C[C@@H]2CCC3(CCC3)O2)CC1 1475638296 PVXQTOLYVGHCRY-HNNXBMFYSA-N 383.514 1.789 0 50 GDAA CCNC(=O)[C@@]12CCCN(C(=O)c3cc(=O)c4ccccc4o3)[C@H]1CN(C)CC2 1775982258 IOAXMGNHSAIEKH-SIKLNZKXSA-N 397.475 1.856 0 50 GDAA Cc1ccncc1C(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CC(C)(C)CO1 1775992233 QGCPJBRTXMTDFW-CVEARBPZSA-N 375.469 1.552 0 50 GDAA CO[C@H](C(=O)N1CCC(C2(NC(=O)c3cnsn3)CC2)CC1)[C@@H]1CCOC1 1775997447 IWHWRQNHKPKLCW-DOMZBBRYSA-N 394.497 1.091 0 50 GDAA CCOCCN1C(=O)N[C@H]2c3cc(C)ccc3O[C@@]13CCCS(=O)(=O)[C@H]23 1776005881 OIDSWJJDQFFDES-LZLYRXPVSA-N 380.466 1.764 0 50 GDAA Cc1nn(C)c2c1[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CCC2 1857679500 WYIVZAPYRQTMTB-OAHLLOKOSA-N 394.472 1.827 0 50 GDAA COCC(=O)N1CCC[C@@]2(CN(Cc3ccc4c(c3)OCO4)CC[C@H]2O)C1 1857684826 GGJSVTUNSFAPGL-UYAOXDASSA-N 376.453 1.237 0 50 GDAA Cc1nnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 1857708906 TVXWSIZNUNXOTB-KRWDZBQOSA-N 390.415 1.792 0 50 GDAA O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857732167 FUDZUPGLGMVOSB-OALUTQOASA-N 394.475 1.931 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2cnn(C)c2C)C[C@H]1NC(=O)c1ncoc1C 1875247674 OAMAZQNPRLMKEL-NUEKZKHPSA-N 389.456 1.255 0 50 GDAA COc1cccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)c1OCCn1ccnc1 1875251113 MVJVVUBZTPIBRI-MJGOQNOKSA-N 386.496 1.733 0 50 GDAA NC(=O)c1csc(N2CCn3c(Cc4c(F)cccc4F)nnc3C2)n1 1875267496 MFQDIWLGFSRILO-UHFFFAOYSA-N 376.392 1.723 0 50 GDAA CCOC(=O)c1c2c(nn1C)CCN(C(=O)Cc1cccc3c1CCNC3)C2 1875301430 KEQPYPBBRLZHJH-UHFFFAOYSA-N 382.464 1.370 0 50 GDAA COC(=O)[C@]1(F)CN(C(=O)C2CCN(c3cc(O)ncn3)CC2)C[C@H]1C1CC1 1875316034 RKEMVHUOEOUYHK-LIRRHRJNSA-N 392.431 1.148 0 50 GDAA CNC(=O)[C@]1(C(F)(F)F)CCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1875362807 UFFAENVTDFBEQR-YDHLFZDLSA-N 376.400 1.873 0 50 GDAA O=C(Cc1cccnc1)Nc1ccc(C(=O)Nc2ccc3c(c2)COB3O)cc1 1875369068 XSJHPJXACRZCDN-UHFFFAOYSA-N 387.204 1.733 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)Cc2nn(C)c3ccccc23)C1 1875389388 NAZYFNWZIJDROB-UHFFFAOYSA-N 379.420 1.532 0 50 GDAA CN(CCc1ncc(Br)cn1)C(=O)[C@@H]1CNC[C@H]1[C@@H]1CCOC1 1875405684 MCYBRPGTMZNTGY-KWCYVHTRSA-N 383.290 1.112 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc12 2325730478 QOJNJALNMDQQTA-CQSZACIVSA-N 386.408 1.909 0 50 GDAA CN1CCN([C@@H]2CCCCN(C(=O)c3cccc(Cc4nn[nH]n4)c3)C2)CC1 2325807962 ODFOVONGIOYEPN-GOSISDBHSA-N 383.500 1.033 0 50 GDAA O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1Br 2891837 RFWDDHDJYGWQNE-GXDHUFHOSA-N 379.210 1.922 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)CC1 11874065 XVGUSHUEPGQNNO-KRWDZBQOSA-N 384.484 1.367 0 50 GDAA O=C(Cc1cccs1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 12421795 UEWUZMRAXKTFNI-UHFFFAOYSA-N 392.502 1.901 0 50 GDAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 14972384 DCSZRVIYDYHHNZ-IBGZPJMESA-N 381.480 1.258 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 15066562 URPBUWXCJJNXLS-IBGZPJMESA-N 391.487 1.791 0 50 GDAA Cc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N1CCOCC1 16514088 WFBYOZSSGVSKEC-UHFFFAOYSA-N 376.434 1.974 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 17078925 LGUSMMIEEGUOOG-UHFFFAOYSA-N 386.499 1.606 0 50 GDAA CN(C)C[C@@H](O)COc1ccc(CN2CCCN(c3ncccn3)CC2)cc1 20515386 SAIXMIOAWIRSGX-LJQANCHMSA-N 385.512 1.490 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)c2cc(-n3cccn3)ccc2OC)CC1 36354297 LFJHYDUBSYIYAU-UHFFFAOYSA-N 393.465 1.845 0 50 GDAA CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCCN2CC(C)C)CCCCC1 55225723 RHFNCUWFYQBNFA-INIZCTEOSA-N 381.517 1.605 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67884683 AXQWUWRYGQKECT-ZDUSSCGKSA-N 378.436 1.792 0 50 GDAA Cc1nc2c(c(N(C)C)n1)CCN(S(=O)(=O)c1ccc(C(=O)O)cc1)C2 71422179 CDQKGJSTEKXPJV-UHFFFAOYSA-N 376.438 1.296 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nc(C)cc(C)n3)CC2)C1 71775730 QLKSGVBYDDTCOM-KRWDZBQOSA-N 375.517 1.537 0 50 GDAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72122518 KMBSNBXHENALDD-OAHLLOKOSA-N 388.467 1.530 0 50 GDAA CCc1n[nH]c(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 72412253 FARNKKLMQJFYEN-CVEARBPZSA-N 380.514 1.170 0 50 GDAA O=C(CCn1cncn1)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72421621 CYCGDPXJRDWZLF-FQEVSTJZSA-N 382.468 1.495 0 50 GDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cc4c(cc3OC)CCC4)CC[C@H]21 77284588 ZKMRGMXDXPICIW-PKOBYXMFSA-N 385.508 1.856 0 50 GDAA NC(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77323626 YRBMJYDDEZRYRV-UHFFFAOYSA-N 378.860 1.349 0 50 GDAA CCCN1CCCn2nc(CNS(=O)(=O)c3cccc(OC)c3)cc2C1 82098201 MBLLENHHQQYEKX-UHFFFAOYSA-N 378.498 1.986 0 50 GDAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)c1C 91416954 BHTWSMSRAIBDKH-LBPRGKRZSA-N 377.412 1.679 0 50 GDAA CN1CCCN(C[C@@H]2CN(Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 91678427 WOOBRFYRZIBAIG-QZTJIDSGSA-N 383.483 1.966 0 50 GDAA CC[C@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1nc(C)no1 95376719 NDMKVVMGETZVQV-AWEZNQCLSA-N 384.440 1.982 0 50 GDAA O=C(NCc1nc(-c2ccc(F)cc2)no1)[C@H]1CC(=O)N(Cc2ccccn2)C1 95502689 QAOPWHGEFRGJCF-AWEZNQCLSA-N 395.394 1.936 0 50 GDAA CN(CCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1)S(C)(=O)=O 95528707 DTWZMJSVYLXGSO-INIZCTEOSA-N 382.530 1.671 0 50 GDAA CN(C[C@H]1CCCN1C)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96149511 OHRBIGWLVVRVAZ-CQSZACIVSA-N 377.489 1.206 0 50 GDAA O=C(O)[C@@]12CN(CCO)C[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1F)C2 96165774 XFCMQTNWELVJJF-CZUORRHYSA-N 376.350 1.655 0 50 GDAA COC[C@H](O)CN1CCC(NC(=O)N(C)Cc2nc3c(s2)CCCC3)CC1 120245843 VOWWPASPHJUMQI-OAHLLOKOSA-N 396.557 1.635 0 50 GDAA O=C(CNC1(c2noc(C3CC3)n2)CCCC1)N1CCN(C(=O)C2CC2)CC1 174245972 IUQUYTUIVYKCTN-UHFFFAOYSA-N 387.484 1.387 0 50 GDAA CNC[C@@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 178980432 MOTLGVIFNHKJHX-NSHDSACASA-N 379.258 1.227 0 50 GDAA CC[C@@H](NCc1nnnn1CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 191032052 WGUUTABMYUCJNM-LLVKDONJSA-N 378.380 1.124 0 50 GDAA O=C(c1ccc2c(c1)ncn2CCO)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 215451686 IZJODBATHRNDPP-UHFFFAOYSA-N 377.408 1.340 0 50 GDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cc(OC)c(OC)cc1Br 237158164 DHMBNCHFKXWQDS-JTQLQIEISA-N 393.303 1.839 0 50 GDAA CC(C)[C@@H](C(=O)Nc1cc(Br)ccn1)N1CCCS1(=O)=O 241277595 LHKOOPUPHQUEDG-LBPRGKRZSA-N 376.276 1.843 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 246262772 OSQAJIRNRBTROU-HUHSQHJXSA-N 392.521 1.902 0 50 GDAA O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC[C@H]1CC[C@H](C(=O)O)CC1 247438515 WPFDUDCUGXKLNI-HDJSIYSDSA-N 399.447 1.729 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@@]2(O)CCN(Cc3cc(F)cc(F)c3)C[C@H]2C1 247984221 YKZUYAMOSAJEPE-YOEHRIQHSA-N 389.468 1.030 0 50 GDAA CN(CCO)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc1 248029210 STHVRVRMZWYABI-QUCCMNQESA-N 385.508 1.978 0 50 GDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1cccc(N2CCOCC2)c1 248053245 XUJNSULEDMPJJZ-CTNGQTDRSA-N 386.540 1.508 0 50 GDAA COc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1OCc1cscn1 262964744 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383.408 1.537 0 50 GDAA CN(Cc1ccccc1)C(=O)Cc1noc(CS(=O)(=O)C23CC(C2)C3)n1 2325788973 XCEBBVNGJXDXGQ-UHFFFAOYSA-N 375.450 1.738 0 50 GDAA NC(=O)C1CC(NC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 2325821198 SHHUGJSSJCWWER-UHFFFAOYSA-N 392.419 1.439 0 50 GDAA Cc1c(C(=O)N2C[C@@H](CN)Cc3cc(F)ccc32)cnn1-c1ccc(O)nn1 2325859162 PYNKSEPGOYMHPH-GFCCVEGCSA-N 382.399 1.593 0 50 GDAA C[C@@]1(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCCCO1 2325886869 MGSZSNVKOAGZCO-KKSFZXQISA-N 399.447 1.023 0 50 GDAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 823227 XZWMIPRWIDYYBJ-UHFFFAOYSA-N 376.434 1.968 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2cnc(O)nc2O)CC1 2356155555 IDMVYFIOGOIIMA-UHFFFAOYSA-N 385.420 1.530 0 50 GDAA C[C@@]1(CNS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)CCC(=O)N1 414351859 SJGJPESMFQNYGP-ZDUSSCGKSA-N 391.243 1.094 0 50 GDAA CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCCN2C)c1nnc2n1CCNCC2 67967141 DLXMLTJWZHFHMM-MRXNPFEDSA-N 398.511 1.770 0 50 GDAA CCn1c(C2CCN(C(=O)CCSc3nnc(C)s3)CC2)n[nH]c1=O 67673986 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1.972 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)N[C@H]2COc3ccccc3C2)CC1 194622207 PGZWKPOXMRSTTI-GOSISDBHSA-N 381.480 1.636 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1 1191592236 FXMBFWFOLHFPNE-UHFFFAOYSA-N 379.482 1.069 0 50 GDAA COc1nc2ccccc2nc1CCC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616073490 PIEXDXAKZNBIAU-JXFKEZNVSA-N 396.491 1.893 0 50 GDAA CN1CCCN(CC(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)CC1 1616125943 ATKDUKLJMHAYLU-RXVVDRJESA-N 382.508 1.234 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 11663182 IEYQGJBGVDWGSV-VMPITWQZSA-N 391.479 1.683 0 50 GDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12002038 IEZASPWKNHQYTR-UHFFFAOYSA-N 381.454 1.276 0 50 GDAA COC(=O)c1cc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc(C(=O)OC)c1 18254399 ACEHGLDUDSPAPV-UHFFFAOYSA-N 391.405 1.382 0 50 GDAA Cn1ccnc1CN1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1C(=O)c1nnc2n1CCCCC2 1857668653 WFKHFJAQHUKFKM-WNKDZCFJSA-N 395.511 1.473 0 50 GDAA Cc1nn(CC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c(=O)c2ccccc12 1857687190 QKPTVSBSKZKPKB-TXPKVOOTSA-N 382.464 1.073 0 50 GDAA Cc1cc(F)ccc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 1857699562 TVEWTTFYXPYXIW-NTDBWNAOSA-N 394.512 1.895 0 50 GDAA COc1ccccc1CC(=O)N1CCO[C@]2(CCN(CCc3nccn3C)C2)C1 1857704452 SDRYQSVHNXHOFM-QFIPXVFZSA-N 398.507 1.517 0 50 GDAA O=C(CN1CCCCC1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857717586 PGQWBMGSXHPRTL-FPOVZHCZSA-N 388.512 1.168 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C(=O)C3(C)CC3)C[C@]23CC[C@H]1O3 1857721050 XGACYRFIDKKXGS-NVAPZFDKSA-N 376.482 1.382 0 50 GDAA CC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnnn3-c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857725305 PKELFBBNKCTGIX-IXIUHKBRSA-N 381.436 1.023 0 50 GDAA CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1Cl 365297615 VPZPSTSBXIJEEZ-LLVKDONJSA-N 396.856 1.136 0 50 GDAA Cn1c(=O)c(C(=O)NS(=O)(=O)c2ccccc2Cl)cn1-c1ccccc1 1067665 VGRORGFRRHMMEN-UHFFFAOYSA-N 391.836 1.948 0 50 GDAA COCCn1c(-c2cccc(OC)c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 2411799 GCALIQRHTDVIMX-UHFFFAOYSA-N 383.408 1.008 0 50 GDAA CCOC(=O)Cc1nnc(NC(=O)[C@H](CC)Sc2nc(C)cc(=O)[nH]2)s1 8676562 APXRBSSNMRSDAP-VIFPVBQESA-N 397.482 1.545 0 50 GDAA CCCNC(=O)N[C@@H]1CC[C@H](C(=O)NCCc2cc[nH]n2)C[C@H]1OCCC 2100537066 HITQOQRZAOVKTN-USXIJHARSA-N 379.505 1.742 0 50 GDAA CCC1(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325897999 OZTRGEOSMBTHBB-AWEZNQCLSA-N 383.404 1.008 0 50 GDAA CCN1CCN(Cc2cc(C(=O)N(C)Cc3ccc4nonc4c3)no2)CC1 67935000 DDFZSMHGZSDNNT-UHFFFAOYSA-N 384.440 1.621 0 50 GDAA CC(C)N1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 22919288 ZYBMSZDQRQZURU-FQEVSTJZSA-N 381.467 1.844 0 50 GDAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC(N2CCC[C@@H](O)C2)CC1 11874023 APBPTUBAHOLUJV-HXUWFJFHSA-N 397.523 1.972 0 50 GDAA C[C@@]1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CC(=O)N=C2C=CC=CN21 170575204 ZLBFJZROHLGPLB-IERDGZPVSA-N 392.415 1.753 0 50 GDAA CCOC(=O)N1CCn2nc(CN3CCN(c4nccs4)CC3)cc2C1 72148204 FLDMQBPMHOSJLL-UHFFFAOYSA-N 376.486 1.634 0 50 GDAA C[C@]1(c2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2)NC(=O)NC1=O 363131177 HLORCXWGSXNMGR-DNVCBOLYSA-N 383.408 1.369 0 50 GDAA C[C@]1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCN(C(=O)c2ccccc2)C1 363265901 JXSFKKKWCXMEOM-DXIQSLLYSA-N 385.508 1.908 0 50 GDAA CC(=O)NCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71589774 BIHBBTVGEUZPTG-IBGZPJMESA-N 387.528 1.010 0 50 GDAA Cc1cccc(N(CC(=O)NCCCn2ccccc2=O)S(C)(=O)=O)c1 219094148 AYXBDTLVPNINQF-UHFFFAOYSA-N 377.466 1.129 0 50 GDAA CCNc1ncc(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cn1 72143598 USAIWDBPPQNDRA-UHFFFAOYSA-N 377.408 1.252 0 50 GDAA Cn1cc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC23CCOCC3)cn1 333110534 SAQGYHHJJRDCRN-NVXWUHKLSA-N 388.512 1.790 0 50 GDAA CN1CCC[C@@H](CNC(=O)N2CCC[C@@H](n3ccnn3)C2)[C@@H]1c1ccnn1C 333772288 RPBUUZXRPJWASA-LZLYRXPVSA-N 386.504 1.441 0 50 GDAA O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCN(C2CCOCC2)CC1 285625147 YRSKYCMOGXDTDZ-KRWDZBQOSA-N 378.494 1.271 0 50 GDAA O=C(NCc1nc(CN2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cs1)c1ccccc1 289442373 OLWPKLJIVZTJQC-AWEZNQCLSA-N 398.492 1.864 0 50 GDAA Cc1cccc2c1OC[C@@H](NS(=O)(=O)c1cnn(C3CCOCC3)c1)C2 289544602 NWDKHBLNEGVIKV-HNNXBMFYSA-N 377.466 1.825 0 50 GDAA Cn1ncc(N2CCC(CNC(=O)[C@@H]3CCc4ccccc4O3)CC2)cc1=O 82039663 AYVVOIHEQHONCC-IBGZPJMESA-N 382.464 1.507 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2ccc(C)c(-n3cnnn3)c2)CC1 40285489 SMAOWIQZZVCZKX-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2)c(C(F)(F)F)n1 293148777 QWBLPKWKCVSUPH-JTQLQIEISA-N 392.407 1.120 0 50 GDAA CNc1ccnc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 95381991 IXQUTIGRDFLQNA-HLIPFELVSA-N 375.517 1.862 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)Cc2cc(C)no2)CC1 96130589 NKCWFIRLRLGHMT-UHFFFAOYSA-N 383.456 1.788 0 50 GDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N[C@@H]3CCSC3)c2)CC1 95520423 DAIVDNNVTUOWAZ-CQSZACIVSA-N 384.523 1.725 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)N3CCCN(c4ncccn4)CC3)ccc21 96137531 FGCMKWFTCQGGCN-UHFFFAOYSA-N 381.440 1.411 0 50 GDAA O=C(NCCn1cccn1)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 96179989 MXOGIFHTOYPFHC-AWEZNQCLSA-N 383.408 1.480 0 50 GDAA O=C(N[C@H]1CCNC1)c1ccc(S(=O)(=O)NCCCc2ccco2)cc1 91595546 GHALPUKHHQJKOM-HNNXBMFYSA-N 377.466 1.282 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnc(-c3ccccc3)o2)c1 91769158 IKXIYZSDINALDW-UHFFFAOYSA-N 376.369 1.453 0 50 GDAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@H]2C3)c1 95375746 HFLBUZFJUCCSAQ-ZBFHGGJFSA-N 379.482 1.116 0 50 GDAA COc1ccc(NC(=O)NCCSc2ncn[nH]2)cc1NS(C)(=O)=O 96162455 RPJSNEWOVPQVBD-UHFFFAOYSA-N 386.459 1.099 0 50 GDAA Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cnc21 182487263 ZCDLEKGBMOIVSC-ZBFHGGJFSA-N 387.827 1.430 0 50 GDAA COc1cc(NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)O)O2)c(C(=O)N(C)C)cc1OC 864103549 MCYBSEYJHYNBRP-LNHVQRHZSA-N 380.397 1.222 0 50 GDAA C[C@H]1C(=O)N(CN(C)[C@H]2CCS(=O)(=O)C2)C(=O)N1c1ccc(Cl)cc1 252444200 QKPZHMKPOYAICH-FZMZJTMJSA-N 385.873 1.574 0 50 GDAA Nc1nonc1-c1nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c(=S)n1-c1ccccc1 254754331 GTLRZDZARJKOFA-ISOBSLSZSA-N 386.393 1.291 0 50 GDAA O=C(NCCN1CCCC1)c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12 263619567 ZHYCLCZUEAFDCP-UHFFFAOYSA-N 386.843 1.976 0 50 GDAA CN(C(=O)NC1CCN(Cc2cccc(O)c2)CC1)[C@@H]1CCS(=O)(=O)C1 534577187 CEGQCKLGKCAVEX-MRXNPFEDSA-N 381.498 1.185 0 50 GDAA Cn1cncc1C(=O)NCC1CCN(C(=O)CCc2csc(N)n2)CC1 827910486 OFEFHBKSAVEIFR-UHFFFAOYSA-N 376.486 1.060 0 50 GDAA NC(=O)[C@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCOC1 1875271639 SOBWPXMLYCZCKG-UKRRQHHQSA-N 396.369 1.570 0 50 GDAA Cn1cncc1-c1cn(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)nn1 1875326138 BSZFRVZWJIGWFX-UHFFFAOYSA-N 394.435 1.664 0 50 GDAA CNc1ncccc1C(=O)N1CCC(CNC(=O)CCc2cnn(C)c2)CC1 952985930 CXZSDPJXXIDTRF-UHFFFAOYSA-N 384.484 1.458 0 50 GDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc(C(N)=O)cc1 952977467 NFBWWHVZWKNGLD-CYBMUJFWSA-N 379.482 1.197 0 50 GDAA O=C(N1C[C@@H](O)CC(F)(F)C1)[C@@]1(O)CCc2cc(Br)ccc2C1 888100504 VUVZKUJKYCPIIA-DZGCQCFKSA-N 390.224 1.897 0 50 GDAA Cc1ccc(F)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)[C@H]2C1 1775991873 NJMHTJOTGFNZBO-WKCGWZECSA-N 387.455 1.578 0 50 GDAA O=C(N[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1O)c1ccccn1 1565516200 PVLMZJIIASFRJA-HKUYNNGSSA-N 377.448 1.837 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)cc1 1565509366 BMTZJJPOTPXRJJ-SJORKVTESA-N 383.514 1.253 0 50 GDAA O=S(=O)(c1ccc(CNCc2cnn3ccccc23)cc1)N1CCOCC1 171761958 CNGNWWPHFJDNBV-UHFFFAOYSA-N 386.477 1.645 0 50 GDAA CN1CCN(c2ccc(CNC(=O)NC3CCN(CC4CC4)CC3)cn2)CC1 193655379 ZKDDWWXPYCUUMD-UHFFFAOYSA-N 386.544 1.507 0 50 GDAA C[C@@H](CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F)N1CCOCC1 1506411342 QGBDGXVFVFJLQJ-JTQLQIEISA-N 394.852 1.519 0 50 GDAA Cn1c(C(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)cc(=O)n(C)c1=O 11843952 YKHWZNSMPHERNJ-LLVKDONJSA-N 391.374 1.097 0 50 GDAA COCc1ccc(C(=O)NCCc2nnc(SC[C@@H]3CCCO3)n2C)o1 12219122 WLSPEKPSVKQZOD-ZDUSSCGKSA-N 380.470 1.798 0 50 GDAA COCCn1c(CN2CCCC[C@@H]2CO)cnc1S(=O)(=O)CCC(C)C 12440626 QIUPQPBIQXHOOW-MRXNPFEDSA-N 387.546 1.696 0 50 GDAA Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14748227 JXTIUXRUIPPJSP-RTBURBONSA-N 377.444 1.389 0 50 GDAA O=C(CCc1ccc(O)nn1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857671955 ZMJSBRXVMGDQIB-FQEVSTJZSA-N 382.420 1.391 0 50 GDAA O=C(Cc1ccccc1)N1CCC[C@@]2(CN(CCn3ccnc3)CC[C@H]2O)C1 1857699573 UDEJQRSGRPZYKM-IFMALSPDSA-N 382.508 1.801 0 50 GDAA O=C(NCc1cc2ccccc2o1)[C@]12COC[C@H]1CN(S(=O)(=O)C1CC1)C2 1857702287 HJRQNVCXSMNDII-AUUYWEPGSA-N 390.461 1.490 0 50 GDAA Cc1ccn2c(C(=O)N3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)nnc2n1 1857709702 MNOXSAGTDUVUKK-HXUWFJFHSA-N 392.419 1.322 0 50 GDAA O=C(Cc1cccnc1)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 206708380 YPZUXOMRZGADIG-SFTDATJTSA-N 398.482 1.547 0 50 GDAA COc1ccc([C@@H](CC(=O)O)NC(=O)CNC(=O)c2ccccc2)cc1OC 261859274 AGJFDPWRTBYINL-OAHLLOKOSA-N 386.404 1.766 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CNC(=O)c3ccccc3)C1)CC2 1704338375 SSODQLRRIOAUMJ-QFIPXVFZSA-N 393.491 1.779 0 50 GDAA COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@H]1C[C@@H](OC(F)F)C1)C(=O)N2 2325774286 BTVLCFBXLVKSGI-MBNYWOFBSA-N 382.363 1.861 0 50 GDAA COC(=O)[C@@H](Cc1ccc(Cl)nc1)NC(=O)c1ccc(CNC(C)=O)s1 2325786873 RCUHHUMNLXXSAO-CYBMUJFWSA-N 395.868 1.947 0 50 GDAA CCO[C@@H](CC)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cccn2nccc12 2325793826 IZHQMIXCSPMVFP-PBHICJAKSA-N 376.457 1.041 0 50 GDAA CN(C)[C@]1(C(N)=O)CCN(C(=O)CCCSc2nc3ccccc3[nH]2)C1 2325803752 ZENZWSZLBLCICR-GOSISDBHSA-N 375.498 1.453 0 50 GDAA NC(=O)C1(NC(=O)[C@@]2(O)CC(=O)Nc3ccc(Cl)cc32)Cc2ccccc2C1 2325850679 FHXSAPDBAGFVSL-HXUWFJFHSA-N 399.834 1.009 0 50 GDAA COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cncc(N)n1 2325853995 KFUVFQPCLBYUIB-ZDUSSCGKSA-N 379.214 1.808 0 50 GDAA Cc1cc(O)cc(C(=O)N[C@@H]2CCCCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)c1 2325863943 ARPAQSPOGYIRGK-DOTOQJQBSA-N 387.480 1.680 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1 2356141632 JRIWSMICZVGIBV-HXUWFJFHSA-N 377.452 1.743 0 50 GDAA C[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@H](O)[C@@H]1O 2539040 ZMYJTGDNFZJYFN-QRMYAHLGSA-N 392.633 1.790 0 50 GDAA O=C1COc2ccc(S(=O)(=O)N3CC[C@@H](c4ccccc4)[C@H](O)C3)cc2N1 2356145829 KCEQGPQQVPELGF-DOTOQJQBSA-N 388.445 1.557 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356166753 MFLVBJLEERHMRF-HXUWFJFHSA-N 383.452 1.545 0 50 GDAA COc1ccc(Cc2nnc(SCC(=O)NC3=NCCS3)n2C)cc1 4736036 NUIWKTBKKIEMJW-UHFFFAOYSA-N 377.495 1.726 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCC3)CC2)cc1 7339575 YEXSKHYRDYNGAC-UHFFFAOYSA-N 395.525 1.404 0 50 GDAA CC[C@@H](O)CNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 55281148 CCRYCDVXKMFLTB-OAQYLSRUSA-N 388.556 1.954 0 50 GDAA CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 115588192 WJTDVPOEFDGIOZ-HNNXBMFYSA-N 376.482 1.414 0 50 GDAA O=C(c1ccc(CO)o1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 67855149 YBCNYWGXZSIMFH-INIZCTEOSA-N 389.496 1.711 0 50 GDAA O=C(O)c1cccc(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 1506416697 KQNQVTWJYHCHTG-BRFBUHTJSA-N 378.476 1.437 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)c3ccccc3C)C2)nn(CCN(C)C)c1=O 67756603 KUKGNHIDIDVMOS-QGZVFWFLSA-N 385.512 1.955 0 50 GDAA CC(=O)N1CCn2nc(C(=O)NCCC(=O)Nc3cc(C)ccc3C)cc2C1 65435493 WBTMMPPGJQUWOT-UHFFFAOYSA-N 383.452 1.621 0 50 GDAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2C)CN1C 65372294 NEDSSMPRSIRNBC-BBRMVZONSA-N 385.420 1.816 0 50 GDAA O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)c1c[nH]c(=O)cn1)C2 65396529 SZAWYUJQPMFAPM-UHFFFAOYSA-N 378.392 1.265 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(F)(F)F)CO2 71614959 MSWWKMCPUNZZAT-GFCCVEGCSA-N 389.374 1.329 0 50 GDAA CN1CC[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1=O 363249648 ANYUCZPZESOUJC-CXAGYDPISA-N 380.439 1.801 0 50 GDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn(-c2ccccc2)nn1 215058755 JGDQCNGUVFKQBS-UHFFFAOYSA-N 386.415 1.921 0 50 GDAA Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc4cnccc34)C2=O)n1 173702447 LJBDUGXPZXIZNB-HNNXBMFYSA-N 385.449 1.442 0 50 GDAA c1cncc(-c2noc(CCn3ccnc3-c3cc4n(n3)CCCNC4)n2)c1 72421510 PTJTYRRROLNGKF-UHFFFAOYSA-N 376.424 1.928 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cncn3C3CC3)CC2)C1 71404086 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Cn1c(Cn2cccn2)nnc1C1CCN(CC(=O)N2CCCCCC2)CC1 96165029 QBYFBIJTDYERJG-UHFFFAOYSA-N 385.516 1.642 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2=O)c1 91894531 PQVJPJMVRSEAPX-OAHLLOKOSA-N 385.464 1.662 0 50 GDAA O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H]3N1c1ccc(Br)cc1 244647141 GVQYMUIOTOXTTR-ZVXHGCAOSA-N 391.221 1.342 0 50 GDAA COCCn1ncc(-c2nc(-c3nc[nH]n3)nn2[C@H](C)C2CCOCC2)c1C 1875330804 CLITZEXGCQBYBS-GFCCVEGCSA-N 386.460 1.869 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccc4c(c3)COCC4)C2)n1 1875396830 FCTHLLOJOAVTBG-LJQANCHMSA-N 395.507 1.894 0 50 GDAA Cc1c(C(=O)N[C@H]2CCN(C(=O)c3cccc(N)c3N)C23CCCC3)nnn1C 1875330197 RUZNZISYTLFFQG-HNNXBMFYSA-N 397.483 1.245 0 50 GDAA CCC[C@H](CC)S(=O)(=O)N1CCc2nnc(N3CCN(C)CC3)cc2C1 952892289 GLLYEHGHKFXWQC-INIZCTEOSA-N 381.546 1.495 0 50 GDAA COc1cc(CN[C@H](Cc2cnc[nH]2)C(=O)O)cc(Br)c1OC 1875270574 JHUIYOXCQKALCP-GFCCVEGCSA-N 384.230 1.975 0 50 GDAA O=S1(=O)CC[C@H](S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)C1 952869108 ILUJFDKPARAHSM-SFHVURJKSA-N 394.518 1.643 0 50 GDAA O=C(CN1CCOC1=O)NC[C@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 952988274 NDDKFTYPCMHAIN-GOSISDBHSA-N 397.479 1.653 0 50 GDAA CC(=O)NCCN(C)c1nc2cccc(N(C)CCNC(C)=O)c2nc1Cl 882517674 WOKBXXWUUKBZCW-UHFFFAOYSA-N 392.891 1.428 0 50 GDAA Cc1nc2ccc(N(C)C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)cc2s1 885709428 KIYHMZBTQWDXRH-ZWKOTPCHSA-N 399.476 1.900 0 50 GDAA CCn1nccc1C(=O)N1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C[C@H](O)C1 1775997223 CGLWLCHUYOMWJY-RYUDHWBXSA-N 396.394 1.829 0 50 GDAA O=S(=O)(c1ccc(Cl)s1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 275254528 HAFGLOIOADSYRS-ZDUSSCGKSA-N 375.859 1.944 0 50 GDAA O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN(c3ncncc3Cl)CC2)C1 170597694 GJBVORPWIFBHNR-CQSZACIVSA-N 377.876 1.427 0 50 GDAA Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)CC2)n1 170600264 RJLALJAEYHDDME-JTQLQIEISA-N 377.392 1.048 0 50 GDAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 170948733 DRWVZTWOVDWDFH-SJORKVTESA-N 384.419 1.360 0 50 GDAA C[C@H](C(=O)NCc1ccc(-n2ccnc2)c(F)c1)N1C(=O)NC2(CCCC2)C1=O 110318089 JLZYQYPWKYPMLE-CYBMUJFWSA-N 399.426 1.881 0 50 GDAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@H](O)COc1ccc(F)c(F)c1 738499195 MUOPCIAMAZJCFL-ZDUSSCGKSA-N 380.347 1.902 0 50 GDAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cn(CCN2CCOCC2)nn1 19787309 GZUSZNIJTPCMEG-AWEZNQCLSA-N 384.362 1.039 0 50 GDAA CCn1nc(CC(=O)NC)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857678278 LLRBFQWYJDFBOM-ZDUSSCGKSA-N 383.456 1.582 0 50 GDAA C[C@@H](c1cccc(-c2nccn2CCS(=O)(=O)N2CCOCC2)c1)N(C)C 1857719020 BBHFWMMJLJWBLP-INIZCTEOSA-N 392.525 1.835 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cc(Cl)ccc3F)C[C@H]2CO1 1857740100 HZPHYBNUZYAIFS-IHRRRGAJSA-N 383.851 1.529 0 50 GDAA CN(C)C(=O)c1cccc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 368317330 WNDHJVQMWGPVQA-UHFFFAOYSA-N 387.461 1.963 0 50 GDAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@H]1CC(=O)N(c2nccs2)C1 369968338 YZNXHOBXOLKKLE-VIFPVBQESA-N 389.462 1.865 0 50 GDAA O=C1N[C@H](Cc2cncc(Br)c2)C(=O)N[C@H]1Cc1ccncc1 2325776848 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397.479 1.776 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCC(=O)NC4CC4)C3)nc2c1 1857741518 WNNDLYABWVXOAY-CYBMUJFWSA-N 386.452 1.838 0 50 GDAA CC(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)c1ccncc1F)CC2 1875243785 XDUMVAOQVXFJPA-UHFFFAOYSA-N 392.456 1.642 0 50 GDAA CCn1cc(CN(C)C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)cn1 1875247478 MQCZOQWOBKAJDN-IPMKNSEASA-N 384.480 1.821 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 1875247910 UGTJMCAVQWNADI-KFKAGJAMSA-N 386.496 1.759 0 50 GDAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[nH]1 1875258910 HDQRKQSVEPDZHQ-OAHLLOKOSA-N 390.513 1.342 0 50 GDAA NC(=O)c1csc(C(=O)N2CCO[C@H](CN=c3[nH]c4ccccc4o3)C2)c1 1875304996 BUXUAKIOVHYTMD-GFCCVEGCSA-N 386.433 1.363 0 50 GDAA C[C@@]1(NC(=O)c2nc[nH]c3nccc2-3)CCN(C(=O)c2coc(C3CC3)n2)C1 1875308984 KZOHHHQQWKQUIL-LJQANCHMSA-N 380.408 1.810 0 50 GDAA CNC(=O)C12CC(CNC(=O)C[C@@H]3CCc4ccccc43)(C1)OC21CCNCC1 1875393179 IOILAEBCNHHTAF-YTXWROIDSA-N 397.519 1.640 0 50 GDAA 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NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccccc1 4761203 WZILGSLFFWZTOV-SFHVURJKSA-N 394.431 1.607 0 50 GDAA Cc1nsc(N2CCCN(CC(=O)N[C@H]3CCOc4ccccc43)CC2)n1 247255476 FCXPMRMLSLNZKP-INIZCTEOSA-N 387.509 1.999 0 50 GDAA Cn1nc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1=O 55108171 KSZDFLPQXGJDMG-SFHVURJKSA-N 399.470 1.346 0 50 GDAA CCN1CCN(C[C@H](O)COc2cccc(CNCC(C)(C)OC)c2)CC1 23358422 XNUGHTUQDQOGIQ-IBGZPJMESA-N 379.545 1.578 0 50 GDAA Cc1cccc(-n2cc(CN3CCN(c4cc(C(N)=O)ccn4)CC3)cn2)c1 65434477 XLIWUPKHAMNPKY-UHFFFAOYSA-N 376.464 1.997 0 50 GDAA Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 65362127 GPKSECNYCXAEPI-AWEZNQCLSA-N 378.454 1.333 0 50 GDAA COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2C(=O)CCC3)cc1 20028231 DOYUFDGVRGBTIF-UHFFFAOYSA-N 397.479 1.862 0 50 GDAA CC(C)N1CCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 20448983 YNKLXDRLTDCERL-HXUWFJFHSA-N 377.529 1.285 0 50 GDAA O[C@H]1CCN(c2ccnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)C1 65502566 OEHUSWMFMQQNQS-INIZCTEOSA-N 383.452 1.099 0 50 GDAA 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CN(CC1CCN(Cc2ccccc2)CC1)c1nc2c(c(O)nc(=O)n2C)n1C 1529151865 GIHJSMNFHJHPEN-UHFFFAOYSA-N 396.495 1.721 0 50 GDAA CC(C)(C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1)N1CCOCC1 1704349736 FQQNCFPMQCJKDW-YLJYHZDGSA-N 383.492 1.707 0 50 GDAA Cc1[nH]nc2c1CN(C(=O)[C@@H]1CCc3sc(N4CCOCC4)nc3C1)CC2 1772818468 FZGWJTMKBSFLQO-CYBMUJFWSA-N 387.509 1.701 0 50 GDAA COc1ccc(CN2CCC3(CC2)CN(C)C(=O)CO3)cc1Cn1cccn1 1772814106 KJTBVXKMKPWQKG-UHFFFAOYSA-N 384.480 1.763 0 50 GDAA OC[C@]12CN(Cc3ncc[nH]3)C[C@H]1CN(Cc1ccccc1Cn1cccn1)C2 1772807356 NLIRUVLCLZNZIX-IRLDBZIGSA-N 392.507 1.581 0 50 GDAA CC(C)c1cc(CN2C[C@@H]3CN(C(=O)CCc4cnccn4)C[C@]3(CO)C2)no1 1772707005 QPLCVBGYVKOVKY-IERDGZPVSA-N 399.495 1.474 0 50 GDAA O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 12026393 YZXWZKZXIIOOSL-QZTJIDSGSA-N 389.883 1.920 0 50 GDAA Brc1cc2c(cc1C(N1CCOCC1)N1CCOCC1)OCO2 19229023 JHUKRWKCPOMQKI-UHFFFAOYSA-N 385.258 1.841 0 50 GDAA COc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCCCCC3)C3=C2C(=O)OC3)cc1 169760832 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1.075 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@H](C(=O)N(C)C)C1 1857728437 BIWOEXPRTFOCRF-LBPRGKRZSA-N 375.454 1.092 0 50 GDAA CC(C)=CCCN1C[C@@H]2[C@H](CNS(=O)(=O)c3cn[nH]c3)[C@H]3CC[C@]2(C1)O3 1857737282 FRBKLQMPAKLHFD-BSDSXHPESA-N 380.514 1.524 0 50 GDAA CN1C(=O)[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 1875251040 SAIRKZLIGSROPM-MNOVXSKESA-N 394.371 1.063 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N[C@@H]3CCCn4nc(COC)nc43)cc12 328608474 ANGRXIOAQWJSRZ-CYBMUJFWSA-N 392.441 1.337 0 50 GDAA CCc1nnc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1C1CC1 252487475 HWODEFAJBOHMOH-UHFFFAOYSA-N 395.510 1.231 0 50 GDAA CS(=O)(=O)c1ccccc1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1F 367415776 QHBSKBHIHJXABK-GOSISDBHSA-N 390.436 1.471 0 50 GDAA CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2CCOc3ccc(Cl)cc32)CC1 376088913 NXQTYOVOWMBEAG-CQSZACIVSA-N 386.901 1.994 0 50 GDAA O=C(c1nn(-c2ccc(F)cc2F)cc1O)N1C[C@@H](O)CC2(CCOCC2)C1 922897601 NYGBSMYAOLWSKE-ZDUSSCGKSA-N 393.390 1.860 0 50 GDAA CCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 2100473826 ZVUNYKLMAAHQQW-RCCFBDPRSA-N 385.468 1.042 0 50 GDAA O=C(O)c1cccc(N2C(=O)C[C@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c1 19774968 FRJKJLXNOOVERF-SFHVURJKSA-N 395.415 1.965 0 50 GDAA O=C(NCCC(=O)N1CCNC[C@H]1c1ccncc1)c1ccc2c[nH]nc2c1 2325753375 FYDABEDKNORZOQ-SFHVURJKSA-N 378.436 1.251 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356135820 UWPDOXQKTUCXRG-NRFANRHFSA-N 380.448 1.543 0 50 GDAA Cc1ncc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)c(O)n1 2356148318 QPGHRGJQXMPUFQ-HXUWFJFHSA-N 381.436 1.683 0 50 GDAA Cc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1C 2883795 QVQWKWOFPPFJLS-CQSZACIVSA-N 381.498 1.182 0 50 GDAA Cc1ccc(OCCN(C#N)c2nc(N(C)C)nc(N3CCOCC3)n2)cc1 4488307 UUDFYYVQSPNZMG-UHFFFAOYSA-N 383.456 1.449 0 50 GDAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(I)cc1 4809569 OMSAYRDGIZWRHE-SNVBAGLBSA-N 381.191 1.529 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1cccs1 4867142 BWTNSSGITQEKDH-IONNQARKSA-N 380.447 1.537 0 50 GDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)cc1 6741275 FGOJOJZOVJPWTM-UHFFFAOYSA-N 382.482 1.682 0 50 GDAA Cc1cccc(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)n1 55183354 HAKPWIOETLGFRL-UHFFFAOYSA-N 386.540 1.925 0 50 GDAA CCN1CCN(C2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)CC1 20601081 CBDIWKYFIYLIMK-UHFFFAOYSA-N 396.539 1.877 0 50 GDAA CC(C)(C)C(=O)Nc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1Cl 55167247 XQDKMJXZRDMQHY-UHFFFAOYSA-N 378.816 1.813 0 50 GDAA COc1ccccc1-c1ncc(CN2CCC(NS(C)(=O)=O)CC2)cn1 67559879 FOJJOKOTMFJCHA-UHFFFAOYSA-N 376.482 1.666 0 50 GDAA COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 65364887 IUUSFBDHSUZHNP-UHFFFAOYSA-N 391.497 1.784 0 50 GDAA O=S(=O)(c1cccc(F)c1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65365455 MUGSUURJTWQQNW-UHFFFAOYSA-N 388.428 1.312 0 50 GDAA COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NCc2cccnc2)=C1 20220016 SFNWFAZDFKNFNA-UHFFFAOYSA-N 386.433 1.270 0 50 GDAA COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1cccnc1=O 428889019 QSVRPVOKAUGJIG-UHFFFAOYSA-N 383.326 1.464 0 50 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376.276 1.843 0 50 GDAA O=C1CCCN1CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82115967 ZBGVDTWTVOXOQR-NRFANRHFSA-N 384.480 1.435 0 50 GDAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H]1CN(Cc2ccccc2)CCO1 178145990 PPPHSNUQQPOWRO-GOSISDBHSA-N 386.473 1.856 0 50 GDAA O=C(NC[C@@H]1CN2CCN1CC2)c1ccc(F)cc1I 178733713 KWWRDDWFNYCEHK-LLVKDONJSA-N 389.212 1.160 0 50 GDAA CCOc1ccc(C)cc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1 426716842 IIZAQUNCGCZESL-UHFFFAOYSA-N 392.481 1.431 0 50 GDAA NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)C1 291039711 UPVFPGBQRAMJCD-GHTZIAJQSA-N 388.512 1.311 0 50 GDAA CCN(C(=O)c1ccc(-c2nc(=NC)cc(C)[nH]2)cc1)[C@@H]1CCS(=O)(=O)C1 426667351 IMZSTGXZTJZZJC-MRXNPFEDSA-N 388.493 1.565 0 50 GDAA COc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1OC1CCN(C(C)C)CC1 95521235 FAMUNQZEKBNDMQ-QGZVFWFLSA-N 389.496 1.907 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1noc(-c3ccccc3)n1)C2 95525769 QPUOLQFUWLXDCF-JKSUJKDBSA-N 383.452 1.248 0 50 GDAA Cc1cccc(CS(=O)(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1 95392229 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O=C(Cc1ccccc1)NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1857713055 BFVLWALLLNMNMO-XKGFGPFHSA-N 382.439 1.958 0 50 GDAA COCC1(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)CC1 1857717348 LOIYPPNKRVMRND-PMACEKPBSA-N 388.508 1.838 0 50 GDAA NS(=O)(=O)CCCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857718391 HLAZXBCFAYFXTG-HKUYNNGSSA-N 395.525 1.120 0 50 GDAA NC(=O)c1ccc(-c2nc([C@H]3C[C@@H](N)[C@H](O)C3)n(Cc3ccccc3)n2)cc1 1857719375 JQWWPHUGDQUSFV-RCCFBDPRSA-N 377.448 1.658 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2ccn(C(F)F)n2)cc1OC 1875240257 OFXZOHDIEFKECP-HOTGVXAUSA-N 397.378 1.870 0 50 GDAA O=S(=O)(NC[C@H]1[C@H]2CN(c3ccc(Cl)cn3)C[C@]23CC[C@H]1O3)C1CC1 1875243766 WJMIDVKAHJPFCG-KLZNWCGWSA-N 383.901 1.801 0 50 GDAA CC(C)(CN1C[C@@H]2[C@H](CNS(C)(=O)=O)[C@H]3CC[C@]2(C1)O3)N1CCCCC1 1875246133 IUXUXGKSPZUOPS-DODZYUBVSA-N 385.574 1.280 0 50 GDAA Cn1cc(CCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)cn1 213413856 XYAOZFBOUFADPG-AEFFLSMTSA-N 384.484 1.158 0 50 GDAA 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388.493 1.915 0 50 GDAA CCOCCC(=O)N1CCc2ncc(CNC(=O)[C@H](CC)n3cccn3)cc2C1 1875249171 JOMZJARMBXDMNF-IBGZPJMESA-N 399.495 1.857 0 50 GDAA Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C 1875302931 OHJFGFHCJIHNMA-DZGCQCFKSA-N 390.484 1.815 0 50 GDAA COC1(C(F)(F)C(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)CCCC1 2325780893 WTVFFOYAMOZIQT-KGLIPLIRSA-N 384.427 1.350 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3cccc4c3OCCCO4)C2)cc[nH]1 2325785390 VXBPSZWSSLIVPZ-WBVHZDCISA-N 385.468 1.095 0 50 GDAA COCC[C@@]1(C(=O)O)CCN(C(=O)[C@H]2CCCN2c2ncnc3ccccc23)C1 2325790767 IPSQFFDJGLLBSW-UTKZUKDTSA-N 398.463 1.938 0 50 GDAA CCN(CCN=c1ccc2nnnn2[nH]1)C(=O)[C@@H]1CCc2c(Cl)cccc21 2325793914 LGKAKDLBWCQNLU-CQSZACIVSA-N 385.859 1.585 0 50 GDAA NC(=O)CNC(=O)Nc1cccc(NC(=O)c2cccc3ncnc(O)c23)c1 2325862718 FPMXNLPFTBTHHI-UHFFFAOYSA-N 380.364 1.195 0 50 GDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2csc(-c3ncc[nH]3)n2)c1 2325862757 HRETZMMSHCEZPO-UHFFFAOYSA-N 399.436 1.782 0 50 GDAA O=C(C[C@H]1C=CCCC1)N[C@@H]1CC2(CN(C(=O)c3n[nH]cc3F)C2)n2ccnc21 2332237845 OHXIYMMOLGGKMI-DZGCQCFKSA-N 398.442 1.904 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356168984 RHLQKOKWLMZXTI-LRDDRELGSA-N 375.874 1.677 0 50 GDAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 4828631 QWUZNPIUVVTEDW-UHFFFAOYSA-N 377.422 1.667 0 50 GDAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8448892 JYHPQMMWDLOBTF-UHFFFAOYSA-N 394.518 1.944 0 50 GDAA C[C@@H](NC(=O)c1ccccc1Br)c1nnc(SCC(N)=O)n1C 8784264 FIYGBHLQKGYZEI-MRVPVSSYSA-N 398.286 1.646 0 50 GDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 10323823 UQYIPGIZDBNWPX-UHFFFAOYSA-N 386.445 1.094 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccnc1 11821863 YBVVTOFJYHXMMK-IBGZPJMESA-N 396.491 1.829 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1C[C@@H]1CCCO1 12317010 CNFFHVKYZBWRSU-KRWDZBQOSA-N 385.530 1.857 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cscn3)C2)cc1 15064823 SBMJNAKXNMHNFP-ZDUSSCGKSA-N 395.506 1.982 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20213998 NUOFOAHLUSLDEQ-KRWDZBQOSA-N 392.887 1.759 0 50 GDAA CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC[C@@H]1c1ccc(C(=O)NC)s1 23337637 OKVNGOBWVWFYTP-LLVKDONJSA-N 378.454 1.638 0 50 GDAA O=C1CN(Cc2cn(C3CCN(Cc4ccccc4Cl)CC3)nn2)CCN1 23582083 PYKBYJFYZDBZTD-UHFFFAOYSA-N 388.903 1.700 0 50 GDAA COC(=O)[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1ccccc1 55132537 WPQVPELXUZTTDM-KRWDZBQOSA-N 381.388 1.777 0 50 GDAA CCOCC1CCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC1 67560308 XWJCGQRINHFICF-UHFFFAOYSA-N 388.511 1.529 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H]2CCCN2)CC1 67654672 HUEAJKHAKJREDC-GOSISDBHSA-N 395.507 1.785 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCCCCC4)cc3)nn2)CN1 67714410 PIJXCMIPMSIVOP-MOPGFXCFSA-N 382.512 1.970 0 50 GDAA O=C(CSc1ncccn1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67772206 GHAZPFGVDNJALA-AWEZNQCLSA-N 396.476 1.849 0 50 GDAA CCn1c(C2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)n[nH]c1=O 67974191 NOQTYISPFFLUDQ-UHFFFAOYSA-N 381.440 1.500 0 50 GDAA CNc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71422107 DLAHXNXIAUZUJL-AWEZNQCLSA-N 386.500 1.114 0 50 GDAA COc1nc2c(cc1CNC(=O)C1(C)CCNCC1)C(=O)N(C1CCCC1)C2 71613853 JJACASRMCGTRQS-UHFFFAOYSA-N 386.496 1.995 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)[C@H]3Cc4ccccc4CN3)cc2C1=O 71760249 PPQAKVSAAMHNEK-QGZVFWFLSA-N 380.448 1.397 0 50 GDAA CSCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77322152 GDEDKCPOEIIXKH-HNNXBMFYSA-N 384.523 1.392 0 50 GDAA CCCCc1nn(CC(=O)N2CCC[C@H](O)C2)c(=O)n1CCc1ccccc1 77428091 UUHLNPIGRMIJBI-SFHVURJKSA-N 386.496 1.613 0 50 GDAA Cc1ncc(CC(=O)N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1 77537040 GXUSAGLXOXGVBZ-NRFANRHFSA-N 386.496 1.795 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 96133342 UYNBXUHBUADOKR-UHFFFAOYSA-N 386.843 1.689 0 50 GDAA CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2c(C)csc2C(=O)OC)CC1 170602767 UNPTUMPXLZNZFK-ZDUSSCGKSA-N 396.513 1.907 0 50 GDAA Cc1nc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)sc1Br 180106690 FRYRBUZAVYZQNM-SSDOTTSWSA-N 378.277 1.619 0 50 GDAA C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CCN1S(C)(=O)=O 181572966 KWFGGVIGFHGNJZ-JTQLQIEISA-N 391.287 1.644 0 50 GDAA CC(=O)Nc1ccc(OC[C@H](O)Cn2nnc(Cc3ccccc3C)n2)cc1 193397445 WKBRUUBAXKBQOG-GOSISDBHSA-N 381.436 1.971 0 50 GDAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 238091492 QETSAJCSNQBMFG-CYBMUJFWSA-N 387.267 1.586 0 50 GDAA C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)C(=O)c1ccccc1 239121098 JHOBKPSSCGRTAN-XRGCCOQOSA-N 379.412 1.854 0 50 GDAA C[C@H]1C(=O)N(Cc2ccccc2)CCN1Cc1cc(=O)n2cccc(O)c2n1 244678885 ILUKZLFIVXVVCD-HNNXBMFYSA-N 378.432 1.633 0 50 GDAA O=C(NCc1nc(-c2ccccc2)cs1)c1cc2n(n1)C[C@@H](O)CNC2=O 252504183 VHYUXIJKIFEKJM-LBPRGKRZSA-N 383.433 1.041 0 50 GDAA NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)cc1 252535787 GWGSTJCLNBHGIG-PVXIVEMSSA-N 376.438 1.363 0 50 GDAA COC(=O)CCS(=O)(=O)NC(=O)c1c(-c2ccccc2Cl)noc1C 253425244 RJMWELGYJDBNHT-UHFFFAOYSA-N 386.813 1.926 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCc2nnc(N)o2)no1 253427323 FFSDQHZHLXWEDG-QMMMGPOBSA-N 379.377 1.037 0 50 GDAA Cn1cc(N2CC[C@H](NC(=O)N3Cc4ccccc4OC(C)(C)C3)C2=O)cn1 290959866 HOWRVBVCIZMZPG-INIZCTEOSA-N 383.452 1.908 0 50 GDAA Cc1nc(C(C)C)ncc1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299757885 CTRYAFBWRUCDRL-FORWCCJISA-N 375.469 1.537 0 50 GDAA CCOc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)cn1 328638842 WOQQHHVGTVONGZ-GXTWGEPZSA-N 394.453 1.891 0 50 GDAA Cc1nnc2c3ccccc3c(N3CCN(C(=O)CN4CCCC4)CC3)nn12 329376258 LSHDWPKFDBDLEH-UHFFFAOYSA-N 379.468 1.330 0 50 GDAA Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3noc4c3CCCCC4)no2)cn1 329988812 HMWPLCPPRIMMFK-AWEZNQCLSA-N 398.423 1.941 0 50 GDAA O=C1N[C@H]2CN(Cc3cc(Cl)cc4c3OCC4)CC[C@@H]2N1C1CCNCC1 333199857 XJTPTDZQPZOGPF-ROUUACIJSA-N 390.915 1.995 0 50 GDAA COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc1OC 363549808 RMYDGCFVJRZGDL-HOCLYGCPSA-N 375.469 1.519 0 50 GDAA CCC[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CCN1CCOC 378330604 HUHBKDHVMJLLLG-GOSISDBHSA-N 386.500 1.910 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(N3CCSCC3)CC2)CN1Cc1ccccn1 827696776 XHLJJMYHWHSSDJ-INIZCTEOSA-N 388.537 1.470 0 50 GDAA Cc1cccc(=O)n1CCC(=O)NC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 827823041 LVHSAWJTMPZVAT-MRXNPFEDSA-N 394.479 1.851 0 50 GDAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)c1ccnnc1 1506399335 LZKMKRGPZASZKS-CYBMUJFWSA-N 378.429 1.446 0 50 GDAA OC1CCN(c2ccnc(NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)n2)CC1 1529167081 FXGUZYAEZCRKTR-JNKARSBBSA-N 396.499 1.584 0 50 GDAA O=C(Cn1cnnn1)N1CCCN(Cc2ccc(-c3ccccc3F)o2)CC1 1529174349 UKQXQOOLSDMANM-UHFFFAOYSA-N 384.415 1.807 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC(=O)N(C(C)C)C3)CC2)cc1 1775980222 UYWWJYDXYKSXJE-SFHVURJKSA-N 393.553 1.948 0 50 GDAA O=C(CCC(F)(F)F)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857670718 FOJBFUTYHVVKEQ-QWRGUYRKSA-N 378.372 1.669 0 50 GDAA CNC(=O)Cc1nc(-c2cccc3nn[nH]c23)n(-c2ccc3c(c2)OCCO3)n1 1857676623 JRJKALXMHFWBTI-UHFFFAOYSA-N 391.391 1.265 0 50 GDAA Cn1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cc1=O 1857689631 UJIWKDNIFXIPBD-OKZBNKHCSA-N 387.867 1.983 0 50 GDAA COc1ccccc1-n1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2noc(C)n2)cn1 1857694983 OAKTWZWHVQIAPD-RDJZCZTQSA-N 394.435 1.952 0 50 GDAA COC1(C(=O)NCCc2cccnc2)CCN(Cc2nc(C3CC3)no2)CC1 1857697975 SDJSOARZDLOKSG-UHFFFAOYSA-N 385.468 1.682 0 50 GDAA O=C(NCc1ncon1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857723584 MGHXYDMGTMFBMM-GFCCVEGCSA-N 384.421 1.181 0 50 GDAA COc1cnc(N2C[C@@H]3[C@H](CNS(=O)(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)nc1 1857734876 WTHQRJCYRDLRLP-BVIKNXMNSA-N 396.513 1.044 0 50 GDAA CCC(=O)N1CCC[C@]2(CCc3c(N4CCS(=O)(=O)CC4)nc(C)nc32)C1 1875250043 TTXXTXUAABODGA-IBGZPJMESA-N 392.525 1.236 0 50 GDAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2nc3cccnc3[nH]2)C1 1875293560 VEUQTOIGOKKAJM-GRYCIOLGSA-N 383.481 1.885 0 50 GDAA CNC(=O)c1cc(O[C@H]2CCCN(c3ncnc4c3nnn4C3CC3)C2)ccn1 1875320459 QEGNOFWFSNZFJX-AWEZNQCLSA-N 394.439 1.359 0 50 GDAA O=C(Cn1cnnn1)N1CCC[C@@H]([C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1875322662 ZVSKBZYDWMYVSE-HZPDHXFCSA-N 386.500 1.341 0 50 GDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCO[C@@H](c2nn[nH]n2)C1 2100482265 MPYQUJXAACOSOI-OAHLLOKOSA-N 390.407 1.206 0 50 GDAA COC(=O)c1nc(N2CCN(c3nccc(OC)n3)CC2)c2sccc2n1 2325802324 ZSJQWEXOGUZFLP-UHFFFAOYSA-N 386.437 1.603 0 50 GDAA O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)C(=O)N[C@H]1CCNC1=O 2325829845 UIRLTUQSNBEVTN-ZDUSSCGKSA-N 381.367 1.084 0 50 GDAA Cn1ccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1=O 2356150930 ISDVZKHCYLJKHT-FIKGOQFSSA-N 387.480 1.286 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC[C@@]12CCCN(C)C2=O 2356164224 KFFGWXQJCJFSTO-GOSISDBHSA-N 396.465 1.098 0 50 GDAA CC(C)Oc1cc(O)cc(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)c1 2356167461 PENMXEBYNHGACD-FQEVSTJZSA-N 376.453 1.769 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCC(C)CC3)ccc21 4969000 BERQIPIRFFRDTO-UHFFFAOYSA-N 379.526 1.996 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)c1ccc(F)cc1 11838993 ZPBGRFCUCUEGEE-HNNXBMFYSA-N 375.444 1.807 0 50 GDAA CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC[C@H]2COCCO2)nn1 12282020 CGOZJYFQBKFJLW-INIZCTEOSA-N 390.415 1.163 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)CC1 12446728 BOIUCIRBIIVNBR-UHFFFAOYSA-N 385.516 1.940 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1csc(C)n1 12713607 KOCHMUFFZFGQQN-INIZCTEOSA-N 388.493 1.467 0 50 GDAA Cn1c(CCNC(=O)CC2CCCC2)nnc1SCCN1CCOCC1 14991976 QIKKYTMQLPMIEE-UHFFFAOYSA-N 381.546 1.478 0 50 GDAA O=C(NCCCN1CCOCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 19219434 WRRYAZXVQWHFOH-QGZVFWFLSA-N 377.460 1.403 0 50 GDAA Cc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1Cl 19831171 LBAPUCAIGPUVCB-OAHLLOKOSA-N 379.888 1.840 0 50 GDAA CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 19860407 XFUJFKJKTPJEDK-INIZCTEOSA-N 399.944 1.656 0 50 GDAA O=C(c1cnc2sccn2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20767503 MSQSXRHFHKMJEB-UHFFFAOYSA-N 398.444 1.443 0 50 GDAA CN1C[C@H](NC2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)CCC1=O 23369049 UVAKYLXRCAMTQV-QGZVFWFLSA-N 385.512 1.738 0 50 GDAA COCC(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40395864 DTHLCRDIHVQTSD-UHFFFAOYSA-N 384.783 1.476 0 50 GDAA CC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)Cc1ccccc1 55225895 ICYMCAAUQICPJC-UHFFFAOYSA-N 390.509 1.445 0 50 GDAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](Cn3cc(CCO)nn3)C2)c1 63846369 AEIUAIUURMAJQH-INIZCTEOSA-N 378.498 1.531 0 50 GDAA CCc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)N2CCCC2)CC1 65381824 OADSNXMGXKWXOU-UHFFFAOYSA-N 394.541 1.536 0 50 GDAA CCCc1ccc([C@@H](C)NC(=O)CN2CCN(c3cn[nH]c(=O)c3)CC2)cc1 65398225 GJLFSRPPWARMAH-MRXNPFEDSA-N 383.496 1.722 0 50 GDAA COc1cccc(CCNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)c1 67490118 YORKECUEKBNOMY-UHFFFAOYSA-N 396.490 1.622 0 50 GDAA O=C(NCc1cccnc1N1CCOCC1)[C@H](c1cccnc1)N1CCCC1 67847188 JCABANVEZVIHHN-IBGZPJMESA-N 381.480 1.767 0 50 GDAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)CCCc1cn[nH]c1)CC2 91616782 VRLFVDVTUMVKFO-CQSZACIVSA-N 376.457 1.437 0 50 GDAA C[C@H](C(=O)N1CCC2(CCC(=O)N(CCCN(C)C)C2)CC1)n1ccnc1 91625358 YCAJGXGAKBZIIF-QGZVFWFLSA-N 375.517 1.627 0 50 GDAA CCOc1cccc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1 91665597 AFUKPPZXSZJIDW-UHFFFAOYSA-N 392.481 1.377 0 50 GDAA COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91756644 NCEIHAMOIRIEBT-VMPITWQZSA-N 385.464 1.897 0 50 GDAA O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1c[nH]nc1-n1cnnn1 91846640 OGZIAPSXMUHLJH-OAHLLOKOSA-N 388.395 1.045 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)NC[C@H]1CN(c2ccccc2)CCO1 91915099 AJHKAZSHGNLWFQ-SFHVURJKSA-N 378.432 1.418 0 50 GDAA COc1ncccc1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91986511 CHFRDZPMJUVSTK-UHFFFAOYSA-N 383.452 1.749 0 50 GDAA CC(C)n1cnnc1CN1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 95356160 AACWKFARSIYPTJ-YLJYHZDGSA-N 375.517 1.835 0 50 GDAA CN1CCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 95499691 PXVXPCIFGWOCEV-KRWDZBQOSA-N 385.512 1.506 0 50 GDAA CCN1CCN(C(=O)c2c(C)oc3c2C(=O)CCC3)[C@H]2CS(=O)(=O)C[C@H]21 95508824 RNSXKIKSWIBUGK-OLZOCXBDSA-N 380.466 1.050 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccs2)CN1Cc1nccs1 96167210 GGADCCAAQFTEJI-JSGCOSHPSA-N 378.523 1.643 0 50 GDAA Cc1nnc(SCCCNC(=O)Cn2ncc3ccccc3c2=O)s1 97713694 ZEUMYCWBROIOOQ-UHFFFAOYSA-N 375.479 1.855 0 50 GDAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC(N2CCCCC2=O)CC1 122500709 OVQJLSQRCJVRLJ-UHFFFAOYSA-N 398.438 1.989 0 50 GDAA O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](c2nn[nH]n2)C1 155486111 FEHRCGRTGNCHAL-ZYHUDNBSSA-N 376.367 1.237 0 50 GDAA COC(=O)c1ccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc1 169779513 GFHWIWXGCQCYEN-UHFFFAOYSA-N 393.403 1.742 0 50 GDAA O=C(CN1CCOCC2(CCOCC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 184095846 ZXSYQRXFAJGOBS-IBGZPJMESA-N 392.471 1.855 0 50 GDAA O=C(O)c1cc(S(=O)(=O)NCCN2CCc3ccccc3C2)ccc1F 238200853 ULPMQKRBXHDHCH-UHFFFAOYSA-N 378.425 1.861 0 50 GDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)[C@H]3CC[C@@H](O)CC3)C[C@H]21 244796206 RUZQRIPRYDHDFG-XBMZAUBUSA-N 375.421 1.636 0 50 GDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c(OC)c1 245246434 LRFLYGAWILIZLP-OWSLCNJRSA-N 396.399 1.607 0 50 GDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1 262361707 IXINEOZIWUYMDM-ZYHUDNBSSA-N 376.306 1.869 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1 299749300 JWKRADRSVUCBEV-KRWDZBQOSA-N 393.399 1.370 0 50 GDAA CCc1noc2ncc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)cc12 329085889 UMIUAFDXZUKSDW-UHFFFAOYSA-N 381.392 1.484 0 50 GDAA O=C(N[C@@H]1CCc2n[nH]cc2C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 377435908 UXEUELXNDUVOMS-OAHLLOKOSA-N 389.477 1.406 0 50 GDAA Cc1cc(C)n2c(C(=O)NCc3nncn3CCc3ccccc3)nnc2n1 670451874 YHVQFYATPZRYAT-UHFFFAOYSA-N 376.424 1.505 0 50 GDAA CS(=O)(=O)c1ccc(CN2CCC[C@@H](CNC(=O)C3CCOCC3)C2)cc1 827763567 APFJRABRJZBQMM-KRWDZBQOSA-N 394.537 1.845 0 50 GDAA CCNC(=O)C[S@@](=O)c1cccc(NS(=O)(=O)C[C@H](OC)C2CC2)c1 888096757 LBVNOERWIAFNFC-IZHWHUGBSA-N 388.511 1.097 0 50 GDAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)C(C)C)C1 907481515 BGUIIBLLTRGQKM-RDJZCZTQSA-N 386.496 1.895 0 50 GDAA O=C1CCCN1CCCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 952860230 ITCJYFBMCZMSFR-QGZVFWFLSA-N 378.494 1.605 0 50 GDAA COc1cc(NC(=O)c2ccc(Cn3nnnc3C)cc2)cc(-n2cnnn2)c1 952975484 FIRKFVNGGIHIND-UHFFFAOYSA-N 391.395 1.266 0 50 GDAA COc1ccc(CN2CCN(C(=O)CSc3nnc(N)s3)CC2=O)cc1 952987773 LHZSDQMPDIDMNT-UHFFFAOYSA-N 393.494 1.092 0 50 GDAA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O 1254784012 DJZPTPFNEOFHFL-QGZVFWFLSA-N 393.365 1.875 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)c2ccccc2O1 1317726390 SFNURFKOJWAMCD-KSSFIOAISA-N 379.416 1.677 0 50 GDAA CCCC(=O)NC[C@H]1CCCN(c2nnnn2C[C@H]2CC(=O)N(CCC)C2)C1 1334372008 PJXMUUXFMPUKNF-CVEARBPZSA-N 391.520 1.064 0 50 GDAA CN1CCN([C@H]2CN(C3CCN(c4ccc(F)c(F)c4)CC3)C[C@@H]2O)CC1 1506400233 JOFRUIGRISBIGD-PMACEKPBSA-N 380.483 1.226 0 50 GDAA Cc1cc(C(=O)N2CCC(CNC(=O)c3ccccc3-n3cnnc3)CC2)no1 1506402544 JIIJBCCEDILBJE-UHFFFAOYSA-N 394.435 1.846 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)[C@H]2CC[C@@H](O)CC2)cc1OC 1529111994 FGGFYIXSCAKVGN-ALQDCCJHSA-N 379.453 1.516 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1NS(=O)(=O)N(C)C 1565510973 PKJKKYLNVJITPN-HIFRSBDPSA-N 375.441 1.457 0 50 GDAA COc1cc(CC(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc(OC)c1OC 1616072821 ZYSFIZNCTPPRIB-IRXDYDNUSA-N 386.448 1.712 0 50 GDAA COc1cc(N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)nc(N)n1 1772812100 ANADKTPUFRTZIZ-UHFFFAOYSA-N 395.419 1.526 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc(O)nc3)CC(=O)N2[C@H]1c1ccccc1 1857669172 ZYJXCVBWKTUYIB-BXWFABGCSA-N 395.415 1.374 0 50 GDAA O=C(c1ccccn1)N1CC[C@]2(C1)Cn1c(nnc1Cc1cccnc1)CO2 1857686097 HSECVMXPFGHFAW-FQEVSTJZSA-N 376.420 1.474 0 50 GDAA N=c1nc(N2C[C@@H]3[C@H](CNC(=O)CC4CCCCC4)[C@H]4CC[C@]3(C2)O4)cc[nH]1 1857713351 WEHJYEFAXVMLMG-BIZBXSGISA-N 385.512 1.960 0 50 GDAA Cc1ccncc1C(=O)NC[C@H]1[C@H]2CN(CCn3cccn3)C[C@]23CC[C@H]1O3 1857715665 CBHYTSYEVQHTGD-QEUVDIPISA-N 381.480 1.496 0 50 GDAA CC(=O)NCCCC(=O)N1CCC(C2CCN(c3noc(C)n3)CC2)CC1 1857737739 ANTFHFKLZTYZQF-UHFFFAOYSA-N 377.489 1.749 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)s1 1857740289 LZHBBJSXQZOPQT-NSHDSACASA-N 384.465 1.689 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(=O)CCn1cccn1 1875244771 UFPVDVCMUDECAF-RCCFBDPRSA-N 376.501 1.976 0 50 GDAA CC[C@@H](C)C(=O)NCc1cnc2c(c1)CN(C(=O)CCn1ccccc1=O)CC2 1875244804 VMTIHVVQJFOULI-MRXNPFEDSA-N 396.491 1.881 0 50 GDAA CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1ncn2CC1(CO)COC1 1875269287 SQOFQLIPQADNJD-UHFFFAOYSA-N 383.408 1.200 0 50 GDAA CN(C(=O)[C@@H]1CC[C@H]2NC(=O)C(C)(C)[C@@H]2C1)c1ccc(N2CCOCC2)nc1 1875295502 ZVAKHNPYIMTUQA-DJIMGWMZSA-N 386.496 1.822 0 50 GDAA C[C@@H](CNC(=O)c1cnn(C)c1Cc1ccccc1)n1cc(C2(O)CCC2)nn1 1875358466 XHDNSRPZBXAQSW-HNNXBMFYSA-N 394.479 1.965 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cc(C(F)(F)F)n[nH]2)ncn1 1875398229 HVYDTRXHSWVDGF-VXGBXAGGSA-N 385.394 1.332 0 50 GDAA CO[C@@H]1CN(c2cc[nH]c(=NCCc3cn(C)c4ncccc34)n2)C[C@@H]1N(C)C 1875398237 ICQRNDCSXUQOLM-ZWKOTPCHSA-N 395.511 1.205 0 50 GDAA COCCN1CCC[C@@]2(CCCN(C(=O)c3ccc(=O)n(C)c3)[C@@H]2C)C1=O 1940196628 WVYDUUITAWPZLI-QRWLVFNGSA-N 375.469 1.265 0 50 GDAA Cn1cc(C(=O)N2CC[C@@](O)(c3cccc(Br)c3)C2)ncc1=O 2325800125 RAKGFCXYXDNZND-INIZCTEOSA-N 378.226 1.277 0 50 GDAA CN1CCCN(CC(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)CC1 2356147824 QXVQEMQUZDUDHB-HSZRJFAPSA-N 398.551 1.808 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)OCC(=O)N1C 2356149450 ARZOXUAOLHCMHW-KGLIPLIRSA-N 397.357 1.347 0 50 GDAA COc1ccc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1OC 2158789 RUTLJKSGNVVSCY-UHFFFAOYSA-N 388.420 1.385 0 50 GDAA biogenic CN1CCc2ccc(C(=O)N3CC[C@H](O)[C@](Cc4ccccc4)(C(=O)O)C3)nc21 2356136561 ZIQRVBDKQGEDIB-PGRDOPGGSA-N 395.459 1.594 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 4854673 DRHDTWCSWNSSOT-QGZVFWFLSA-N 396.509 1.781 0 50 GDAA CCn1cnnc1CNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 225550438 UTHHXPCGGGWOLO-UHFFFAOYSA-N 384.421 1.980 0 50 GDAA COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@H]2NC(=O)NC2=O)c1 55245504 WNAPMUQXLDDNHM-CQSZACIVSA-N 382.376 1.484 0 50 GDAA Cc1nn(C)c2ncc(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)cc12 252480470 CASGFMVOSLTMSP-KRWDZBQOSA-N 381.411 1.947 0 50 GDAA COc1ccc(NC(=O)c2c(O)c3ccccc3n(CCC(N)=O)c2=O)cc1 170624798 FYMZWSDQHZUFFJ-UHFFFAOYSA-N 381.388 1.843 0 50 GDAA O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NCCc1ccccc1 932436 HSBZIYYRBPYJQJ-UHFFFAOYSA-N 383.433 1.842 0 50 GDAA COc1ccc2nc(C)nc(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)c2c1 328613320 RNIMLQXWGRLRRD-ORAYPTAESA-N 380.452 2.312 0 50 GDAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1C[C@H](CO)[C@H](c2ccsc2)C1 328611967 NHMWJPNTGBHJFJ-FMKPAKJESA-N 383.495 1.303 0 50 GDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71333207 JLPFWRZCGQDYTI-GOSISDBHSA-N 395.390 1.862 0 50 GDAA CSc1nc(C)c(CCC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(O)n1 333501041 CSRSYPCKLPTRBJ-UHFFFAOYSA-N 387.527 1.571 0 50 GDAA CCNC(=O)CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72121886 JXWQMNVABKFCDI-SFHVURJKSA-N 388.512 1.133 0 50 GDAA C[C@](O)(C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1)c1ccccc1 71776761 GCKXAKCAYJPCCQ-OAQYLSRUSA-N 376.416 1.624 0 50 GDAA COc1cc2c(cc1CN1CCC3(CC1)C[C@@H](C(=O)O)N(C)C3)OCCO2 72125498 OKEPTGIIKPSJQY-HNNXBMFYSA-N 376.453 1.837 0 50 GDAA C[C@@H]1c2cccn2CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 241588304 PBUFZLJHLBJMHX-ZIAGYGMSSA-N 388.493 1.490 0 50 GDAA Cc1cccc(-c2noc(CCC(=O)N3CCN(Cc4nc[nH]n4)CC3)n2)c1 426374110 BZHJRTUCPQOMPC-UHFFFAOYSA-N 381.440 1.440 0 50 GDAA O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCN(Cc2ccccc2)C1 194013370 GOJJDINYPIHEQK-SFHVURJKSA-N 381.480 1.633 0 50 GDAA Cc1nc(N2CCCCC2)ncc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 426406340 UQVIJVYVYMQDGA-MRXNPFEDSA-N 381.484 1.964 0 50 GDAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1cccc(N2N=C(C)[C@](O)(CC)C2=O)c1 230497502 YRPONWNRAIDBEF-IIBYNOLFSA-N 386.496 1.964 0 50 GDAA CN1CC2(CCN(C(=O)CCn3cnnn3)CC2)C[C@@H](c2ccccc2)C1=O 95385520 REVTVHPACYJOHQ-KRWDZBQOSA-N 382.468 1.318 0 50 GDAA COc1ccc(CNC(=O)[C@H]2CNC[C@@H](C(=O)Nc3ccc(C)nc3)C2)cc1 95367950 AZZKQWYAMIVEJQ-SJORKVTESA-N 382.464 1.879 0 50 GDAA O=C(c1cncc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)n1)N1CCCC1 95523164 YCSFUJAIDCMYAJ-IIBYNOLFSA-N 380.448 1.688 0 50 GDAA O=C(N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1)C1(c2ccc(F)cc2)CC1 95372754 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C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)CC1 1875369396 LQXCHPMOQSHMDV-INIZCTEOSA-N 399.491 1.935 0 50 GDAA CN1Cc2nncn2C[C@@H]1c1nc(-c2cccc(OCC(=O)NC3CC3)c2)no1 952895919 XYSKVWKAGKGHPP-OAHLLOKOSA-N 395.423 1.172 0 50 GDAA COCCc1noc([C@@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)n1 952979621 DTKYUMKCVYEYGD-OAHLLOKOSA-N 375.473 1.948 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 952976040 UGRQALONUVCSHQ-LBPRGKRZSA-N 399.538 1.519 0 50 GDAA COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)C2 888094012 VECKLESWBGWERR-OAHLLOKOSA-N 379.482 1.677 0 50 GDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@@H]1CC(=O)N1CCC(CO)CC1 39542718 ANTAIBIRSXXDKL-QGZVFWFLSA-N 397.878 1.401 0 50 GDAA CCN1CCO[C@H](C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)C1 187116472 PMNRUOHECNOMPL-HNNXBMFYSA-N 375.498 1.369 0 50 GDAA CCC[C@H](O)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 187305158 WZKGPTHHJCGFCU-JTQLQIEISA-N 379.276 1.847 0 50 GDAA Cc1cc2c(N3CCN(Cc4nnnn4CC(F)(F)F)CC3)ncnc2s1 191199712 XLAGNURGDUJXSO-UHFFFAOYSA-N 398.418 1.871 0 50 GDAA CN(C)c1n[nH]c(C2CCN(C(=O)c3cnn(-c4ccc(F)cc4)n3)CC2)n1 774275544 MMUYMXPUNGXXPL-UHFFFAOYSA-N 384.419 1.610 0 50 GDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1c(N3CCOCC3)noc1-c1ccccc1)C2 1704304098 ANVJDYOYFGDUHS-VQFNDLOPSA-N 382.464 1.988 0 50 GDAA O=C1CCCCN1CCC(=O)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616073252 GHYIPTCNNGVMPN-PXNSSMCTSA-N 381.476 1.999 0 50 GDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cccn1 12030480 CAOUOTKSFUNTGE-HXUWFJFHSA-N 391.560 1.554 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 12433578 UBMJQOANZRIOOW-NRFANRHFSA-N 379.464 1.948 0 50 GDAA COc1cccc(-n2cc(CN(C)C(=O)c3cn(C[C@@H]4CCCO4)nn3)cn2)c1 14979932 CWHYZLKNDKGTRU-SFHVURJKSA-N 396.451 1.924 0 50 GDAA CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 19848226 JWPZTUYAMVWRRD-UHFFFAOYSA-N 385.917 1.902 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CC2=O)s1 1857696805 DJTOMRSEPLGODI-CQSZACIVSA-N 386.477 1.710 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCc3ccccc3F)CC2=O)s1 1857710806 QSEFETIAPVUIGT-LBPRGKRZSA-N 378.429 1.535 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857718465 VFJMWEJALNXHNJ-YESZJQIVSA-N 376.482 1.221 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCCN3CCc4ccccc4C3)CC2=O)s1 1857732966 PDIHMXILQDFUCW-INIZCTEOSA-N 385.493 1.374 0 50 GDAA COc1cccc(CC(=O)NCCn2cc(C(=O)NCc3cccs3)nn2)c1 12218084 ZXGGKKKWBBNRLP-UHFFFAOYSA-N 399.476 1.637 0 50 GDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H]1NCCc2ccccc21 262413965 QXWBHPHKIHTEHK-VQTJNVASSA-N 376.464 1.769 0 50 GDAA CN(CCCC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)C(=O)c1ccncc1 827443193 IIRQWQBTYSVCCG-GOSISDBHSA-N 380.448 1.877 0 50 GDAA Cc1ccc(-n2[nH]c(C(=O)N3CCN(Cc4nccn4C)[C@H](C)C3)cc2=O)cc1 2325738790 VWUNBUUARMLLIH-MRXNPFEDSA-N 394.479 1.554 0 50 GDAA Cn1cc([C@@H]2C[C@H](C(=O)NC[C@@H](CO)c3ccc(Cl)cc3)CC(=O)N2)cn1 2325780346 ZSGOGCWCMGKZFT-QRTARXTBSA-N 390.871 1.533 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cccc2c1COC2 2325875448 SGEBNIOUYHBRJW-XYEKJYRLSA-N 379.434 1.257 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cccc3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325875596 XKIMULKXPYYUAM-DOMZBBRYSA-N 376.434 1.631 0 50 GDAA CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCc1ccc2sccc2c1 2332237596 CXMQIRRCJSWQAP-HUUCEWRRSA-N 394.518 1.847 0 50 GDAA CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)n[nH]2)cc1 2356143830 XPYDXIDMILZWRJ-OALUTQOASA-N 385.464 1.756 0 50 GDAA CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1 2960946 DRLGXFWSONEHSS-CYBMUJFWSA-N 376.438 1.927 0 50 GDAA COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2996240 BFZVTJRJSDSPET-UHFFFAOYSA-N 378.450 1.754 0 50 GDAA Cc1ccc2nc(SCC(=O)N3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)[nH]c2c1 2356155453 HRQCLCUXVNSHGX-CVEARBPZSA-N 391.493 1.467 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cn(-c3ccccc3)nn2)C1 2356157588 MIEKXPYWYKGYKZ-HXUWFJFHSA-N 375.436 1.590 0 50 GDAA COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)ccn1 67433827 NAIUCDSATQTKKG-OAHLLOKOSA-N 379.420 1.984 0 50 GDAA CCOc1ccc(CN2CCN(c3nc(C(N)=O)cs3)C[C@H]2CCO)cc1 106967125 ALXINNDNKWDNBV-OAHLLOKOSA-N 390.509 1.714 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H](N)[C@@H](C)O)CC1 67946385 GPAJGWJRBNSMIV-APWZRJJASA-N 383.496 1.041 0 50 GDAA O=S(=O)(NCc1nnc2n1CCN(Cc1ccccc1)CC2)c1ccccc1 20992813 AAQBMDWOHDFHJU-UHFFFAOYSA-N 397.504 1.815 0 50 GDAA O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nnc(C2CC2)s1 65421039 DCRHIVJPHICVQT-CYBMUJFWSA-N 379.486 1.067 0 50 GDAA O[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[C@H]1N1CCOCC1 20539917 JVBNZVYPQXGHSC-RTBURBONSA-N 376.888 1.793 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC(N(C)C)CC3)C2=O)c1 67818610 NSAFWUHBAPQEDN-OAQYLSRUSA-N 393.503 1.714 0 50 GDAA CCc1nn(C)c(OC)c1CNC[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C 328641435 XWGRDLDBILZYBO-IFXJQAMLSA-N 388.516 1.651 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccccc2Br)C1 328640734 QCUOUXZPFAPWFQ-LBPRGKRZSA-N 390.285 2.168 0 50 GDAA CC(C)CCc1noc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)n1 431273659 CMFBYNABOLHLJW-CYBMUJFWSA-N 375.433 1.494 0 50 GDAA C[C@H]1CNCCN1C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 126136642 CMIPKVMAOSLJSY-RYUDHWBXSA-N 389.315 1.679 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC1(CO)CCC1)CO2 71708172 UJMRLPNCMRYULV-HNNXBMFYSA-N 375.469 1.255 0 50 GDAA O=C(c1ccccc1Cl)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72117573 NXQAMCINTCSMLD-UHFFFAOYSA-N 387.871 1.929 0 50 GDAA COc1ccc2cc([C@H]3CN(C(=O)CCCS(N)(=O)=O)CCO3)ccc2c1 71753230 ZFPAMUVPUQVYEL-GOSISDBHSA-N 392.477 1.817 0 50 GDAA NC(=O)[C@@H]1CC(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)=NN1c1ccccc1 363408814 VMEIEKYRMSNLEE-WBVHZDCISA-N 382.424 1.121 0 50 GDAA C[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)N1CCC(Cc2ccccc2)CC1 363516701 BCFWXNCBEHQYOV-SFHVURJKSA-N 386.540 1.349 0 50 GDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 155854230 YDTKZUUHBSNRMF-JSGCOSHPSA-N 380.474 1.373 0 50 GDAA COc1cc(Cl)cc2cc(C(=O)N3CCNC[C@@H]3C(=O)NC3CC3)oc12 72169579 UGTWSRZINJHEDM-CYBMUJFWSA-N 377.828 1.787 0 50 GDAA O=C(CSCC1CC1)N1C[C@@H]2CN(Cc3ccncc3)C[C@]2(C(=O)O)C1 215486296 MJJYEXOGEIZBAO-LPHOPBHVSA-N 375.494 1.570 0 50 GDAA CCN1CCN(CCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1 77453169 QOOMIDKQQCGKKJ-UHFFFAOYSA-N 378.517 1.237 0 50 GDAA O=C(NCc1ccncn1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71765597 ZXBGMVUUWQWOSC-IBGZPJMESA-N 394.523 1.864 0 50 GDAA Cc1ncc2n1CC[C@@H](C(=O)N1CCN(C(=O)c3ccc4c(c3)OCO4)CC1)C2 289382502 CJQCVTJCZIRDIJ-MRXNPFEDSA-N 396.447 1.467 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 178267857 BTOQVMMYWZBETR-VIFPVBQESA-N 380.198 1.092 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)NCc4nc(N)n[nH]4)csc3C2)nc1 426526012 IHAARHOKLSDOIA-UHFFFAOYSA-N 397.508 1.894 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)o1 95504689 YAOLAQDRDWXGAG-QGZVFWFLSA-N 376.453 1.876 0 50 GDAA CC1(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)CCNCC1 92066572 SBHOZAMDWNUDAZ-NRFANRHFSA-N 387.528 1.573 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN([C@H](C)CN3CCOCC3)CC2)c(C)s1 180480850 DYXXEQCRADQVSP-CQSZACIVSA-N 387.571 1.392 0 50 GDAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCN(c2ncc[nH]c2=O)CC1 95503852 HSXRMIYZZQSPOB-UHFFFAOYSA-N 385.424 1.725 0 50 GDAA Cn1c(Cn2cccn2)nnc1C1CCN(CC(=O)NCc2ccco2)CC1 96149770 PEQCTGWZOCBKJB-UHFFFAOYSA-N 383.456 1.149 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C[C@H]2CCCO)CC1 92098077 BFYKGYUTTDUDJS-CTNGQTDRSA-N 388.556 1.603 0 50 GDAA COc1cccc([C@H]2CN(C(=O)c3ccc(Cn4cnnn4)cc3)C[C@@H]2N)c1 91445101 STFPACMUJJACET-MOPGFXCFSA-N 378.436 1.297 0 50 GDAA CCN1CCC[C@H](CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)C1 95512092 MMSSEUILCONQPO-KRWDZBQOSA-N 389.544 1.464 0 50 GDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1 95500082 KQINCKSSNZTYCO-UHFFFAOYSA-N 388.520 1.336 0 50 GDAA COC(=O)[C@@H](CCSC)NC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 252540170 OUWIISNUKFREFG-UONOGXRCSA-N 393.465 1.578 0 50 GDAA CCCc1cc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3CCO)cc2)nc(C)n1 534644167 DYYGWAYMYXHMFT-IBGZPJMESA-N 382.464 1.728 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 67756145 RLAYFUGGECZLEZ-BEFAXECRSA-N 377.448 1.622 0 50 GDAA COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O 269031619 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Cc1cc(O)nc(N2CC[C@@H](NC(=O)[C@H](O)c3ccccc3C(F)(F)F)C2)n1 1348176451 LCOVYBXSNYMEPS-IAQYHMDHSA-N 396.369 1.938 0 50 GDAA Cc1nc(N)nc(C)c1CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565516579 ZSQYSSRFWCTDJL-GJZGRUSLSA-N 377.470 1.165 0 50 GDAA Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1ccc2ncsc2c1)C(=O)O 275077250 MMLUDIYMQBGPSO-AWEZNQCLSA-N 380.451 1.751 0 50 GDAA O=C(O)CN1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 275331970 UGQFNPSIHLCANO-UHFFFAOYSA-N 382.360 1.413 0 50 GDAA CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCN(CC(F)(F)F)C3=O)c2c1 302904760 SDUBVOHARLXJTO-GFCCVEGCSA-N 388.371 1.608 0 50 GDAA COc1cccc([C@H]2CCN(c3nc4c(c(O)nc(=O)n4C)n3C)C2)c1OC 1529191354 XFBHBBCZCKPFAZ-NSHDSACASA-N 385.424 1.384 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCCc1nn[nH]n1)C2 1772812048 GVYOSCOZASVLAY-LLVKDONJSA-N 387.469 1.782 0 50 GDAA CCn1ccc(C(=O)N2CCCN(C(=O)CCn3ccc(C)n3)CC2)cc1=O 1772702521 SZWGEQRHIUMRRZ-UHFFFAOYSA-N 385.468 1.138 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)n1 12094161 YNBKAJNFCGQUMZ-GOSISDBHSA-N 376.501 1.814 0 50 GDAA CCCS(=O)(=O)c1ncc(CN2CCC(CO)CC2)n1C[C@@H]1CCCO1 12317804 GHKXACKEVWXVOI-KRWDZBQOSA-N 385.530 1.450 0 50 GDAA C[C@H]1CCCN(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)C1 13667883 ALXHJOIWNDZCDG-KBPBESRZSA-N 382.482 1.871 0 50 GDAA O=C(NCCN1CCOC1=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 14977600 UTJFFTQNVAKKMQ-HNNXBMFYSA-N 393.871 1.690 0 50 GDAA N=c1[nH]c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cccc(-n4cccn4)c3)C2)cs1 1857689856 MQCRFUGCCXHMCV-KGLIPLIRSA-N 396.476 1.822 0 50 GDAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)N2CCC3(CCCCO3)CC2)C1 1857702892 STKMZBGPXHTOAY-LPHOPBHVSA-N 399.557 1.094 0 50 GDAA Cc1cc(F)ccc1N1CCC(N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)CC1 1857730672 YNSYJEKEEBGXTE-SXLOBPIMSA-N 395.544 1.762 0 50 GDAA CNc1ncccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857736147 NEJUNSAVLHOWHR-OALUTQOASA-N 398.511 1.925 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1 8048345 XPXAKTXVKYKCTL-UHFFFAOYSA-N 379.482 1.212 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCO[C@@H](c4nn[nH]n4)C3)c2)o1 2100541089 VJXCYQYWOMVPMV-CQSZACIVSA-N 390.425 1.234 0 50 GDAA COc1cccc(N2C(=O)CN(C(=O)[C@H](CCSC)NC(C)=O)C[C@H]2C)c1 11815973 NLSXPLRIDQFICL-DYVFJYSZSA-N 393.509 1.517 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cccc2sncc12 2325875060 FJSSOBVOMNQGOC-GCULGPDHSA-N 394.474 1.837 0 50 GDAA COc1ccc(Cl)cc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 877234 VORSQDMTGVTUGW-UHFFFAOYSA-N 383.857 1.826 0 50 GDAA O=C(NCc1nnc(S)n1C1CC1)c1cc(I)c[nH]1 115371160 JJSGLYMGQHWCPR-UHFFFAOYSA-N 389.222 1.764 0 50 GDAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)Cc1c[nH]c(=O)n(C)c1=O 55243048 VXRJIBVRFKJAHM-UHFFFAOYSA-N 387.827 1.461 0 50 GDAA CCCCN(C)S(=O)(=O)N(c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 247973755 IEFZUAOMPHEBEF-HNNXBMFYSA-N 390.527 1.665 0 50 GDAA O=C(Nc1nnc(Cc2ccccc2)[nH]1)N1CCCN(c2ncccn2)CC1 20661328 BWUMIBCCCVEMQE-UHFFFAOYSA-N 378.440 1.930 0 50 GDAA Cc1ccccc1-c1cn2c(C(=O)NCCc3c[nH]c(=O)[nH]c3=O)csc2n1 67872815 JDQXIMWMHILMOV-UHFFFAOYSA-N 395.444 1.720 0 50 GDAA CC(C)C(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)cc2C1 77375801 VAVCIVGGLAEPLM-QGZVFWFLSA-N 379.526 1.552 0 50 GDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1ccc(C(N)=O)cn1)CC2 262857519 UWWXFCQGPNFMII-HNNXBMFYSA-N 399.403 1.412 0 50 GDAA CC(C)N1CCN(CCN2CC3(CCN([C@@H]4CCCOC4)CC3)OC2=O)CC1 72407312 SIZYTKDMYZANQJ-LJQANCHMSA-N 394.560 1.478 0 50 GDAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(c2nc3ccccc3s2)CC1 72481382 UASBBQAKNKKMCB-CYBMUJFWSA-N 379.507 1.770 0 50 GDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3ncccc3c1)C2 221217757 SRJMYCZVRVPYBW-FQEVSTJZSA-N 379.464 1.959 0 50 GDAA CCO[C@H]1CN(Cc2ccccc2OCC(=O)N2CCC(C)CC2)C[C@@H]1O 222478636 KGGOVFOVHJEGMZ-ICSRJNTNSA-N 376.497 1.906 0 50 GDAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)n1 426510517 XBCWGCDCLPFVLU-HNNXBMFYSA-N 376.457 1.466 0 50 GDAA COC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(F)c1 180183979 MKWYETKEVFVRCD-QGZVFWFLSA-N 396.415 1.917 0 50 GDAA COc1ccccc1CCN1CCC[C@H](CN(C)S(=O)(=O)c2cn[nH]c2)C1 95510689 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Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244701053 JZENGTPMKYLPGU-AHIWAGSCSA-N 375.450 1.279 0 50 GDAA COc1ccc(-c2noc([C@H](C)NC(=O)N3CCS(=O)(=O)CC3)n2)cc1 534586231 MYGBKXLDPQNBAP-NSHDSACASA-N 380.426 1.246 0 50 GDAA COc1ccccc1N1C[C@@H](C(=O)N=c2cc3nc(C)cc(C)n3[nH]2)CC1=O 1940195170 HGFZVRYBTXQJSX-AWEZNQCLSA-N 379.420 1.768 0 50 GDAA NC(=O)COc1ccc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)cc1 826838215 ULPGEZNXKQGKRF-UHFFFAOYSA-N 378.454 1.021 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 824596676 JJVPCOFTPMIANT-GOSISDBHSA-N 395.423 1.078 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)c(C)n1 871462183 PFILDOLTNBNAIM-KRWDZBQOSA-N 382.464 1.981 0 50 GDAA Cn1nncc1CC(=O)N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402237 CSNRRYDZPPYPNR-ZTFGCOKTSA-N 380.452 1.177 0 50 GDAA CN(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[C@@]1(CN)CCOC1 1875292847 UZFWNWICNVVWCW-LJQANCHMSA-N 376.407 1.829 0 50 GDAA O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1-n1cncn1 1875254752 VHSRYSUBLWLAQJ-UHFFFAOYSA-N 398.448 1.699 0 50 GDAA CC(C)c1ncc(Br)c(=NC[C@@H]2C[C@@H](c3nncn3C)C[C@@H]2O)[nH]1 1875392838 WJEOMNAMYADJTI-MDZLAQPJSA-N 395.305 1.880 0 50 GDAA CC(C)c1noc(C2CCN(C(=O)C[C@H]3C(=O)NCCN3C(C)C)CC2)n1 952987083 JEUPYYOBKBJVKY-HNNXBMFYSA-N 377.489 1.498 0 50 GDAA CCCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)c(C)n1 952970914 FVTOHVLRYRKKSZ-UHFFFAOYSA-N 384.889 1.963 0 50 GDAA Cn1ncc(C(=O)N[C@]2(c3ccc(S(C)(=O)=O)cc3)CCOC2)c1C(F)F 888100858 CYEXWZGAYDYSTN-QGZVFWFLSA-N 399.419 1.807 0 50 GDAA Cc1nc(-c2ccccc2NC(=O)CCc2nc(O)c3cnn(C)c3n2)no1 1337447121 UZXSCZTYCRIEGF-UHFFFAOYSA-N 379.380 1.999 0 50 GDAA Cc1c(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)c(=O)oc2ccccc12 277641077 XASJFHSDZIWRAB-LBPRGKRZSA-N 380.404 1.389 0 50 GDAA CSc1ncc(Cl)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 1067275 RWAGYIUKOQARIR-UHFFFAOYSA-N 386.886 1.472 0 50 GDAA C[C@H]1CNCCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 193358209 MCGYJZMRRKCKRQ-VIFPVBQESA-N 377.260 1.203 0 50 GDAA CC1(C)CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCS1(=O)=O 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YXMWGVQCJNARLR-UHFFFAOYSA-N 386.496 1.462 0 50 GDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H]1NCCc2ccccc21 262413966 QXWBHPHKIHTEHK-WOJBJXKFSA-N 376.464 1.769 0 50 GDAA CCc1c(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cnn1C(C)(C)C 266053666 GPCZBNNRRVZKAT-UHFFFAOYSA-N 388.472 1.508 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1OC 1704297692 CSTSXELYLBHCEX-WMZOPIPTSA-N 399.465 1.330 0 50 GDAA CCOC(=O)C1(CNC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CCCC1 822396830 NSLDUCHRPRZHGG-GHMZBOCLSA-N 385.404 1.449 0 50 GDAA CCS(=O)(=O)N[C@@H]1C[C@@H](C(=O)N2CCc3ncccc3C2)CC[C@H]1OC 2100483393 QUIJQHQGCYIQMX-IAOVAPTHSA-N 381.498 1.089 0 50 GDAA C[C@@H](NC(=O)c1nccnc1C(=O)N1CCOCC1)c1ccc2ccn(C)c2c1 2325796977 NKUOKZFZXLSPKF-CQSZACIVSA-N 393.447 1.932 0 50 GDAA COC(=O)CC1CCN(S(=O)(=O)N2CCC(c3cnn(C)c3)CC2)CC1 2325803609 QKNWDSWLVRSVMK-UHFFFAOYSA-N 384.502 1.119 0 50 GDAA COc1ccc(-c2nnc(CCN(C)S(C)(=O)=O)o2)cc1Br 2325807065 XRPNMPFXOJNWMW-UHFFFAOYSA-N 390.259 1.942 0 50 GDAA Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)s1 2325886577 BAPKIMZZSJVXLQ-MRXNPFEDSA-N 397.456 1.748 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(Br)c1 876990 HZEPNOYAWODFQZ-UHFFFAOYSA-N 398.282 1.927 0 50 GDAA CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1 2441210 YYTKVMNEQXYNND-UHFFFAOYSA-N 381.436 1.590 0 50 GDAA COCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 4756944 NFYXICIFBIDKIZ-UHFFFAOYSA-N 391.449 1.687 0 50 GDAA O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2nccn2C(F)F)CC1 225515244 HGYIBVQMCBOYFE-UHFFFAOYSA-N 396.423 1.661 0 50 GDAA CCOC(=O)c1nc(NC(=O)N2CCN(C(=O)OCC)CC2)sc1C(C)=O 225521897 OKGXANHQZVARHI-UHFFFAOYSA-N 398.441 1.828 0 50 GDAA COc1ccc(Br)cc1COC(=O)CCCC(CO)(CO)CO 225617913 XDLQJSAQXGXLDA-UHFFFAOYSA-N 391.258 1.635 0 50 GDAA Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)cc1F 225800861 QCCZGVXCOMUMRI-MRXNPFEDSA-N 399.470 1.912 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1 67612764 KUCSEDLDAFCEHS-GDBMZVCRSA-N 395.525 1.923 0 50 GDAA O=C(CN1CCn2c(nnc2C(F)(F)F)C1)NCc1ccc2c(c1)OCO2 150923048 SZLONEZCCXDGGT-UHFFFAOYSA-N 383.330 1.158 0 50 GDAA COc1ccc2cc([C@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)ccc2c1 1506405732 BPYCNVKOTVMCIQ-HXUWFJFHSA-N 385.464 1.680 0 50 GDAA Cc1cc(NC(=O)Cn2cc(-c3cc(-c4nc(C)no4)ccn3)cn2)n(C)n1 63869825 ALPMTXHFOZOIIU-UHFFFAOYSA-N 378.396 1.984 0 50 GDAA CCN(CC)C1=NC(=O)C2(CCN([C@H]3CCC(=O)N(CC4CC4)CC3)CC2)N1 63868768 GCABWYMCTFUWRY-KRWDZBQOSA-N 389.544 1.440 0 50 GDAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 1400906 ZZZXEEORJJJIKZ-UHFFFAOYSA-N 378.425 1.880 0 50 GDAA CN(Cc1cc2n(n1)CCCN(CC(=O)O)C2)Cc1nc2ccc(F)cc2[nH]1 72170581 DJCBLVLYITVLNI-UHFFFAOYSA-N 386.431 1.821 0 50 GDAA O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@H](N2CCCC2=O)C1 330067376 FMHGUROGWMCEFZ-KBPBESRZSA-N 377.391 1.541 0 50 GDAA C[C@H](C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1cnc2ccccc21 77340798 ZHHLWIZPLSFLIL-OAHLLOKOSA-N 394.479 1.724 0 50 GDAA O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48159207 WNGJOTAATABJKP-ZDUSSCGKSA-N 394.431 1.701 0 50 GDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccnc2)cc(OC)c1 20515605 BCVXGWVZXBZISV-LJQANCHMSA-N 398.463 1.106 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CN1Cc1ccccn1 130979982 NJOHUKROGLFJNT-GOSISDBHSA-N 394.475 1.480 0 50 GDAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1csc(-c2cnccn2)n1 426581309 RBPCTMYZXRVLJX-ZDUSSCGKSA-N 383.481 1.580 0 50 GDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 426395104 BHMVZLJGCOKODF-KRWDZBQOSA-N 385.512 1.857 0 50 GDAA O=C(NCCCN1CCC[C@@H](O)C1)N1CCCN(Cc2cccs2)CC1 426522915 NOLOZMCWJGOFOV-QGZVFWFLSA-N 380.558 1.812 0 50 GDAA Cc1nnnn1[C@H](C(=O)NCCc1noc(C(F)(F)F)n1)c1ccccc1 426690313 ONUYYSXPJTZVAN-LBPRGKRZSA-N 381.318 1.332 0 50 GDAA Cc1cc(C)nc(N2CCN(C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)n1 96163338 JNOGQBITBFGARW-UHFFFAOYSA-N 389.481 1.851 0 50 GDAA O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCC(N2CCOC2=O)CC1 95519164 BZVWNWSQXIMVRA-KRWDZBQOSA-N 385.464 1.521 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4cc(O)n[nH]4)C3)CCC2=O)cn1 92004589 AXZZTOSHMJUHPS-LJQANCHMSA-N 384.440 1.259 0 50 GDAA CN(C)S(=O)(=O)CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91779440 QHKZIILVYBDCBT-SFHVURJKSA-N 382.482 1.478 0 50 GDAA CC(C)SCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91350986 XLQIVJQGTCURIF-UHFFFAOYSA-N 386.543 1.187 0 50 GDAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCN(c4cnccn4)C[C@H]3O)[nH]n2)cc1 244724652 MYCJZUIDYISISF-CRAIPNDOSA-N 378.436 1.545 0 50 GDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 245327330 OKYSIZYDYPWQLS-HXSDUIHRSA-N 391.855 1.240 0 50 GDAA CNC(=O)[C@@H]1CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 183539034 BOSJXDXLNPDLQF-ZDUSSCGKSA-N 378.816 1.296 0 50 GDAA COCCn1c(CN2CCN3CCC[C@H]3C2)cnc1S(=O)(=O)CCC(C)C 257372061 IYSIUHNTYYUQEQ-KRWDZBQOSA-N 398.573 1.629 0 50 GDAA O=C(CN1CCOCC2(CCOCC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 184095869 ZXSYQRXFAJGOBS-LJQANCHMSA-N 392.471 1.855 0 50 GDAA Cc1cccc2[nH]nc(-c3ccc(C(=O)N4CCNC(=O)[C@@H]4CCO)cc3)c12 534652965 AKQUHJBACKJFNR-KRWDZBQOSA-N 378.432 1.861 0 50 GDAA O=C(CCc1ccccc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299772295 XPYGYGGQXGMBKZ-OAQYLSRUSA-N 399.535 1.980 0 50 GDAA O=C(O)COc1ccc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1 299779451 RWBNXLPZQQVZLJ-NFBUACBFSA-N 377.437 1.138 0 50 GDAA COCC(=O)N1CC[C@@H](NC(=O)c2cc(C)nc3cc(F)ccc23)[C@H](O)C1 299786489 MELGBCSNHOORML-NVXWUHKLSA-N 375.400 1.020 0 50 GDAA O=C1C[C@@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C2(CCCC2)O1 828244532 KHSWARGWFOANQO-UABBMWSGSA-N 385.468 1.713 0 50 GDAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H](N)[C@H]2CCc3ccccc32)CC1 1875287486 LVNITJXWJUOJNN-FXAWDEMLSA-N 396.466 1.631 0 50 GDAA Cc1ccc(-n2nc(C(=O)N3CCc4c(cnn4C)[C@H]3C(N)=O)cc2C)cc1 1875396219 ZDVNQUPNPCSAJK-SFHVURJKSA-N 378.436 1.448 0 50 GDAA CC[C@H]1CC[C@H](C(=O)NCC2(O)CN(CC[C@@H]3CCS(=O)(=O)C3)C2)CC1 1875341641 ANVADKNWSKXSQC-BRWVUGGUSA-N 386.558 1.191 0 50 GDAA COCCN1CC[C@H](CN(C)S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)C1 952980341 PEHUOGYLDHDDNL-OAHLLOKOSA-N 396.513 1.875 0 50 GDAA COCCc1noc([C@H]2CCCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C2)n1 952990810 ZJPOKQJEPIIEJS-HNNXBMFYSA-N 389.456 1.681 0 50 GDAA O=C(Cn1nc2c(cc1=O)CCCCC2)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088405 WPIBHQIELKKTPY-IEZWGBDMSA-N 398.507 1.372 0 50 GDAA CN(CCSc1ccccc1)C(=O)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 1565525776 YCIPCVFXSRBVHH-IRXDYDNUSA-N 391.537 1.322 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)n(C)n1 277982360 NSWAJSQXQPLWIM-SJORKVTESA-N 383.500 1.670 0 50 GDAA CCC(=O)N1CC[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 170595691 NGFYCLZYGIGNHO-MRVPVSSYSA-N 394.266 1.658 0 50 GDAA O=C(CCc1ccncn1)N1CCC(NS(=O)(=O)c2cccs2)CC1 192308262 GWMRCLYNPWTKOF-UHFFFAOYSA-N 380.495 1.440 0 50 GDAA Cn1cnnc1C1CCN(CC(=O)Nc2nnc([C@H]3CCCO3)s2)CC1 1506415271 VUDADKJAKQYROT-GFCCVEGCSA-N 377.474 1.336 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNc2nccc(N3CC[C@H](O)C3)n2)cc1 1529161364 GIJPJBKTYVNQRL-HNNXBMFYSA-N 391.497 1.137 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H]2CCCNC2=O)ccc1F 1704337755 YYJJSTFFDORJHD-GFCCVEGCSA-N 376.388 1.564 0 50 GDAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H]1CCNC[C@H]1O 1704336614 ZBNHAUKICBLACN-ZIAGYGMSSA-N 394.859 1.506 0 50 GDAA COCCc1noc(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 1772707386 ZFHZPGAVMIJDAJ-UHFFFAOYSA-N 388.424 1.335 0 50 GDAA COc1ccc(OC)c(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c1 16266403 LSKVWKUNJKCSLR-WJDWOHSUSA-N 393.424 1.743 0 50 GDAA NC(=O)NCCC[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)O 206414276 BBXDWIWXOOCXGR-ZDUSSCGKSA-N 380.832 1.703 0 50 GDAA COc1cc(NC2CCN(C(=O)[C@H]3NCCc4c3cnn4C)CC2)cc(OC)c1 1857527912 FISGQAGMFPRDRT-FQEVSTJZSA-N 399.495 1.727 0 50 GDAA CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCc3c2c(C)nn3C)CC1 1857697232 LICKAKMZFYHVGI-AWEZNQCLSA-N 384.502 1.215 0 50 GDAA O=C(CCn1ccccc1=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857709323 RERCHUKJYQBDEE-HMFYCAOWSA-N 393.443 1.539 0 50 GDAA CCc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](CNC(C)=O)[C@H]4CC[C@]3(C2)O4)cc1 1857734854 VPAKQIYUPZHFQN-WJFTUGDTSA-N 378.494 1.553 0 50 GDAA COc1ccc(N2C(=O)[C@@H]3NN=C(C(=O)OCc4ccccc4)[C@@H]3C2=O)cc1 811033 BZILHKWBVUWUJV-HZPDHXFCSA-N 379.372 1.256 0 50 GDAA CCOCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nccn1C)C[C@H]2O 2100547844 OQLPUTYWIDIMMU-MCEIDBOGSA-N 398.507 1.149 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 11566054 JKCRBRSTPXNSMC-UHFFFAOYSA-N 378.244 1.943 0 50 GDAA Cc1cc(C)c2cccnc2c1S(=O)(=O)N1CC(=O)N2CCOC[C@@H]2C1 2325783776 AEXBJULZBHHMJF-AWEZNQCLSA-N 375.450 1.083 0 50 GDAA CN1CC[C@H](C(=O)N2CCC(C3CN(C(=O)c4coc5c4COC5)C3)CC2)C1 2325870510 AIAFNXZCQLOYRI-HNNXBMFYSA-N 387.480 1.572 0 50 GDAA C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)[C@@H]1C 2325887760 WMSIRNHJJWVUBG-PBFPGSCMSA-N 383.448 1.708 0 50 GDAA CC(C)C(NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O)C(C)C 2325898255 YKBWIYQFDJTBMJ-OAHLLOKOSA-N 399.447 1.498 0 50 GDAA CC[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC(C)(C)c1cccc(F)c1 2332237975 SJPMUAGOVORXCH-DAXOMENPSA-N 398.500 1.753 0 50 GDAA O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCOCC2)CC1 816514 BTSDWVWJIZGMFX-UHFFFAOYSA-N 382.258 1.659 0 50 GDAA CCOC(=O)c1sc(NC(=O)c2nc3ncccn3n2)c(C(=O)OC)c1C 2808270 MTNDVCNEIIJXQO-UHFFFAOYSA-N 389.393 1.710 0 50 GDAA COC(=O)c1ccc(C(=O)OC)c(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 4179375 HBBJITRDRCUSRV-UHFFFAOYSA-N 383.312 1.759 0 50 GDAA O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 4858707 UGCFSHPMKULSAD-UHFFFAOYSA-N 388.371 1.886 0 50 GDAA Cn1c(=O)c2c(nc(NCCCCO)n2Cc2ccccc2Cl)n(C)c1=O 13739026 BVJZQCVCLFFACU-UHFFFAOYSA-N 391.859 1.320 0 50 GDAA Cc1cccc(C(=O)N2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c1 14959040 DPRAWYDFPOJRQQ-UHFFFAOYSA-N 384.484 1.183 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCC2CCOCC2)o1 14969836 WVGINKDTTZSQLE-SFHVURJKSA-N 377.485 1.554 0 50 GDAA COCC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 43730188 RRYHWCNCTBXELM-UHFFFAOYSA-N 382.424 1.897 0 50 GDAA Cc1cc(N2CCN(C(=O)c3snnc3C)CC2)nc(N2CCCCC2)n1 65362397 TWJANWSTCLBUTO-UHFFFAOYSA-N 387.513 1.898 0 50 GDAA CC(C)CC(=O)C(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 67784633 AHDDTFXTXUZBRB-UHFFFAOYSA-N 382.420 1.036 0 50 GDAA Cn1c(C(=O)N2CCNC[C@H]2C(=O)NCc2ccncc2)cc2ccccc21 72168008 WUPSRJYDOOMPQA-IBGZPJMESA-N 377.448 1.304 0 50 GDAA CN(C)CCN1Cc2c(C(=O)NCc3ccc4c(c3)OCO4)cccc2C1=O 72409340 VEEHOJFEOLOJKM-UHFFFAOYSA-N 381.432 1.863 0 50 GDAA CNC(=O)[C@@H]1CN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CCO1 72476721 BGQTYWNPPWYGAZ-SFHVURJKSA-N 378.436 1.340 0 50 GDAA O=C(CCn1c(CO)nc2ccccc21)N1CCN(c2ccccc2)C(=O)C1 82135850 ZEQYJYZWLYDXOO-UHFFFAOYSA-N 378.432 1.794 0 50 GDAA CS(=O)(=O)CCC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91587030 QAWURXWVKXOCCO-UHFFFAOYSA-N 393.509 1.248 0 50 GDAA Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c(=O)[nH]1 95360385 LCWBTQZIMILXPH-GOEBONIOSA-N 387.509 1.509 0 50 GDAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 95373249 VXSZHDSKBNCVCE-MRXNPFEDSA-N 380.452 1.714 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnn(C(C)C)c1)CC2 95497959 PCYLDEFTQZISBC-UHFFFAOYSA-N 386.500 1.710 0 50 GDAA CCc1nc(C[C@H]2CN(C(=O)CN3C(=O)CCc4ccccc43)CCO2)no1 95501222 CJUWEABLRYXJJD-HNNXBMFYSA-N 384.436 1.381 0 50 GDAA CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1ccnc1C)CC2 95519193 CYVOWKTXXAHJFL-AWEZNQCLSA-N 384.484 1.788 0 50 GDAA O=C(c1c[nH]c2ncnn2c1=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 101954034 BJTMSNWZGGHDQA-GFCCVEGCSA-N 377.408 1.389 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2c[nH]c3ncnn3c2=O)CC1(C)C 102483585 BUUCPOASQTXWIR-UHFFFAOYSA-N 382.424 1.167 0 50 GDAA CN(C)C(=O)C1(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCCC1 113119798 ZGHQSMVVBGJNRH-SFHVURJKSA-N 385.508 1.985 0 50 GDAA NC(=O)CNC(=O)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 169759710 HCALMUQRYRAEJS-ZDUSSCGKSA-N 379.214 1.132 0 50 GDAA O=C(NCc1ccccc1OCCO)N1CCN(c2cc(C3CC3)n[nH]2)CC1 187249901 IJYDEAQTTHCSKA-UHFFFAOYSA-N 385.468 1.690 0 50 GDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 189961460 CGDXXQLZJJRKBT-FQEVSTJZSA-N 393.491 1.909 0 50 GDAA Cc1cc(C[C@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1 215312322 NOZXGBWOPDTERC-AWEZNQCLSA-N 376.482 1.864 0 50 GDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)CCOc1ccccc1)C2 219270169 VYVRLIQSLBBZLK-FQEVSTJZSA-N 381.436 1.510 0 50 GDAA CCc1nc(C)sc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 223391097 OASJCDJUYBGKHN-INIZCTEOSA-N 377.514 1.738 0 50 GDAA Cc1cc(CNC(=O)N2CCC(c3ccnn3CCO)CC2)nc(N(C)C)n1 242197047 XHJHUHZMNYBPAF-UHFFFAOYSA-N 387.488 1.129 0 50 GDAA Cc1ccc2c(c1)N(CC(=O)N1CCCN(c3ncccn3)CC1)C(=O)CO2 244724128 MOBUBEPXPIUJNE-UHFFFAOYSA-N 381.436 1.249 0 50 GDAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 247746693 QHPUUEBBDZFKOK-XYPHTWIQSA-N 391.493 1.621 0 50 GDAA CN(CCN1CCOCC1)C(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC=O 253404474 LJKGKFCTWLYJOS-INIZCTEOSA-N 388.295 1.441 0 50 GDAA C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1 275990352 OUOACUVKJILMDE-HOTGVXAUSA-N 399.499 1.239 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2ccnn2-c2ccccc2)C1 299755278 FJVUZVHBIDJELA-CQSZACIVSA-N 377.470 1.665 0 50 GDAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H](Nc4ncccn4)[C@H](O)C3)[nH]n2)s1 299769183 LCDNDMQNYIWEOO-IUODEOHRSA-N 384.465 1.924 0 50 GDAA Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CC(N4CCN=C4O)C3)c2)cc1 328592091 ZILWGUSGOQNJLH-UHFFFAOYSA-N 388.449 1.088 0 50 GDAA C[C@H](NC(=O)N(C)C1CCS(=O)(=O)CC1)c1nc(-c2ccccn2)no1 426371049 NLBOOMVMXHZDRM-NSHDSACASA-N 379.442 1.411 0 50 GDAA Nc1nc(N2CCC[C@H](CNC(=O)c3ccc(Cl)cn3)C2)cc2nncn12 952981400 WNOUNOXBUGHWCL-LLVKDONJSA-N 386.847 1.401 0 50 GDAA Cn1nccc1C(=O)NC[C@H]1CCCN(C(=O)CN2CCc3ccccc3C2)C1 952984513 WYCDBGJVLAZCTC-QGZVFWFLSA-N 395.507 1.447 0 50 GDAA COc1ccc2c(c1)C=C(CN1CCC3(CC1)OCC[C@@](C)(O)[C@@H]3O)CO2 1704305814 RMVGNVHTSNEGIM-VQTJNVASSA-N 375.465 1.838 0 50 GDAA Cc1ccc2cc1OCCn1cc(nn1)CCCC(=O)N1CCN(CC1)C2=O 1704322920 SAQQTUUKNMXMOB-UHFFFAOYSA-N 383.452 1.286 0 50 GDAA O=C(N[C@@H]1CN(C(=O)CCc2n[nH]c3c2CCCC3)CC[C@@H]1O)c1ccccn1 1857679102 WXOBWEKQTZQDIF-MOPGFXCFSA-N 397.479 1.008 0 50 GDAA Cc1cc(C)nc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(O)cc2)n1 1857687983 ODLYBEDDJZKJHX-OALUTQOASA-N 394.475 1.786 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3nnnn3-c3ccccc3)C1)CC2 1857709644 KBSQRQJEHWYSCL-HXUWFJFHSA-N 392.467 1.708 0 50 GDAA CCCCOc1ccccc1C(=O)N1CCO[C@H](c2nnn(CCOC)n2)C1 1857718913 ZOCOWQDZGNXYJX-KRWDZBQOSA-N 389.456 1.712 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnn(C)c3)CC(=O)N2[C@H]1c1ccccc1 1857735723 IAQZAERBLGCCMV-BQFCYCMXSA-N 382.420 1.007 0 50 GDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(CCOc3ccc(F)cc3)C[C@]23CC[C@H]1O3 1857737611 VFFGRMQPTVGFLW-WJFTUGDTSA-N 398.500 1.623 0 50 GDAA Cc1cc(N)n(CC(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)n1 1857738264 ZJAOBZPGDSECRG-YRNRMSPPSA-N 381.436 1.075 0 50 GDAA C[C@@H]1C(=O)N=C(CCNC(=O)c2cccnc2OCc2ccccc2F)NC1=O 1875262859 JJTSGPVSEOTELU-UHFFFAOYSA-N 398.394 1.611 0 50 GDAA CCn1cnc2c(N(C)[C@@H]3CCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncnc21 1875357943 CGLAAQSEBTVVTI-CYBMUJFWSA-N 394.483 1.799 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)c2cnn3c(C)cc(C)nc23)C1 1875389652 WWFCLAZAYFVDHK-UHFFFAOYSA-N 380.408 1.376 0 50 GDAA COc1cccc(OC)c1CC(=O)N1C[C@H]2C[C@H]1[C@H]2c1ocnc1C(=O)N(C)C 1875394492 KEILNCSLMDYURQ-IAISJRAMSA-N 399.447 1.951 0 50 GDAA CCN(C)C(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)C1 1940196029 FBYGYYLZMWXOIP-QEJZJMRPSA-N 396.871 1.388 0 50 GDAA CCCOCCCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2c(O)cccc2O)C1 2100483078 PXUYCTZBUMGICO-RRFJBIMHSA-N 394.468 1.290 0 50 GDAA COC[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)C2 2100555035 KOCLDARBUJDKED-GTNSWQLSSA-N 387.263 1.845 0 50 GDAA CN(C)c1ccc(C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)O)nn1 2325775242 MOVJXJQYXPFMAW-ZDUSSCGKSA-N 393.241 1.731 0 50 GDAA CN1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(F)cc3ccoc23)NC1=O 2325793679 DDSIYXIQBWDMBZ-HNNXBMFYSA-N 390.415 1.516 0 50 GDAA CC(C)(O)c1cn(Cc2ccc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2)nn1 2325869353 KLGDUFNOWOUDHJ-MRXNPFEDSA-N 380.452 1.564 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(n3cnnc3)CC2)[C@H]1c1ccccc1 2356149733 UECIUYWLQNESQX-UXHICEINSA-N 397.479 1.819 0 50 GDAA COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC 1110685 OTIQSEUOOIVQMS-UHFFFAOYSA-N 393.465 1.955 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1 2647652 FTEMFAPWAGSRTN-UHFFFAOYSA-N 394.478 1.248 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(Cc3ccccc3F)c2)C1 2808074 RPSJGZRCWXQHJU-AWEZNQCLSA-N 380.445 1.681 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 11878447 FVODLEBGCLEROU-OAQYLSRUSA-N 398.551 1.772 0 50 GDAA CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)cn1 12058638 ZMMMFUPYKMVEPQ-LJQANCHMSA-N 383.496 1.343 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(c3noc(C4CC4)n3)CC2)C1)N1CCOCC1 71747749 WMGKITNQZXKGRM-MRXNPFEDSA-N 389.500 1.487 0 50 GDAA CNC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 71750100 HNBSETAUWUAWEH-LJQANCHMSA-N 386.540 1.268 0 50 GDAA Cc1ccc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)nn1 71753702 RLEIDTBKPHJQTJ-NHCUHLMSSA-N 381.524 1.585 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1F)CCN2Cc1cccnc1 72420188 LBIUPFDSAAISSZ-MOPGFXCFSA-N 393.459 1.843 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72436447 XOXKEJGHELHSKB-MSOLQXFVSA-N 392.521 1.800 0 50 GDAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCNC(=O)C2)c1C 91350733 VTADHSLWVKKUGL-KRWDZBQOSA-N 381.480 1.415 0 50 GDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)Cn1nnc(-c2ccccc2)n1 91781698 ZBLSFAWPVDSHCX-UHFFFAOYSA-N 376.380 1.444 0 50 GDAA CS(=O)(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(Cl)s3)C[C@@H]2C1 95364643 AIVGOLZTCCGOQF-QMTHXVAHSA-N 378.903 1.260 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cn3ccccc3n1)CC2 95520800 AATWWVWMVRPELJ-UHFFFAOYSA-N 392.463 1.984 0 50 GDAA O=C(CN1CCN(C[C@H](O)COCc2ccco2)CC1)N1CCc2ccccc21 133821733 VJXLWSZKHDJYBB-IBGZPJMESA-N 399.491 1.364 0 50 GDAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 158224223 OKVJLTCXRFGHPK-IBGZPJMESA-N 383.492 1.957 0 50 GDAA CC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc2C1=O 170190807 JPIFORAHVICXQX-UHFFFAOYSA-N 375.425 1.946 0 50 GDAA Cc1ncc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c(C(C)C)n1 172127700 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CN(C)c1cc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)c2ccccc2n1 277596799 RYLCWVJAJNNGJV-ZDUSSCGKSA-N 392.463 1.589 0 50 GDAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@@]2(C1)NC(=O)NC2=O 279015446 GAMCYWXYDRNMNA-ZMZPIMSZSA-N 394.859 1.658 0 50 GDAA C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(OCC(=O)O)c2)C1=O 299753231 XJCAACSPTREDOG-CQSZACIVSA-N 398.415 1.970 0 50 GDAA CC(C)c1nc(C(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N)n3)C2)cs1 328632854 LNAURLPOEIAQJQ-GFCCVEGCSA-N 376.486 1.691 0 50 GDAA O=C(c1ccc2c(c1O)CCCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1 366091498 ZWSYNBRANVHOPH-OAHLLOKOSA-N 378.494 1.911 0 50 GDAA COC(=O)CCNC(=O)CN1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 374845797 WWGUGKLDEHHVNR-CQSZACIVSA-N 380.514 1.109 0 50 GDAA Cc1c(-c2cccc(C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)c2)cnn1C 534671770 IVXYEGKHKZFNHP-MRXNPFEDSA-N 377.466 1.017 0 50 GDAA CCn1cc(C(=O)NCc2nncn2CCCOC)c(=O)c2ccc(C)nc21 824396909 RVNUHQBARNBOFE-UHFFFAOYSA-N 384.440 1.283 0 50 GDAA Cc1nc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)nc2c1CCCC2 827764185 VESDLJXZEWHARY-MRXNPFEDSA-N 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COc1cc(C(=O)N2CCO[C@@H](C(=O)N3CCCC3)C2)cc(OC)c1OC 72419076 VYWZVGMWOPBTLT-MRXNPFEDSA-N 378.425 1.176 0 50 GDAA CCN1CCN(CCCN2CC3(CCN([C@H]4CCCNC4)CC3)OC2=O)CC1 72426814 ZGSZYCFYWDNSLX-IBGZPJMESA-N 393.576 1.053 0 50 GDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCOCC1 72437173 XJALCPSGKUFYSM-UHFFFAOYSA-N 382.482 1.271 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)n(C)c3=O)CC2)cc1 77470078 QNZGGMRCVGNUMG-UHFFFAOYSA-N 383.448 1.609 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1NS(C)(=O)=O 82170708 HCUXEAPRZFLATC-XJKSGUPXSA-N 378.498 1.528 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(CCn2cncn2)CC1 95378690 LAUJYEIKGXKUEY-UHFFFAOYSA-N 378.440 1.270 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Cn2ccnc2C)CC3)cn1 95383207 VXVNPWPMDKHEBY-UHFFFAOYSA-N 396.495 1.721 0 50 GDAA COc1ccc(CN(C)CC2CCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 95516800 HEMZRMJWKPABDE-HXUWFJFHSA-N 391.556 1.914 0 50 GDAA CN(C1CCOCC1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](N)C2)c1 97635050 CDPFRSPNLZXTFP-HUUCEWRRSA-N 381.498 1.096 0 50 GDAA Cn1ncc2c(N3CCN(CC4CC4)[C@@H](CCO)C3)nc(-c3ccncc3)nc21 106943257 DABLTADEAWNEDL-KRWDZBQOSA-N 393.495 1.708 0 50 GDAA CC(=O)NCCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 144046083 LKGLCVKGZHCTDD-UHFFFAOYSA-N 380.246 1.952 0 50 GDAA O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@@H](O)CN1 152329043 NREAPOQZDVAQFX-HUUCEWRRSA-N 383.286 1.336 0 50 GDAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 162996330 ZTAJGILKPSWZSY-GFCCVEGCSA-N 382.873 1.598 0 50 GDAA COC(=O)c1coc(S(=O)(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 170603625 ILNHNCLNEJBTFL-UHFFFAOYSA-N 384.414 1.084 0 50 GDAA CC(C)OCC[C@@H]1NC(=O)N(C[C@H]2CC(=O)N(CCc3ccccc3)C2)C1=O 170614051 PNFRDWRGARZVQV-ROUUACIJSA-N 387.480 1.813 0 50 GDAA CN(C)[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 170873554 QZIQKMHTGWOLFS-LBPRGKRZSA-N 379.404 1.303 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)NC1CCN(Cc3ccc(F)cc3)CC1)CC2 174118876 IYDQFAUKYVSTIC-UHFFFAOYSA-N 399.470 1.652 0 50 GDAA C[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1OCCN1CCOCC1)C2 219882341 ZSRXENANDGIFPA-QGZVFWFLSA-N 386.496 1.663 0 50 GDAA O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CC[C@@H](N2CCNCC2)C1 262045520 LXUBKGOAWPHQFV-QGZVFWFLSA-N 376.464 1.516 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCO1 263175234 DNQZIHWNUOLLNA-KZNAEPCWSA-N 375.469 1.750 0 50 GDAA CCC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)c2c(C)nn(C)c2C)c1 275139792 WPGDEYFMNZXFFV-INIZCTEOSA-N 379.438 1.734 0 50 GDAA CN1CCN(c2ccc(NC(=O)[C@@H]3COCCN3CC(F)(F)F)nc2)CC1 283647971 CSDICSROZIJUDF-AWEZNQCLSA-N 387.406 1.035 0 50 GDAA O=C1CO[C@@H](CNc2ccncc2F)CN1CC1CCN(CC2CC2)CC1 299788354 UQBHAYGUPNIYII-KRWDZBQOSA-N 376.476 1.982 0 50 GDAA CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCC(=O)O)C2CCOCC2)c1 328595317 QXJOUIADRYHMKN-UHFFFAOYSA-N 387.429 1.715 0 50 GDAA COC(=O)C(C)(C)NC(=O)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 328596715 SJFHFYGHAGQFRH-UHFFFAOYSA-N 382.467 1.890 0 50 GDAA CC(C)n1cc(C[C@H]2N=C(O)N(CC(=O)N3c4ccccc4C[C@H]3C)C2=O)nn1 328610119 GMPSKVLYGFGLJK-CZUORRHYSA-N 396.451 1.504 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)o1 328613344 ROOGKLCXLMZAKX-OAHLLOKOSA-N 397.453 1.419 0 50 GDAA COCCN1C(=O)C[C@@H](CNCc2cnc3ccccn23)[C@@H]1c1cnn(C)c1 328619790 GFRUCQOJUPCNBS-MGPUTAFESA-N 382.468 1.394 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2noc3c2CCCC3)cn1 328628709 NYRISZWSZBENIN-CQSZACIVSA-N 378.454 1.382 0 50 GDAA CC(C)CN(C(=O)Cn1cnc(-c2nccs2)n1)[C@@H]1CCS(=O)(=O)C1 329724859 BQKQYTSCCMIETM-GFCCVEGCSA-N 383.499 1.073 0 50 GDAA C[C@@H](CS(C)(=O)=O)NC(=O)c1csc(-c2ccc3c(c2)CCN3C)n1 368928339 DYPGIOLLCKGCPD-NSHDSACASA-N 379.507 1.965 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCO[C@@]2(CCCOC2)C1 375928451 UFIXSCGWDAEIID-IBGZPJMESA-N 394.493 1.397 0 50 GDAA O=C(NCCSc1nc[nH]n1)N1CCN([C@H]2CCc3ccccc3C2)CC1 426596643 SELJYSMGRLVWTF-KRWDZBQOSA-N 386.525 1.782 0 50 GDAA O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N[C@H]1CCc2c(O)cccc21 490528966 SEMUSKYPUNYODC-KRWDZBQOSA-N 377.404 1.774 0 50 GDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 534590232 NCPQIPPXZLFUSK-OAHLLOKOSA-N 376.457 1.616 0 50 GDAA COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@H]1CCCOC1 788408378 DRPOKTKAQDCCDZ-NEPJUHHUSA-N 391.873 1.985 0 50 GDAA COc1ccc(NC(=O)Cc2cscn2)cc1S(=O)(=O)N[C@@H]1CCOC1 888100945 FUPDCRABBLWHTN-GFCCVEGCSA-N 397.478 1.400 0 50 GDAA Cn1ncnc1CN1CCC[C@]2(CC(=O)NN2C(=O)c2cc(F)ccc2F)C1 888103482 JQVBYTBANOQOAB-SFHVURJKSA-N 390.394 1.005 0 50 GDAA O=C(c1cncc(N2CCC([C@H](O)c3cccs3)CC2)n1)N1CCOCC1 1506403124 WDQJYQYQWKXENS-SFHVURJKSA-N 388.493 1.961 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)no1 1529161413 IJWDHGYQVBKHOM-UHFFFAOYSA-N 385.468 1.892 0 50 GDAA Cc1ccc(-c2cccc(C(=O)N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c2)o1 1616078549 PZPBSOLCENMWEF-SJORKVTESA-N 392.477 1.579 0 50 GDAA O=C(c1cccc2c1OCCO2)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704342204 KOIGFOGPKBPTPC-XMSQKQJNSA-N 397.427 1.978 0 50 GDAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCCN(C(=O)c2cscn2)CC1 1772704762 SSTDVQICYHYENR-SFHVURJKSA-N 384.505 1.874 0 50 GDAA Cc1nc[nH]c1CN1C[C@H]2COC[C@@H]1CN(CCn1c(=O)oc3ccccc31)C2 1772712933 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Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnn(C)c3C3CC3)C2)c1C 1875397738 LVIWIJSIFGWREC-QGZVFWFLSA-N 397.527 1.775 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2cc(C(C)C)[nH]c(=N)n2)CC1 1940193445 KRIZJVDULBUHFO-UHFFFAOYSA-N 382.468 1.937 0 50 GDAA O=C(NCCN1CCCS1(=O)=O)c1nc(-c2ccccc2)ncc1Cl 2325789751 KOTNWKRMFFCAHZ-UHFFFAOYSA-N 380.857 1.562 0 50 GDAA NC(=O)C(F)(F)C1(O)CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 2325869257 FJEBBMRJWJLHHP-UHFFFAOYSA-N 388.378 1.267 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@]2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 2356140005 PPQAOFJISWQKLJ-SFHVURJKSA-N 397.397 1.934 0 50 GDAA COCc1noc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356168103 PRKKEFUCQUCSQU-SPYBWZPUSA-N 378.473 1.477 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc2ncnn12 2356158340 HZPIGQDSBNTNQY-UHFFFAOYSA-N 389.415 1.937 0 50 GDAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc([C@]3(C)NC(=O)NC3=O)cc1)CC2 246691017 DSQXIOYDIANJKM-FIKGOQFSSA-N 384.480 1.829 0 50 GDAA CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)C1 225768991 MEYGJOFEIWBLHY-XJKSGUPXSA-N 388.468 1.840 0 50 GDAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 247746690 QHPUUEBBDZFKOK-XKQJLSEDSA-N 391.493 1.621 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2CCC(c3nncn3C(C)C)CC2)co1 331993907 YMVMFBMRROCXGZ-UHFFFAOYSA-N 381.458 1.380 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1 12372991 AKVHTMOXIFQTGE-LJQANCHMSA-N 398.507 1.563 0 50 GDAA Cc1c(NC(=O)c2c(NC(=O)c3ccnn3C(F)F)cnn2C)cnn1C 2800743 IYGHNRJTSFGBEK-UHFFFAOYSA-N 378.343 1.558 0 50 GDAA CCc1ccc(CN2CCOC[C@H]2CC(=O)N(C)Cc2cnn(C)c2C)nc1 72409486 KYEUJNLWJZCGJL-HXUWFJFHSA-N 385.512 1.935 0 50 GDAA Cn1c(=O)c2c(ncn2CCNC2[C@H]3CC[C@H]2Cc2ccccc2C3)n(C)c1=O 329511801 XQZNUITYWFJVBP-IRXDYDNUSA-N 393.491 1.217 0 50 GDAA COc1cc(CN2CC[C@H](NC(=O)c3ccc4c(c3)nnn4C)C2)cc(OC)c1 150764390 VUGHVCCCNKXMTM-INIZCTEOSA-N 395.463 1.990 0 50 GDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)CC[C@H]21 77354100 FAEUEXYRHJTJPA-DOTOQJQBSA-N 385.468 1.197 0 50 GDAA CC(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C1 77339561 GQHDPORHWUMPPI-UHFFFAOYSA-N 379.526 1.554 0 50 GDAA CCO[C@@H]1C[C@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C12CCOCC2 366113803 CHOOAPMJPNCNOF-DLBZAZTESA-N 383.533 1.713 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@H]1COCCO1)C(=O)N(C1CCCC1)C2 71751688 RKOQXRYMDWLGCE-MRXNPFEDSA-N 375.425 1.020 0 50 GDAA CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)C1CCOCC1 14963044 FXQPZSQWMFSPPA-KRWDZBQOSA-N 397.878 1.807 0 50 GDAA Cc1ccc(F)cc1NC(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O 245237706 RZFIJYWCILAWAX-SQWLQELKSA-N 383.445 1.480 0 50 GDAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1=O 71764644 QZVSVYYVFYZYRP-GFCCVEGCSA-N 376.331 1.619 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCn2nc([C@@H](O)CO)cc2C1 221224799 FIPSDDHLYKGZEC-FQEVSTJZSA-N 385.443 1.866 0 50 GDAA O=C(O)[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc(N4CCOC4=O)cc3)[C@@H]2C1 290663213 OEVGBUGAAONSLV-WOSRLPQWSA-N 394.449 1.907 0 50 GDAA O=C1CN(c2cc(C3CC(O)C3)ncn2)CCN1Cc1ccc2c(c1)OCO2 223595913 KAFKEIDEWCTIQP-UHFFFAOYSA-N 382.420 1.292 0 50 GDAA Cc1ccc(-c2noc(CCCC(=O)N3CCN(c4nc[nH]n4)CC3)n2)cc1 426496942 NGQVHYJUZCYDTP-UHFFFAOYSA-N 381.440 1.835 0 50 GDAA CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)CSc3ccncc3)C2)CC1 95506374 GMWXYIZRGZZWDB-QGZVFWFLSA-N 390.553 1.967 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cc(C)n[nH]4)C3)CCC2=O)cn1 91858407 BKFJVSKRTKWDEP-FQEVSTJZSA-N 382.468 1.862 0 50 GDAA CC(C)c1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)[nH]n1 92099265 SLIDXMRETIPWDR-APWZRJJASA-N 377.533 1.384 0 50 GDAA O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1 95366205 WPAVFXMFIYWUFA-HNNXBMFYSA-N 377.397 1.245 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2cccc(-c3cnc[nH]3)c2)C1 97243978 HYIIVALWMGEDMX-CYBMUJFWSA-N 377.470 1.870 0 50 GDAA O=C(O)CN(C(=O)CN1C(=O)COc2cc(Br)ccc21)C1CC1 268956174 UVRNGDWFAGTDPQ-UHFFFAOYSA-N 383.198 1.250 0 50 GDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(Cc2ccncc2)CC1 298861524 PYFYYDJNFMGJOG-UHFFFAOYSA-N 389.477 1.849 0 50 GDAA C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 252695279 XPSGQCLQFPTXGQ-AAVRWANBSA-N 399.488 1.412 0 50 GDAA biogenic CCn1ncnc1[C@H](C)NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 534577256 NYEDJKKGXBNYIV-AWEZNQCLSA-N 386.456 1.615 0 50 GDAA COC(=O)c1c(S(=O)(=O)NCCc2cccc(F)c2)sc2c1CCNC2 824171088 MOBDMJVRHDICPJ-UHFFFAOYSA-N 398.481 1.841 0 50 GDAA Cn1cc(-c2ccnc(C3CCN(C(=O)CCCc4cnn[nH]4)CC3)n2)cn1 952891217 CDGXKCHZWPHHSJ-UHFFFAOYSA-N 380.456 1.724 0 50 GDAA O=C(N=c1cc2n([nH]1)CCC2)[C@]1(O)CCc2cc(Br)ccc2C1 1875274535 HBXDSLIAOMKFSC-KRWDZBQOSA-N 376.254 1.872 0 50 GDAA CN(C(=O)C(F)(F)c1cnc(O)nc1O)[C@H]1CCN(Cc2ccccc2)C1=O 1875262177 HRLAWLNTSHPIDQ-ZDUSSCGKSA-N 392.362 1.239 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1ncccc1N(C)C)C[C@H](C)O[C@@H]2C 1875315781 HKQLRYMWCORWTN-UONOGXRCSA-N 387.484 1.943 0 50 GDAA COc1cc(OC)cc(N2CC[C@H](Nc3ncnc4c3NC(=O)CO4)C2=O)c1 1875341506 VUTHXFFFDIBCTO-ZDUSSCGKSA-N 385.380 1.042 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2coc3ccccc23)ncn1 1875400566 DJCDQRLBUXCDPG-HZPDHXFCSA-N 395.463 1.587 0 50 GDAA CCCn1cc(C(=O)NC[C@H]2CCCN(C(=O)c3cccnc3O)C2)c(C)n1 952987967 HSBUQVSMPOUABB-OAHLLOKOSA-N 385.468 1.984 0 50 GDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2ccccc2F)C[C@H]1C 189634116 NJWQOADEMBOEIY-CYBMUJFWSA-N 383.427 1.750 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC(=O)N[C@H](C)C2)ccc1F 1704325973 QFAHSYDEBGLMDA-SNVBAGLBSA-N 376.388 1.516 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCO[C@@H](CN)C2)cc1 1704314120 ONMIBAOQAJHVEI-INIZCTEOSA-N 386.452 1.750 0 50 GDAA Cc1nc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1C 1704339592 SOEWTEXQLUURDX-QAPCUYQASA-N 386.477 1.813 0 50 GDAA COc1ccc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)cc1OCC(=O)O 1704354141 UCPYFGMBMOVZMC-ZBFHGGJFSA-N 376.409 1.490 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCNS(C)(=O)=O)C2 1772811972 CWSJRVZQGNQBIP-NSHDSACASA-N 398.510 1.185 0 50 GDAA COc1ccc(-n2ccnc2CN2CCC3(CC2)NCC(C)(C)CNC3=O)cc1 1772804811 DYKXOABDICUZHI-UHFFFAOYSA-N 397.523 1.961 0 50 GDAA COc1ccc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 5744637 JRAGDFYEBXJVQU-UHFFFAOYSA-N 378.450 1.786 0 50 GDAA O=C(/C=C/c1cccs1)NCCCn1cc(C(=O)N2CCSCC2)nn1 12244262 TZTPXQWXNCHNDT-SNAWJCMRSA-N 391.522 1.748 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N2CCCN(C3CCCC3)CC2)CC1 12298299 HUTOCTAZLYSPEF-UHFFFAOYSA-N 389.548 1.382 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cs1 19200816 IUXGCDWJMLFDBL-UHFFFAOYSA-N 379.507 1.614 0 50 GDAA CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1 19533466 NEPGGBUCUNPFKD-INIZCTEOSA-N 375.425 1.491 0 50 GDAA O=C1Nc2ccc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)c3cccc1c23 1857669848 NUIOYLLWUGGXFN-HXPMCKFVSA-N 388.445 1.425 0 50 GDAA Cc1ncc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c(O)n1 1857672208 CAYMPVBTRLVDRG-FQEVSTJZSA-N 381.436 1.984 0 50 GDAA COCCNC(=O)c1cc2c(s1)CCOC21CCN(Cc2cnc[nH]2)CC1 1857692772 TXPCDGWMXHTKKR-UHFFFAOYSA-N 390.509 1.911 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N3CCC(CCC(=O)OC)CC3)CC2=O)s1 1857729362 XMCBTDSMZRJJFY-ZDUSSCGKSA-N 394.497 1.645 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cn(-c5ccccc5)nn4)[C@@H]2CC(=O)N13 1857730236 NMJHHGCUVNAUDO-QKLQHJQFSA-N 381.436 1.465 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCN([C@@H]2CCc3ccccc3C2)CC1 1875241723 ZEZXRWDBNTUSIO-LJQANCHMSA-N 379.508 1.344 0 50 GDAA Cc1cc(C)cc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)c1 328611759 MQEQBLPJLKRVNW-KRWDZBQOSA-N 390.509 1.994 0 50 GDAA O=C(NCCCO)c1cn(C2CCN(Cc3c(F)cccc3F)CC2)nn1 14997902 RYRUWVWBHGEZRE-UHFFFAOYSA-N 379.411 1.506 0 50 GDAA O=C(NCCC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 378113734 JTOCAFVLGKQOMX-HXUWFJFHSA-N 381.476 1.893 0 50 GDAA CO[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 378631438 HBQJUECDFFBYLG-HNNXBMFYSA-N 382.482 1.190 0 50 GDAA NC[C@@H]1CN(C(=O)NCCn2cc(Br)cn2)CC[C@@H]1C(F)(F)F 827305952 KPXORGZYUGLYFZ-KOLCDFICSA-N 398.227 1.814 0 50 GDAA O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 832100764 CNTCLWWFFRHJHZ-QWRGUYRKSA-N 389.930 1.903 0 50 GDAA CO[C@]1(CN(C)C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)CCOC1 2325799392 SIMJAXKTXYOHNT-KSSFIOAISA-N 399.513 1.244 0 50 GDAA CC(C)n1cc(CNC[C@H](O)COc2ccc(Cl)cc2F)c(O)nc1=O 2325806849 KRMWAURQZSYJAN-ZDUSSCGKSA-N 385.823 1.852 0 50 GDAA Cc1cc(C(=O)N2CC3(C[C@H](NC(=O)[C@@H]4CCCN4C)c4nccn43)C2)oc1C 2332237535 ACLFLDPRCCCGIS-HOTGVXAUSA-N 397.479 1.599 0 50 GDAA C[C@@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 796595 PKKJRYQWRZBIJY-CYBMUJFWSA-N 388.493 1.539 0 50 GDAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1OC 804401 DSSBZDRSBRHOPJ-HNNXBMFYSA-N 377.418 1.904 0 50 GDAA COc1ccc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 1460662 OXZHQARLHMHRHI-OAHLLOKOSA-N 379.482 1.724 0 50 GDAA C[C@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1n[nH]c(=N)s1 2356146802 WFYKPGMDLDZCQA-VIFPVBQESA-N 379.511 1.655 0 50 GDAA CCNC(=O)CN1C(=O)[C@@]2(CCN(C(=O)Cc3cc(C)no3)C2)c2ccccc21 2356167274 LTPHITBKWZDROY-OAQYLSRUSA-N 396.447 1.179 0 50 GDAA O=C([C@@H]1CCc2ncnn2C1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356169877 KFXPJRQZNYWQSI-MRXNPFEDSA-N 377.452 1.108 0 50 GDAA C[C@H](NC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)c[nH]1)[C@@H]1CCCO1 248382305 WLZAYCBTOVIREH-SHUKQUCYSA-N 385.486 1.158 0 50 GDAA COC(=O)[C@]1(C)N[C@H](c2csc(-c3ccccc3)n2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65434424 PDAATIRPVVRSPQ-QGDIXAPHSA-N 385.445 1.617 0 50 GDAA CS(=O)(=O)NCCN(CC(=O)N1CCC(Cc2ccccc2)CC1)C1CC1 252482548 DIYAJKMTZCGDCU-UHFFFAOYSA-N 393.553 1.481 0 50 GDAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1 252587389 XWJUPOBQKBPMOT-UKRRQHHQSA-N 390.527 1.762 0 50 GDAA Cc1nc2c(c(C)c1CC(=O)NC[C@](C)(CO)Cc1ccccc1)c(=O)[nH]n2C 252510892 ZQWBYQVZTPQANN-JOCHJYFZSA-N 396.491 1.778 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3c(C)nn(C)c3C)CC2)C1 67605244 DFAMYAMAQMGEQN-GOSISDBHSA-N 391.560 1.476 0 50 GDAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@H]2CC(=O)N(C4CC4)C2)CC3)c1 12303060 RGLVEMXJFGAYNO-CQSZACIVSA-N 380.448 1.981 0 50 GDAA NC(=O)c1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1 71759620 JLZNMUCMKYOGCX-UHFFFAOYSA-N 389.463 1.712 0 50 GDAA COCCN1C(=O)C[C@@H](CNC2CCC(OC)CC2)[C@@H]1c1cnn(C)c1C 328621496 HTHNKKNPDOGHEZ-MVBPIPQGSA-N 378.517 1.812 0 50 GDAA N=C(O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328616585 BUHSQOHMPUEZAP-LLVKDONJSA-N 398.872 1.991 0 50 GDAA Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(Cl)c4ncccc34)C2)n1 328609004 BWCAFWKKVSLPCK-INIZCTEOSA-N 394.840 1.862 0 50 GDAA COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc3c1OC(C)(C)C3)CC2 328680216 UNHSOYIWMZDXOZ-ZDUSSCGKSA-N 392.481 1.431 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2C)C[C@@H]1c1ncc[nH]1 328642322 YKVXGHMOROHVCX-CYBMUJFWSA-N 382.461 1.933 0 50 GDAA CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1c1ncc[nH]1 328627522 MUXOPRHCTQSOMX-LLVKDONJSA-N 390.387 1.986 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC(F)(F)F)CC2 77408006 UHDYPFZDLSVHOH-NSHDSACASA-N 394.415 1.573 0 50 GDAA NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c1 375617134 LILQQBOFODEKIF-HNNXBMFYSA-N 395.481 1.561 0 50 GDAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3ccnc(-n4cnnc4)c3)C2)c1 72157133 KWVXQCJFSCCKQG-OAHLLOKOSA-N 376.420 1.466 0 50 GDAA CCOC(=O)CC1(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)CC1 241287527 LMEYHVCEJMXIRS-UHFFFAOYSA-N 377.466 1.820 0 50 GDAA CCc1cc(S(=O)(=O)N2CCn3nc(CNC(C)=O)cc3C2)ccc1OC 426544398 OJEQZJVUTYBOAK-UHFFFAOYSA-N 392.481 1.295 0 50 GDAA O=C(NCc1cccc(-n2cccn2)c1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 426438885 NZIOTIQTPGWGDJ-IBGZPJMESA-N 397.479 1.795 0 50 GDAA O=C(c1cc2ncc(CCO)cn2n1)N1CCC[C@@H](OCc2ccccn2)C1 426544965 GWWYLRGAAYWCRZ-QGZVFWFLSA-N 381.436 1.481 0 50 GDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2ccc(-n3cncn3)cc2)C1 95528301 HRSITQKJHSFFJO-CYBMUJFWSA-N 378.458 1.060 0 50 GDAA Cc1ncc(S(C)(=O)=O)c(N[C@@H]2CCCN(Cc3cccc(O)c3)C2)n1 95366369 VWPULIPKUKQXSO-OAHLLOKOSA-N 376.482 1.971 0 50 GDAA COc1cc(C(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ccn1 95377925 PEXXZTMYZZTKLL-HNNXBMFYSA-N 381.440 1.483 0 50 GDAA O=C1CCC2(CCN1)CCN(C(=O)CCN1C(=O)COc3ccccc31)CC2 67757132 OBKQWRFULWKVFH-UHFFFAOYSA-N 385.464 1.711 0 50 GDAA Cc1cc(N2CCN(Cc3cccc(Cn4cccn4)c3)CC2)n2ncnc2n1 825138946 QNAUFOINYUGRDE-UHFFFAOYSA-N 388.479 2.000 0 50 GDAA CCN1CCN(CC(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)CC1 823112866 JVLJNXSCLJQHAW-HXUWFJFHSA-N 375.513 1.840 0 50 GDAA CNc1nc(C)c(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)s1 824091284 FVGBFXHCCICLMV-UHFFFAOYSA-N 382.511 1.781 0 50 GDAA Cc1oc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1C(=O)O 268924861 DWBUIKMWGDDMAW-RHSMWYFYSA-N 388.424 1.588 0 50 GDAA COCCc1noc(CN(C)C(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 584891439 UJUCWMCPNSVTAJ-CQSZACIVSA-N 387.440 1.514 0 50 GDAA C[C@H]1COCCN1C(=O)Cn1c(C(=O)N2CCOC[C@@H]2C)cc2ccccc21 864825490 REUDCTSVDVPVOK-HOTGVXAUSA-N 385.464 1.750 0 50 GDAA CCOC1CC2(C1)C[C@@H]2C(=O)N1CC[C@@H](n2cc(-c3ccc(=N)[nH]c3)nn2)C1 1875353362 PXXLPXXGZUZMHX-OXJONJSCSA-N 382.468 1.731 0 50 GDAA COc1ccc(NC(=O)[C@H](CCSC)NC(C)=O)c(C(=O)NC2CC2)c1 1875321790 VNFFUKPXMYLRHD-INIZCTEOSA-N 379.482 1.784 0 50 GDAA CSc1ncc(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cn1 952972192 FYJAZNUUKYCRBJ-BIXGBWIQSA-N 381.549 1.856 0 50 GDAA CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cn1 225454746 KMTNIFGRCIHXBL-UHFFFAOYSA-N 384.454 1.978 0 50 GDAA CC[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C[C@@]2(CCOC2)O1 225440975 SQAPBILJNRBCLH-OXQOHEQNSA-N 387.411 1.782 0 50 GDAA C[C@H](c1nnnn1C1CC1)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 191930584 VUXPNXIOROLMQW-CQSZACIVSA-N 397.549 1.196 0 50 GDAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCc1ccc2c(c1)CCO2 192649160 CQVLLSMAVHKZDI-UHFFFAOYSA-N 392.525 1.517 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(CN3CCCC3=O)CC2)[C@@H](c2ccccc2)N1 1529189280 JXOLXNZPCZTDLW-UXHICEINSA-N 385.464 1.104 0 50 GDAA CO[C@@H]1C[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)CC[C@@H]1O 1704316096 JXPORLQRRJRSIO-SNMNTYLSSA-N 375.473 1.013 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(c3nnc(-c4ccccc4)s3)C[C@@]2(CO)C1 1772815587 WCRZKXIXLRJDDF-OXQOHEQNSA-N 396.520 1.869 0 50 GDAA O=C(CCCc1cccs1)N1CCCN(C(=O)CN2CCOC2=O)CC1 1772710567 BSRSNTZKORURIY-UHFFFAOYSA-N 379.482 1.584 0 50 GDAA CC(C)(NC(=O)NCCCO)c1cccc(C(C)(C)NC(=O)NCCCO)c1 5481633 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C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)[C@@H]1CN 237484815 LXNOLCDLQFZBQP-CZUORRHYSA-N 379.486 1.142 0 50 GDAA CCn1nc(C)cc1S(=O)(=O)N[C@H](c1ccc(OC)nc1)[C@H]1C[C@H](O)C1 244601797 DRZDDWMJPVTUSC-CKEIUWERSA-N 380.470 1.406 0 50 GDAA COC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245255699 LAEIYMPGJPIZDI-IHRRRGAJSA-N 387.436 1.586 0 50 GDAA COc1cccc([C@H]2CN(C3CCN(C(C)=O)CC3)C[C@@H]2C(=O)O)c1OC 247913774 FHMMBJZPAJWEAF-SJORKVTESA-N 376.453 1.815 0 50 GDAA CS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1Br 269146859 PXCQQEODSFUMNQ-UHFFFAOYSA-N 390.255 1.789 0 50 GDAA COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)nn1 277435323 DVEYKYONUBIWHE-YVEFUNNKSA-N 386.456 1.337 0 50 GDAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(n2)CCCC3)CC1 278439477 VOCCGAKKBNJWKO-LJQANCHMSA-N 385.512 1.408 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)cc(Cl)c2O1 278577713 ACOKAOJVOCEOQB-ABKXIKBNSA-N 399.856 1.026 0 50 GDAA COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccnn3)CC2)CC1=O 299691873 WKFYGGWTQPWKBB-HNNXBMFYSA-N 381.436 1.187 0 50 GDAA Cc1cccc(OCCc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)c1C 328621753 ASYFWKARUAVBEP-HNNXBMFYSA-N 381.454 1.641 0 50 GDAA O=C(CN1CCC(O)=NC1=O)N1CCCN(C(=O)c2ccccc2F)CC1 329409565 BFNFLMCEEAFRQN-UHFFFAOYSA-N 376.388 1.282 0 50 GDAA COC[C@@H](NC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12)c1ccnn1C 426691146 GQHLPTAXFBRDFT-LLVKDONJSA-N 382.346 1.908 0 50 GDAA CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc2nsnc12 863449922 BBJPFSGANWMHQE-BXUZGUMPSA-N 379.467 1.716 0 50 GDAA O=C(Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@@H]1CCCS(=O)(=O)C1 922758593 XSMGEWKRCORQRV-MRXNPFEDSA-N 388.493 1.662 0 50 GDAA O=C(C[C@@H]1CCc2ccccc21)NCC1CCN(C(=O)Cn2cnnn2)CC1 952965965 SVRSLVVUWHEPPC-KRWDZBQOSA-N 382.468 1.148 0 50 GDAA O=C([C@@H]1CCCCS1(=O)=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1339182928 DHSCLIXVRLZUCS-KRWDZBQOSA-N 389.477 1.527 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCCc2nc(Cc3ccccc3)no2)C1 1506396947 NCXNTFWEPQNHOV-INIZCTEOSA-N 394.497 1.396 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)n1 1506430321 ZLZGMTGNZUFPKS-CQSZACIVSA-N 386.456 1.877 0 50 GDAA O=C(N1CCN(c2cnccn2)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2 1704301152 MSVMJGTZMGLCBF-DXIQSLLYSA-N 377.492 1.879 0 50 GDAA CN1CC[C@]2(C(=O)NCCn3ccnn3)CCCN(CCc3ccccc3)[C@H]2C1 1857672773 GXEKPNRBBPIQMJ-RBBKRZOGSA-N 396.539 1.423 0 50 GDAA COCCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)c1cc(C(C)C)[nH]c(=N)n1 1857687095 KOACGDZUOIYDRI-FVCICTRLSA-N 375.473 1.016 0 50 GDAA COc1ccc(CCNC(=O)[C@]23COC[C@H]2CN(Cc2nccs2)C3)cc1 1857695016 PQMUOLXQRVLEQQ-OXQOHEQNSA-N 387.505 1.959 0 50 GDAA O=C(c1cc[nH]c1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857701870 WGWPDIUNBVDRMU-HXUWFJFHSA-N 383.452 1.467 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)C3CCOCC3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857729845 HOWOVMKAQZBLOZ-LMMKCTJWSA-N 392.477 1.270 0 50 GDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857734278 OKIRDUGYNXZQLF-APWZRJJASA-N 392.839 1.604 0 50 GDAA COc1ccccc1C(=O)N1CCC(OC)(C(=O)N2CCCN(C)CC2)CC1 1857740900 RYWVHPBASSMITJ-UHFFFAOYSA-N 389.496 1.481 0 50 GDAA Cn1c(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(=O)n(C)c1=O 1875256822 QHYQNFGGRNTZMA-UHFFFAOYSA-N 392.459 1.195 0 50 GDAA NC(=O)[C@@H](NC(=O)CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 1875262195 PVSRHPQSPBYTRB-XLIONFOSSA-N 399.422 1.867 0 50 GDAA CC[C@@H]1CN(C(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)C[C@H]1N1CCOCC1 1875278419 YKHKGSKITONKKA-CZUORRHYSA-N 378.473 1.548 0 50 GDAA Cc1cccc(C2(C(=O)N3C[C@@H](NC(=O)Cc4nonc4C)[C@H](C)C3)CC2)c1 1875309329 HZRXLECKYAOJBU-RDTXWAMCSA-N 382.464 1.924 0 50 GDAA COCc1cc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)on1 1875396615 OPJQWUKERCULQV-QRWLVFNGSA-N 389.452 1.203 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnccc3N(C)C)C2)c1C 1875397073 JUNNDZJXSBXNLO-QGZVFWFLSA-N 397.527 1.625 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@]4(CNC(=O)CO4)C3)ncnc21 2100482852 CUBVDRNILWDUDU-HXUWFJFHSA-N 386.500 1.920 0 50 GDAA O=C(c1n[nH]cc1Cl)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100482904 FXSNEEMZNZDAPN-LXIYXOSZSA-N 380.876 1.964 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(F)cc(N2CCOCC2)c1 2325786133 DOTACOZBQWQNTM-NIKGAXFTSA-N 388.443 1.428 0 50 GDAA Cc1cnc2c(C(=O)Nc3cccc(NC(=O)NCCC(N)=O)c3)cnn2c1 2325863051 SHZAWWITUIAIGO-UHFFFAOYSA-N 381.396 1.287 0 50 GDAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325887736 PKBGDFIGKWRHRA-IIYDPXPESA-N 383.448 1.851 0 50 GDAA CCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(CNC(=O)c3cccc(F)c3)C2)C1 2332238113 ZMDRHTHLPIVCNV-ZHTDJMBKSA-N 396.484 1.808 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)NC2CC2)C[C@H]1O)c1c[nH]c2cc(Cl)ccc2c1=O 2356141867 SZRZIAOLNHFNBE-OZUAJXCXSA-N 389.839 1.329 0 50 GDAA COC(=O)c1ccc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)nc1 2356145165 DLXCHZLDDAYNAX-NRFANRHFSA-N 395.463 1.844 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)c1 687864 GCRFFYQAEYUAIK-UHFFFAOYSA-N 394.449 1.972 0 50 GDAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 798088 JBOQCIOCMPIZEG-UHFFFAOYSA-N 376.434 1.858 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)c2csc(CN(C)C)n2)C1=O 2356135051 NMQIOGCDEPGCFS-SFHVURJKSA-N 380.514 1.448 0 50 GDAA O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccn1)C[C@H]1CCCO1 55360571 QICJHXADPZNWKO-MRXNPFEDSA-N 379.416 1.885 0 50 GDAA CN(Cc1ccon1)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)CN1C 67805731 WXSONRFGCIZPIV-HOTGVXAUSA-N 376.844 1.789 0 50 GDAA CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(S(C)(=O)=O)CC1 65364306 UDGNYKPMPGPHSC-UHFFFAOYSA-N 384.483 1.428 0 50 GDAA Cc1cc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c2c(=O)[nH]n(C)c2n1 119289838 NHGQOZZRLVBHHC-UHFFFAOYSA-N 381.436 1.234 0 50 GDAA O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1ccccn1 170625170 DIQTYDMLSSRJGI-KRWDZBQOSA-N 384.411 1.433 0 50 GDAA C[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67975388 LWNLSXXGMIUJDN-GFCCVEGCSA-N 385.424 1.375 0 50 GDAA CC(C)c1nc(CNC(=O)c2ccc(N3Cc4cnn(CCO)c4C3)nc2)no1 67975706 FKPIZJGQTRNWLP-UHFFFAOYSA-N 397.439 1.227 0 50 GDAA Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)on1 12303490 IGGQFEAULUHBJC-LJQANCHMSA-N 384.480 1.765 0 50 GDAA O=c1c(N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)nccn1C1CC1 328635458 UTWSIJZCDYPKEZ-HNNXBMFYSA-N 384.484 1.518 0 50 GDAA COCCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@@H]13)O2 77424130 OJMHDGIYGFDSSQ-JYLXEMOASA-N 384.476 1.690 0 50 GDAA CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nnc3ccccn23)CC1 154666592 WVEWTQIXFLZNFR-OAHLLOKOSA-N 393.513 1.399 0 50 GDAA Cn1nnc2c1C[C@H](C(=O)N1CCC[C@@H](c3n[nH]cc3CN3CCCC3)C1)CC2 329728756 PBIWQGZYJWSMDV-HZPDHXFCSA-N 397.527 1.645 0 50 GDAA Cc1ccc2c(c1)c(CNC(=O)CCN(C)[C@H]1CCS(=O)(=O)C1)nn2C 219320414 WJEZPVBKGXXPQF-AWEZNQCLSA-N 378.498 1.007 0 50 GDAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCN(C)CC3)c2)c1 71751767 GYARYAITPXPQMP-UHFFFAOYSA-N 390.461 1.997 0 50 GDAA COc1cccc(OCCN2CCN(C(=O)c3c(C)nn4cccnc34)CC2)c1 158037316 IXVDEIIRVQURPK-UHFFFAOYSA-N 395.463 1.883 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)NCCCn2nccc2C2CC2)c1 216103890 FXDCXENVBXLRIK-UHFFFAOYSA-N 376.482 1.831 0 50 GDAA CN(C)CCN1CC2(CCN(C(=O)CCc3csc(N)n3)CC2)OC1=O 77353284 JRERWERSTMHDRR-UHFFFAOYSA-N 381.502 1.033 0 50 GDAA Cc1[nH]cnc1CN1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 71763931 WPMAOCYHMRMBNF-IBGZPJMESA-N 389.544 1.690 0 50 GDAA CCc1nnc(CNC(=O)COc2ccc(I)cc2)o1 241923275 UEOIEXYWJOOBAH-UHFFFAOYSA-N 387.177 1.932 0 50 GDAA O=c1c2ccccc2cnn1CCn1ccnc1-c1cc2n(n1)CCCNC2 72474692 CHCYOKRORDJZKI-UHFFFAOYSA-N 375.436 1.650 0 50 GDAA COc1cc(CN(C(=O)NCCN2CCC[C@H](CO)C2)C2CC2)ccc1O 426494374 SLVHUKWKGDCDAI-INIZCTEOSA-N 377.485 1.779 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ncccc1C 20600020 CJRCZROSPDZGCR-SFHVURJKSA-N 382.464 1.406 0 50 GDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 95359723 JUSGWKTUGUCEBR-HNNXBMFYSA-N 376.457 1.348 0 50 GDAA Cc1ncsc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91462577 TXLQDFZFEMSNJX-CABCVRRESA-N 380.514 1.394 0 50 GDAA CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95504904 GJYDNBFTPRMJHR-KRWDZBQOSA-N 399.495 1.033 0 50 GDAA Cn1ccnc1SCCNC(=O)[C@@]12CNC[C@@H]1CN(Cc1ccccc1)C2 96165512 HXKWUOAAVZFINN-YLJYHZDGSA-N 385.537 1.350 0 50 GDAA Cc1ccc(C(=O)OC[C@@H]2O[C@H](O)[C@@H](O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 245238400 NCZXONSTQRPLBZ-NTLWEQJWSA-N 386.400 1.764 0 50 GDAA biogenic COCCN1CCC(NC(=O)N2CCN(c3nccc(C(C)C)n3)CC2)CC1 184738516 CSAVILOOKVNFOX-UHFFFAOYSA-N 390.532 1.542 0 50 GDAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCNc3ncccn3)C2=O)cc1 263587535 HYTIZEFTXLMEON-INIZCTEOSA-N 396.451 1.643 0 50 GDAA Cc1ccc(F)cc1CNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2c(C)noc2C)C1 1940196202 QZOCMMIMWZZDHW-JQFCIGGWSA-N 389.427 1.925 0 50 GDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncs1 299769153 KDKXYEXJOLOGMN-INIZCTEOSA-N 392.525 1.222 0 50 GDAA CC(=O)OCCN1C=C(S(=O)(=O)c2ccccc2)C2=NCCCN2C1=O 820598366 GTFAIUIKKWQGJS-UHFFFAOYSA-N 377.422 1.405 0 50 GDAA Cc1cccc2nc(CN(C)C(=O)NC[C@H]3CCCN(S(C)(=O)=O)C3)[nH]c12 584887406 NWUMDRCHCZVCIF-CQSZACIVSA-N 393.513 1.684 0 50 GDAA CC[C@H](Oc1ccccc1C(C)C)C(=O)NS(=O)(=O)C[C@@H]1COCCO1 1875265723 RACCNBZNOKYWFW-HOCLYGCPSA-N 385.482 1.829 0 50 GDAA O=c1c(C2CC2)cc(Cl)nn1C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 1875318598 UVCJTLKYDSEKIU-ZDUSSCGKSA-N 388.811 1.652 0 50 GDAA Cc1cc([C@@H](C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n(C)n1 1875397701 KXQIYUANHPESJN-HZPDHXFCSA-N 385.516 1.767 0 50 GDAA CN1CCC(c2nc(C(F)(F)F)n3c2CN(Cc2cnnn2C)CC3)CC1 1875393087 FYLLHFGQCSEQCH-UHFFFAOYSA-N 383.422 1.855 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)c2ccc[nH]2)C1)c1ccccc1-n1cnnc1 952962174 CCKUSLBVSJNVLJ-OAHLLOKOSA-N 378.436 1.878 0 50 GDAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCN(c2nc3ccccc3[nH]2)CC1 886038246 NKITXAUAMDKSFH-CQSZACIVSA-N 376.482 1.426 0 50 GDAA CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O[C@@H]1CCCS(=O)(=O)C1 1343308412 DXSPAMPEDJYBNL-CVEARBPZSA-N 382.482 1.631 0 50 GDAA Cn1c(=O)[nH]c2ccc(C(=O)N3CCS(=O)(=O)C4(CCCCC4)C3)cc21 269757952 HYTLEIPTALYOHX-UHFFFAOYSA-N 377.466 1.440 0 50 GDAA CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@@H](c3ccn[nH]3)C2)cc1 193990599 XSFNETRJZDTKHN-OAHLLOKOSA-N 378.498 1.918 0 50 GDAA O=C(C1CC1)N1CCN(Cc2ccc3ccccc3n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1616102653 VILYUTQBTWACGI-MOPGFXCFSA-N 385.489 1.455 0 50 GDAA COc1ccccc1-c1noc(CCCC(=O)N2CCOC[C@H](C(=O)O)C2)n1 1772813241 YLPAZTBJNMNRJX-CYBMUJFWSA-N 389.408 1.628 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCN(C(=O)C2CCC2)CC1 1772707099 WDAITDHHWQMXOT-UHFFFAOYSA-N 378.494 1.711 0 50 GDAA CN(C)C[C@]12CN(C(=O)c3cccc(O)c3)C[C@@H]1CN(C(=O)C1CC=CC1)C2 1772700874 FOERJTKQBCEXEQ-AVRDEDQJSA-N 383.492 1.821 0 50 GDAA COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccccn1)CC2 11995509 RJVGNMJTRKHRTG-UHFFFAOYSA-N 392.463 1.670 0 50 GDAA COc1ccc2[nH]cc(CCNC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)c2c1 12896239 NVGUYZYBNQRUPS-UHFFFAOYSA-N 392.415 1.539 0 50 GDAA biogenic CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 13153936 NHZZALCSHWXWAT-UHFFFAOYSA-N 386.408 1.813 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)c(OC)c1 14972815 GDDLCERUGBLYMI-SFHVURJKSA-N 389.496 1.797 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccccn1 206238090 ZSZPLVMIDUGUKS-CYBMUJFWSA-N 382.376 1.650 0 50 GDAA COCC(=O)N[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc3nc(O)oc3c2)C1 1857674017 XHTSIRAXTXAAMO-NEPJUHHUSA-N 397.453 1.133 0 50 GDAA O=C1NCC2(CN(C(=O)[C@]3(Cc4ccccc4)C[C@@H]4CC[C@H]3N4CC3CC3)C2)N1 1857696586 IDSWBPLUYZMOGX-YCRNBWNJSA-N 394.519 1.756 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)CC2)c1 1857726285 KIFYAHAWHMBHKM-WIYYLYMNSA-N 398.507 1.475 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(OC(F)F)cc3)C2=O)CC1 19881576 FRUASCPDYLDAHI-CQSZACIVSA-N 397.378 1.694 0 50 GDAA Cn1cc(CC(=O)N[C@H]2C[C@H](C(=O)NCc3cc[nH]n3)C[C@@H]2O)c2ccccc21 2100547586 LKGRGAIIVIZYAS-IXDGSTSKSA-N 395.463 1.016 0 50 GDAA O=C(CC[C@@H]1CCOC1)N[C@H]1CC2(CN(C(=O)c3ccco3)C2)n2ccnc21 2332237646 GAFOIIGRXIMKQO-CABCVRRESA-N 384.436 1.705 0 50 GDAA CC[C@]1(C)NC(=O)N(CC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1=O 113092302 YRMDVPXYTRBABK-NRFANRHFSA-N 386.496 1.830 0 50 GDAA CN(Cc1ccn[nH]1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 22851514 OPIPCBXDTJPKSY-UHFFFAOYSA-N 394.479 1.988 0 50 GDAA CCn1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C 20907317 BGYJXJWOPJCADU-NRFANRHFSA-N 377.577 1.953 0 50 GDAA CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)ccn2)CC1 123490694 ZUJJUOOWZJYKAH-UHFFFAOYSA-N 379.464 1.714 0 50 GDAA O=C([C@H]1CCCC[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1)N1CCCC1 329583411 LRKGNOCDWJSAGB-PMACEKPBSA-N 391.556 1.986 0 50 GDAA COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1F 2350802 WKANKAPDOZGYJK-AWEZNQCLSA-N 391.351 1.155 0 50 GDAA biogenic,in-vitro O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H](CO)Cc1ccccc1 217637515 RSTWYBLPPLSRDD-OVWQWFNUSA-N 377.510 1.432 0 50 GDAA biogenic Cc1cc(C)n(CCN(C)C(=O)c2cn(C[C@H]3COc4ccccc4O3)nn2)n1 12709211 RQYWSYWZTXEQIU-INIZCTEOSA-N 396.451 1.704 0 50 GDAA Cn1cnc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c1 77288126 QKVUIDWEIRSHGS-UHFFFAOYSA-N 388.493 1.624 0 50 GDAA O=C(CCSCc1ccccc1)N1CCOC[C@@](O)(CN2CCCC2)C1 77342835 DQFCWFWUPCXLEC-HXUWFJFHSA-N 378.538 1.996 0 50 GDAA O=C(NCCCCO)[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 72426008 PYFJGUMVESWQIM-QGZVFWFLSA-N 376.432 1.305 0 50 GDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 220304088 YROFNWJIVCDRJK-GOSISDBHSA-N 381.436 1.387 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CCCN(Cc3ccco3)C1)C2 426658257 CXDKIKAMOWYUEA-INIZCTEOSA-N 385.468 1.367 0 50 GDAA Cc1nc(CNC(=O)N2CCCN(c3ncccn3)CC2)nc2c1CCCC2 426723840 HJDXWPSONUPZOW-UHFFFAOYSA-N 381.484 1.876 0 50 GDAA CC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3c[nH]c(=O)c4ccccc34)CC2)O1 97463508 OXSWEHCODDDWFW-HNNXBMFYSA-N 383.448 1.818 0 50 GDAA CN(CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)Cc1ccncc1 91792938 ZUMRVALXVSXBOR-UHFFFAOYSA-N 379.464 1.939 0 50 GDAA Cc1nnnn1-c1cccc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 91644825 FXXMPSBKRQLTDE-VLIAUNLRSA-N 385.468 1.610 0 50 GDAA Cc1cccc2ncc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(F)cc3)c(=O)n12 97729494 CNKRDHFIXNVYEI-KRWDZBQOSA-N 380.379 1.455 0 50 GDAA CCOc1ncccc1C(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 95366173 SRNLULCAOPENMN-YYIAUSFCSA-N 377.485 1.270 0 50 GDAA CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 268909269 FMAMYALWBURDCZ-SECBINFHSA-N 390.255 1.789 0 50 GDAA CN(C)c1ccc(CCC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95359006 PHEXXOZMQBLRHK-QGZVFWFLSA-N 387.480 1.609 0 50 GDAA COc1ccc([C@H](NC(=O)CCN2CCCCCC2=O)[C@H]2C[C@@H](O)C2)cn1 252550377 SMPHLURBBLIEPT-YRNRMSPPSA-N 375.469 1.811 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccncc2)=NN1 299760447 HYABGYNANVDSEJ-MRXNPFEDSA-N 397.479 1.025 0 50 GDAA O=C(NC[C@@H]1CCCN(c2ncccc2C(=O)N2CCCC2)C1)c1ccon1 828196603 YDTOUYSWLUEZDL-HNNXBMFYSA-N 383.452 1.952 0 50 GDAA COc1ccc(N2C[C@@H](NC(=O)N3CCC(c4nc[nH]n4)CC3)CC2=O)cc1 584895773 CYWWNQDBTPLAOG-AWEZNQCLSA-N 384.440 1.508 0 50 GDAA O=C(NCc1nc(-c2ncccn2)no1)N1CCCC[C@@H]1CCn1ccnc1 584888252 UGNWNVOKFTWLLS-CQSZACIVSA-N 382.428 1.878 0 50 GDAA COc1ccc([C@H](NC[C@H]2C[C@@H](O)CN2c2cc(N)ncn2)C2CC2)c(F)c1 1875399566 CWOFWFQKFZROMG-ARGWCVDVSA-N 387.459 1.887 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C4CCC4)n[nH]3)C2)n1 1875396792 BQQXZIJILWSIEZ-OAHLLOKOSA-N 383.500 1.812 0 50 GDAA CN1CCN([C@@H]2CCCCN(S(=O)(=O)Cc3noc4ccccc34)C2)CC1 186019760 WJVCLWJKJLASAK-MRXNPFEDSA-N 392.525 1.760 0 50 GDAA Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 952967241 HAFAQSNDALOVIR-MRXNPFEDSA-N 398.463 1.897 0 50 GDAA CC(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2cccnc2)CC1 888103653 RLSRAIRALJZBOO-MOPGFXCFSA-N 385.512 1.697 0 50 GDAA CC(C)n1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 55562728 FLGGFXNZFAMHSF-UHFFFAOYSA-N 396.495 1.337 0 50 GDAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(Cl)c3c(c2)OCO3)cn1 225467299 OXJFKCLQPWKGKV-SHZVTRLKSA-N 381.841 1.748 0 50 GDAA COc1cccc(C(=O)NCCNC(=O)C2CCN(Cc3nccn3C)CC2)c1 193504651 WHKXEYWVYYTGQV-UHFFFAOYSA-N 399.495 1.187 0 50 GDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1CCC(=O)N(C2CC2)C1 11815626 XMGNNZZXQHZJAX-INIZCTEOSA-N 380.448 1.428 0 50 GDAA Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1C 14749531 IXUIWGBIEWXPPS-JBACZVJFSA-N 393.487 1.809 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)cc2)n1 1857714849 OPDQYNPCFOECCP-MOPGFXCFSA-N 382.464 1.477 0 50 GDAA CCCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H](OC3CCC3)C2)CC1 847281789 GFQMDWAXWNSXLK-KRWDZBQOSA-N 387.546 1.934 0 50 GDAA CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CCc1ccncc1 1729628037 KHLHCXVNSLYJQN-RDJZCZTQSA-N 386.500 1.976 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O 1651552 AVCOFPOLGHKJQB-UHFFFAOYSA-N 394.313 1.312 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2ccc(F)cn2)C1 2325751215 ODNVNGGTHHMTKQ-BZNIZROVSA-N 376.413 1.267 0 50 GDAA O=C(C[C@@H]1CN(C(=O)COC2CC2)C2(CCC2)CO1)N[C@H]1Cc2cccnc2C1 2325785219 KOQUNICHGGDRDZ-FUHWJXTLSA-N 399.491 1.384 0 50 GDAA C[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@@H]1NC(=O)CN(C)C1CCC1 2325808599 HICHZKUIOTZPET-KUHUBIRLSA-N 383.496 1.553 0 50 GDAA C[C@@H]1CN(C(=O)CCSc2ncnc3[nH]cnc23)CCN1c1ccncc1 915261904 OGNYOLHIJNZTPK-CYBMUJFWSA-N 383.481 1.967 0 50 GDAA O=C(N[C@H]1CC2(CN(C(=O)[C@H]3CC34CC4)C2)n2ccnc21)c1cc(C2CC2)no1 2332238026 VUZRTUKJRYMMNV-HIFRSBDPSA-N 393.447 1.961 0 50 GDAA COc1cc(CNCCOC(C)C)ccc1OC[C@H](O)CN1CCSCC1 11769524 MEHOXFDCRMHURX-GOSISDBHSA-N 398.569 1.998 0 50 GDAA O=C(Cn1cccn1)NCc1cccnc1N1CCN(c2ccccn2)CC1 15065245 XHBMZZGWYCXFOR-UHFFFAOYSA-N 377.452 1.316 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccnc2)cc1C 15078448 GXQRVUYHIBAICC-GOSISDBHSA-N 382.464 1.406 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1NC1CCCC1 16625125 MBBFKOXVEQREEO-PBHICJAKSA-N 387.523 1.475 0 50 GDAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 16661462 DUBDPIHYPRMMEX-HZPDHXFCSA-N 385.439 1.816 0 50 GDAA CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 20500481 CUUHRCWWEWYWJZ-QGZVFWFLSA-N 391.493 1.915 0 50 GDAA Cc1cc(=O)[nH]c(CNC(=O)C2(N3C[C@H](C)O[C@H](C)C3)Cc3ccccc3C2)n1 20999392 BSNRXKNAHXNFDW-IYBDPMFKSA-N 396.491 1.341 0 50 GDAA CC(=O)N1CCN(c2ccc3c4c(cccc24)C(=O)N(n2cnnc2)C3=O)CC1 23634063 IREZUZSPGUVYLG-UHFFFAOYSA-N 390.403 1.032 0 50 GDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 39510295 YVWZXYBYDBJEPK-IBGZPJMESA-N 378.448 1.317 0 50 GDAA O=C1CN(Cc2nc(-c3ccco3)no2)CCN1Cc1ccc2c(c1)OCO2 65383578 LXPLERQHSJMSPT-UHFFFAOYSA-N 382.376 1.903 0 50 GDAA COC(=O)C(C)(C)NC[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O 67934742 XLFMLZGBXQBDRE-LJQANCHMSA-N 382.432 1.229 0 50 GDAA CCc1c(C)cc(C(=O)NCc2cccnc2N2CCN(C)CC2)c(=O)n1C 67982426 PHQTXZZOLCIJBK-UHFFFAOYSA-N 383.496 1.333 0 50 GDAA COc1ccc(CNC(=O)[C@@H]2C[C@H](NC(=O)C3CCC3)CN2C)cc1OC 71278957 AAMWPQJVXLFFBD-HOTGVXAUSA-N 375.469 1.309 0 50 GDAA Cc1nccnc1N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 71746514 LTEQBYSOBWAOQP-NHCUHLMSSA-N 381.524 1.585 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)CC1 72117707 HUACPXQDXIUHBG-UHFFFAOYSA-N 375.535 1.360 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccccc3Cl)cc2C1 82108318 DKPIMLFHKALFEK-UHFFFAOYSA-N 382.873 1.632 0 50 GDAA NC(=O)C1CCN(CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1 91270159 OXYOPGIHBFUGEM-OAHLLOKOSA-N 377.460 1.640 0 50 GDAA CCc1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)cn1 91289608 VYIMHMJOVMRGTQ-MSOLQXFVSA-N 375.517 1.342 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91849002 UBKNFOSAKAENTO-DLBZAZTESA-N 382.464 1.037 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 95366361 NMMBGKDAGKFUQR-CYBMUJFWSA-N 380.391 1.822 0 50 GDAA O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@H](c1cccnc1)N1CCCC1 95378857 WWSKFQUEKAQTON-IBGZPJMESA-N 377.448 1.814 0 50 GDAA CN1CCC[C@@H]1CCNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96150464 MKQJDYOPSOMFRN-CQSZACIVSA-N 377.489 1.572 0 50 GDAA CCOC(=O)CN1CCC2(CCN(Cc3cn(C)nc3C)CC2)[C@@H](CO)C1 97155694 NDUPISVFOCRJPK-GOSISDBHSA-N 378.517 1.188 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CN1Cc1cccnc1 102543471 KNFOMMTXSJZDMG-KRWDZBQOSA-N 380.448 1.485 0 50 GDAA Cn1cc(C(N)=O)cc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 121592684 XCZYOVIHFTVMFJ-IBGZPJMESA-N 384.480 1.299 0 50 GDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2c(=O)[nH]1 169777029 VUZJEYXIYNYFJH-UHFFFAOYSA-N 379.420 1.366 0 50 GDAA Cc1cc(F)ccc1-n1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)nn1 179447455 OJAOUGRAXFEJEI-CQSZACIVSA-N 378.429 1.507 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C1=O 189161925 IHBXDQANAPYYNS-HNNXBMFYSA-N 398.435 1.796 0 50 GDAA O=C(CN1CCOC1=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 216503532 IBOHNHTXDQAEFO-ZBFHGGJFSA-N 391.493 1.582 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1COc2ccccc2O1 229985568 JIBFUZDDXURKRK-OPYAIIAOSA-N 382.460 1.826 0 50 GDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 238997249 ACMZMELXZACUAL-UWTPGLLQSA-N 385.416 1.841 0 50 GDAA COc1cc(NC(=O)CCN2CCC[C@@]3(C2)CN(C)C(=O)O3)cc(OC)c1 244724411 MTKQMJKPFQEGHC-IBGZPJMESA-N 377.441 1.949 0 50 GDAA Cn1ccnc1Sc1ccc(NC(=O)C(=O)N[C@H]2CCc3cn[nH]c3C2)cc1 252572427 ZHSQVHOICSNNGM-AWEZNQCLSA-N 396.476 1.907 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cn1 275346856 SPFIRRVZRAXGOP-MRXNPFEDSA-N 380.426 1.023 0 50 GDAA Cc1c(C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)cnn1-c1ccccc1 276533321 RCKSZFBIRPGSOJ-KRWDZBQOSA-N 391.479 1.899 0 50 GDAA CS(=O)(=O)N1CCn2nc(CNc3cc(C(F)(F)F)ccn3)cc2C1 299793295 IBAAAFDOOVCWMP-UHFFFAOYSA-N 375.376 1.684 0 50 GDAA CN(Cc1ncc(Cl)n1C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 328645604 SDRHYDOGMNHIFM-STQMWFEESA-N 381.887 1.978 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2ccc3ccccc3c2F)[C@@H]2CCOC[C@H]21 333930586 ZGHCGNQZDHUTTO-GDBMZVCRSA-N 399.465 1.556 0 50 GDAA CC(C)[C@H](C(=O)N1CC[C@@H](C)S(=O)(=O)CC1)S(=O)(=O)C1CCCCC1 372868518 YWQLJSMDQLUWCY-GDBMZVCRSA-N 393.571 1.794 0 50 GDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 426496736 ALUDURKAAHYGLY-AWEZNQCLSA-N 381.488 1.851 0 50 GDAA FC(F)(F)Cn1nnc(CN2CCN(c3ncnc4ccsc34)CC2)n1 440792596 AAKQAXFKXGAMBO-UHFFFAOYSA-N 384.391 1.562 0 50 GDAA CCc1[nH]nc2c1CN(C(=O)c1ccc(-c3cc(=NC)nc(N)[nH]3)cc1)CC2 534634889 LDMLAQNEQZAPGZ-UHFFFAOYSA-N 377.452 1.673 0 50 GDAA Cc1cccc2[nH]nc(-c3ccc(C(=O)N4CCNC(=O)[C@H]4CCO)cc3)c12 534652966 AKQUHJBACKJFNR-QGZVFWFLSA-N 378.432 1.861 0 50 GDAA CN(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@@H]1CCS(=O)(=O)C1 823668423 IBPNGOPYNFUCNW-CQSZACIVSA-N 375.494 1.562 0 50 GDAA COC1CCN(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)CC1 824301176 VIODMNJPIXNONX-UHFFFAOYSA-N 386.861 1.835 0 50 GDAA Cn1c(O)ncc(C(=O)N2CCc3nnc(-c4ccc(F)cc4)cc3C2)c1=O 952893428 HKLCDFVKNRJGLV-UHFFFAOYSA-N 381.367 1.281 0 50 GDAA Cc1ncsc1CCC(=O)NCC1CCN(Cc2cc(O)nc(O)n2)CC1 1506405653 BANPKXPFPKHGLM-UHFFFAOYSA-N 391.497 1.614 0 50 GDAA Cc1ccc(-c2ccnc(N3CC[C@H](N4CCC(O)CC4)[C@@H](O)C3)n2)c(C)n1 1565513470 VJCRPYJNNVVOAI-PMACEKPBSA-N 383.496 1.552 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1NS(=O)(=O)N(C)C 1565525990 RHNCHSZFRFGPGR-WBVHZDCISA-N 378.498 1.661 0 50 GDAA O=C(Cn1cnnn1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704340830 NJFSKWBENDLOMY-FQEVSTJZSA-N 375.436 1.637 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCC([C@@H](O)CO)CC2)n1 1772700853 GIIUKDSESSSEJQ-HNNXBMFYSA-N 375.425 1.270 0 50 GDAA CC(C)C1=NO[C@H](C(=O)N2CCCN(c3ccc(-c4nccn4C)nn3)CC2)C1 1772804028 CZQMXEPHZSLKQS-KRWDZBQOSA-N 397.483 1.717 0 50 GDAA CN(CC(=O)O)c1ncc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cn1 1772813500 DLYQRPAPXZNMER-UHFFFAOYSA-N 378.392 1.136 0 50 GDAA Cc1cccc(N=c2[nH]c(CN3CCC(C4CCNCC4)CC3)nc(=N)[nH]2)c1 1857671081 MOTJIMCKMHBFNR-UHFFFAOYSA-N 381.528 1.970 0 50 GDAA CN(CCO)C(=O)c1cc2c(s1)CCOC21CCN(c2ncccn2)CC1 1857681735 DKXKLGIRQPNYPR-UHFFFAOYSA-N 388.493 1.671 0 50 GDAA COc1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ncccn2)CC[C@H]3O)cc1 1857683314 VEVAAKSIGOYYFQ-NQIIRXRSSA-N 382.464 1.979 0 50 GDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCCc2ccccc2)C1)c1cnccn1 1857706554 LCFCVOOVGQYXGV-PGRDOPGGSA-N 393.491 1.562 0 50 GDAA COc1cc(C)c(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1C 1857739548 MVUVPQGNOHDHRL-UHFFFAOYSA-N 379.482 1.838 0 50 GDAA NC(=O)CN=c1[nH]c(C2CC2)nc2c1CC[C@]21CCCN(Cc2cnsc2)C1 1875248547 XAQXPMDWAAIJDN-FQEVSTJZSA-N 398.536 1.610 0 50 GDAA NC(=O)c1cn(CC(=O)NCC[C@H](O)COCc2ccccc2)c2ccccc12 1875268768 DRCUCPQGXNGYKZ-KRWDZBQOSA-N 395.459 1.824 0 50 GDAA C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccnc(S(N)(=O)=O)c1 1875339385 HZCRXUKWIHAZPX-NSHDSACASA-N 399.473 1.202 0 50 GDAA CN(C)c1nc2sc(C(=O)N3CC[C@H](C(=O)O)C[C@@H]3C(=O)O)cc2s1 1875357870 ZUBFFFUMOHGVBB-JGVFFNPUSA-N 383.451 1.814 0 50 GDAA CN1CC[C@H](CC(=O)NC[C@H]2[C@@H]3CN(C(=O)c4ccc5[nH]ccc5c4)C[C@H]23)C1=O 1875361051 PCIDYDCEQQJNBA-TVFCKZIOSA-N 394.475 1.471 0 50 GDAA COc1cccc([C@H](C)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)c1F 1875399780 IYOOQGUFJDHZJU-RRFJBIMHSA-N 389.475 1.981 0 50 GDAA Cc1cc(CN[C@@H]2C[C@@H](Cn3cc(C(=O)O)cn3)C[C@H]2O)cnc1-n1cccn1 2325786186 NUPJTOFBLKDPQV-ZTFGCOKTSA-N 396.451 1.400 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@]2(COc3ccccc32)C1 2325796681 CWJHNJZTIVQRRO-UYAOXDASSA-N 399.472 1.669 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc(C(=O)O)cc2)C1=O 2356157584 MHFKQKBBLGLJDU-GOSISDBHSA-N 396.465 1.177 0 50 GDAA Cc1cc(=O)oc2cc(NC(=S)N3CCN(S(C)(=O)=O)CC3)ccc12 1121240 LZUDWJCJGRSSIR-UHFFFAOYSA-N 381.479 1.375 0 50 GDAA Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)C(=O)O)c2ccccc2)c(C)c1 462281899 UMQLMCRWRILMLY-HNNXBMFYSA-N 376.434 1.524 0 50 GDAA COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N(CCO)CCO)cc1 2994564 MYIRHQZUGHXBKL-XDJHFCHBSA-N 384.432 1.279 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nnc4n3CCCC4)C1)CC2 2356165622 LNBSXPILBJFVHI-FQEVSTJZSA-N 381.484 1.591 0 50 GDAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1 4838163 BENCQJNGYYPAJZ-HNNXBMFYSA-N 391.493 1.162 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC(Oc2ccc(F)cc2)CC1 115220854 ABRUOMZZBMFZJH-UHFFFAOYSA-N 397.406 1.899 0 50 GDAA CCc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](c4cnn(C)c4)C3)C2)ncn1 247052895 OPLUGJGODWIFLH-QAPCUYQASA-N 383.500 1.940 0 50 GDAA COc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)c(F)c1 20783215 VVWIEDKRMHKERY-PMACEKPBSA-N 386.471 1.597 0 50 GDAA O=C1OC2(CCN(C(=O)[C@@H]3[C@H]4CNC[C@H]43)CC2)CN1CCOc1ccccc1 102287335 JOFWRAKFPSQAOA-PIIMJCKOSA-N 385.464 1.344 0 50 GDAA COc1ccc(OC)c(NC(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c1 23478816 UDGCQVSCOPVLJW-ZDUSSCGKSA-N 387.440 1.446 0 50 GDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)N(C)CCN(C)C)[C@H](c2ccc(OC)cc2)N1C 67675395 DLCQFLUUYXYDDD-WFXMLNOXSA-N 391.512 1.941 0 50 GDAA CCn1cc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cn1 67459419 HAIVCJPBWKENCE-LJQANCHMSA-N 389.544 1.438 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(Cc3csc(C(C)C)n3)C2=O)nn1 328610910 JPAZJBYIXJUGMB-CYBMUJFWSA-N 378.458 1.372 0 50 GDAA CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 72442114 OSQMCSUXPCZEOT-OAHLLOKOSA-N 387.933 1.560 0 50 GDAA C[C@H](C1CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)CC1)N1CCN(C)CC1 77503344 IULVGQSQOPFXFO-OAHLLOKOSA-N 385.512 1.543 0 50 GDAA Cc1noc(-c2ccccc2C(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 173328207 KWOXHSSYFVTOFA-UHFFFAOYSA-N 392.419 1.501 0 50 GDAA C[C@H]1NC(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)=NN(c2ccccc2)C1=O 363957389 AMPMIXPQHTXPPR-CZUORRHYSA-N 382.424 1.339 0 50 GDAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCO[C@@H](C(=O)O)C2)CC1=O 262909957 CLZSJICKHBTVPT-IINYFYTJSA-N 382.800 1.014 0 50 GDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1ccc(OC)cc1 34065339 LXVYMTZBKWBTOS-IRXDYDNUSA-N 388.468 1.039 0 50 GDAA O=C(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(=O)n(-c2ccc(F)cc2)n1 370741902 QOFSBGRMPVPPFU-MRXNPFEDSA-N 397.410 1.368 0 50 GDAA COCc1noc(C[C@H]2CN(c3nc(C(C)C)nc4c3cnn4C)CCO2)n1 72156393 WYIKZVCHJHCGRG-LBPRGKRZSA-N 387.444 1.464 0 50 GDAA CCN1C[C@@]2(CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)CCC1=O 82139269 ZMBBUKGSCDLGCS-HXUWFJFHSA-N 382.468 1.456 0 50 GDAA Cn1cc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 20044933 XVHREVFPUYCXRD-UHFFFAOYSA-N 388.415 1.945 0 50 GDAA CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)nc2ncnn12 91663372 HREFBCLGSZXVJK-MRXNPFEDSA-N 383.456 1.567 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN([C@@H](C)CN3CCOCC3)CC2)c(C)s1 180480830 DYXXEQCRADQVSP-AWEZNQCLSA-N 387.571 1.392 0 50 GDAA N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 91326997 DNCSEAZLONWGEU-IBGZPJMESA-N 385.516 1.331 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91620654 LKDQZODBOJXGLK-XLIONFOSSA-N 399.495 1.203 0 50 GDAA O=C(c1cccc(=O)[nH]1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95520560 VOXAUWLLQDCIEV-IWMITWMQSA-N 393.443 1.806 0 50 GDAA Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)Nn1cnnc1 95399195 OTWCWXFNVBDAKQ-UHFFFAOYSA-N 379.427 1.619 0 50 GDAA COc1cccc(S(=O)(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1 243956958 CEVAGDMNZLUWTM-IYOUNJFTSA-N 378.450 1.889 0 50 GDAA COc1ccc([C@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1 263588696 XJIRXRYCIJBGJK-HNNXBMFYSA-N 388.420 1.868 0 50 GDAA O=C1CC[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)N1 1940197682 IINAVKKNMHNZOZ-OAHLLOKOSA-N 393.447 1.329 0 50 GDAA CCN(Cc1ccncc1)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 584888448 XMSWRUBBNJYZAK-UHFFFAOYSA-N 375.473 1.530 0 50 GDAA CNC(=O)CN(C[C@H](c1ccnn1C)C(C)C)C(=O)c1ccnn1CC(F)F 1875303688 IMGHNONOLSZUHT-ZDUSSCGKSA-N 396.442 1.510 0 50 GDAA O=C1CN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)[C@@H](c2ccccc2)CN1 886845717 LBMYEIQPBAFXPG-RBUKOAKNSA-N 392.459 1.843 0 50 GDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 272467510 PHDZECJQCZKSIG-SGIREYDYSA-N 393.871 1.227 0 50 GDAA CCOCCCC(=O)N1CC[C@]2(NC(=O)c3ccc(OC)nn3)CCC[C@H]12 1775991626 LIAJSFXHOIWELY-HNAYVOBHSA-N 376.457 1.555 0 50 GDAA Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C(F)(F)F)o1 274630969 WRTYUWWAODZPKR-UHFFFAOYSA-N 387.358 1.514 0 50 GDAA Cc1nc([C@H]2CCN(CC(=O)NCC(=O)N[C@H](C)c3ccc(F)cc3)C2)n[nH]1 412043213 PBIBBIKXDQCTHW-DOMZBBRYSA-N 388.447 1.035 0 50 GDAA O=C(c1cncnc1O)N1C[C@H]2COC[C@@H]1CN(Cc1cc3ccccc3o1)C2 1704304458 FAYSWLXZEGVSKB-HOCLYGCPSA-N 394.431 1.901 0 50 GDAA CCN(Cc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 12303557 YMYCLKXCKOTBQB-INIZCTEOSA-N 381.502 1.221 0 50 GDAA COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14733134 LFKVJBLLAIYGFN-DBVUQKKJSA-N 395.459 1.201 0 50 GDAA O=C1CN([C@@H]2c3ccccc3C3(CCN(Cc4ccccn4)CC3)[C@H]2O)CCN1 19641785 JBISQVRYVKBHSG-YADHBBJMSA-N 392.503 1.463 0 50 GDAA CCCn1nc(CC(=O)NC)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857670631 CKMBPNUWKGCKQB-CQSZACIVSA-N 397.483 1.972 0 50 GDAA Cc1nn(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2c(C)noc2C)c(C)c1C 1857691357 HQACDUIFHYMRDG-IRXDYDNUSA-N 385.468 1.929 0 50 GDAA Cn1cc(S(=O)(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cn1 1857721497 RQUCFYDSBHPMQV-OALUTQOASA-N 390.509 1.647 0 50 GDAA C[C@H]1CN2C[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]2CO1 1857733351 GOFLANAJMWRADC-TUAOUCFPSA-N 380.388 1.725 0 50 GDAA COc1ccccc1OC1CCN(C[C@@H]2COCCN(S(C)(=O)=O)C2)CC1 1857734902 XXZIGGBHRAZBDR-INIZCTEOSA-N 398.525 1.446 0 50 GDAA Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 808269727 JLRNEJKLHWJQIY-HNNXBMFYSA-N 386.495 1.173 0 50 GDAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 782973 LPSHCIJBDNXHEM-UHFFFAOYSA-N 390.461 1.851 0 50 GDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2cnc3cccnn23)CCCCN1 2100533057 XLAGWAJQXIZSJD-KRWDZBQOSA-N 398.511 1.716 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccccc1-n1ccnn1 2325785820 ORMWEBPVMKGOMO-SRCQZFHVSA-N 386.843 1.687 0 50 GDAA CC1(C)CO[C@H](C(=O)N2C[C@H](NC(=O)[C@]34C[C@H]3COC43CCC3)[C@H](F)C2)C1 2325838867 BDNABWVXKCIIJC-MTCCJSQRSA-N 380.460 1.426 0 50 GDAA CCOc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 848422 HFBNIJOVWGRREA-UHFFFAOYSA-N 386.456 1.687 0 50 GDAA CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 850156 PVLNDSRCHYMNSH-FQEVSTJZSA-N 386.404 1.867 0 50 GDAA biogenic O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2 2502671 HZJDITLGHNDGFM-UHFFFAOYSA-N 388.401 1.631 0 50 GDAA O=c1cc(CN2CC[C@](O)(c3ccccc3)[C@@H](O)C2)nc2ccc(Cl)cn12 2356150197 QOPGIWVWSPVFIE-PXNSSMCTSA-N 385.851 1.802 0 50 GDAA COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 10542079 BFRNTBBEVDHYGI-HNNXBMFYSA-N 396.509 1.870 0 50 GDAA CCOC(=O)c1cccnc1N1CCN(C2CCN(C)CC2)[C@@H](CCO)C1 106977644 PPWRNFCTJULRSD-KRWDZBQOSA-N 376.501 1.226 0 50 GDAA O=C(C[C@@H]1CCC(=O)N1)NCc1cccnc1N1CCN(c2ccccn2)CC1 67675399 YTOZBLGKBZODHV-KRWDZBQOSA-N 394.479 1.088 0 50 GDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](N1CCN(C)CC1)CC2 23353412 NMTCRXNXPXGMPP-GOSISDBHSA-N 381.524 1.590 0 50 GDAA COCCn1cc(C[C@H]2N=C(O)N(Cc3csc(C(C)(C)C)n3)C2=O)nn1 328609223 CMLKVKNQOVASFS-CYBMUJFWSA-N 392.485 1.546 0 50 GDAA CCc1nsc(N2CCN(C(=O)CNC(=O)CC3CCCCC3)CC2)n1 174248990 OAYBLGZYFYGXSY-UHFFFAOYSA-N 379.530 1.836 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCNCC1 71707872 JVSGMXRMWGINDR-HXUWFJFHSA-N 385.556 1.580 0 50 GDAA Cc1ccc(CN2CCN(Cc3cccc(O)c3)[C@H]3CS(=O)(=O)C[C@H]32)o1 72426695 DQNZSWGCMNVUBC-RBUKOAKNSA-N 376.478 1.777 0 50 GDAA Cn1cc(-c2ccccc2CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 378294370 QIAHSFDDQCYUMH-LJQANCHMSA-N 377.448 1.983 0 50 GDAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1 71764613 XKSZBUNWTWEEMM-AWEZNQCLSA-N 389.427 1.588 0 50 GDAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(N2CCC[C@H](CO)C2)CC1 43131176 BGFYTQSSEMGNDS-CVEARBPZSA-N 390.480 1.878 0 50 GDAA COc1c(F)cccc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 220275118 FPIPQQXNVWUYMJ-QGZVFWFLSA-N 376.432 1.558 0 50 GDAA CCNC(=O)CSc1nnc(C2CCNCC2)n1-c1cccc(OC)c1 426667490 NNIUPRUXWUMFBR-UHFFFAOYSA-N 375.498 1.971 0 50 GDAA Cc1ncc(S(C)(=O)=O)c(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 95355887 FTGCTUJIEBNZNY-GOSISDBHSA-N 380.514 1.806 0 50 GDAA Cc1cc(C)cc(N2CCC(N3C[C@H](CO)[C@H](CN(C)CCO)C3)CC2)c1 91380783 DXHPMOAVGCMNFA-WOJBJXKFSA-N 375.557 1.737 0 50 GDAA Cc1cc(C)c2[nH]c(CN3CCC4(CC3)NC(=O)C[C@H]4C(=O)O)cc(=O)c2c1 95386958 CGUJPYJJPACSJM-INIZCTEOSA-N 383.448 1.700 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)c1C 91664881 GQCXLAZCHCQFDG-JKSUJKDBSA-N 377.489 1.457 0 50 GDAA CSCc1noc(CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 95386242 ALYSYLLREPADAK-UHFFFAOYSA-N 382.467 1.303 0 50 GDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1nc(C(C)C)no1)CCN2C 95378622 DYDNMEXLBFLSIT-IBGZPJMESA-N 379.505 1.338 0 50 GDAA COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC 95616601 IENZQIKPVFGBNW-UHFFFAOYSA-N 383.408 1.785 0 50 GDAA biogenic,fda CCN(CCO)C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1CO 91645635 NFDIZEQJNAAWKK-QZTJIDSGSA-N 386.496 1.380 0 50 GDAA COc1ccccc1CN1C(=O)[C@@H](CC(=O)NCCn2nc(C)cc2C)N=C1O 252533128 FXJNHOSLSGCUSI-MRXNPFEDSA-N 399.451 1.340 0 50 GDAA CC(C)[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1nccn1C 534650049 JZOAXPGMLKXKAJ-KRWDZBQOSA-N 376.505 1.067 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCCOC2=O)[C@H]1c1ccccc1 1940193671 CXYBJJMFISOXDE-MSOLQXFVSA-N 389.452 1.322 0 50 GDAA O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)Cc1noc3ccccc13)C2 65428386 JCXUZZODMIZVQC-UHFFFAOYSA-N 379.420 1.892 0 50 GDAA CSCCN1CCC(NC(=O)N2CCN(Cc3ccccn3)CC2)CC1 584892993 JETQVPACKNIKMS-UHFFFAOYSA-N 377.558 1.736 0 50 GDAA CSC[C@H]1C[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](C)O)C1 1875313263 NWYKZXPXJJYIOC-TZQJONAQSA-N 390.502 1.111 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)CC1 1875365361 FHDRKYJULRUFCB-INIZCTEOSA-N 384.436 1.885 0 50 GDAA CN(C)CC(=O)Nc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 952990968 YRKNPACMMSSCNJ-UHFFFAOYSA-N 375.450 1.843 0 50 GDAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952967130 GSQRTGXWVXVPDE-CQSZACIVSA-N 387.484 1.160 0 50 GDAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)o1 1775959207 NHNACEOBCLOEOT-GDBMZVCRSA-N 397.435 1.445 0 50 GDAA COc1c(C(=O)N2CC[C@]3(NC(=O)[C@H](C)C(C)(F)F)CCC[C@@H]23)cnn1C 1775993389 ZSYWBWFAZLCAGJ-WHWRDJHUSA-N 384.427 1.973 0 50 GDAA CN(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)cc1 1565512277 VUCWDFRUMVLHDM-QAPCUYQASA-N 379.464 1.919 0 50 GDAA O=C(CCCN1CCCC1=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565509156 AJDPFSWMSLCTPS-ROUUACIJSA-N 376.453 1.234 0 50 GDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CN1CCOc3ccccc3C1)C2 1073278872 HMKCKRZGWBWCRD-AEFFLSMTSA-N 386.496 1.485 0 50 GDAA CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[C@H](O)C3)c2)n1 408521012 FNUJJDYWTZKICM-HNNXBMFYSA-N 392.481 1.862 0 50 GDAA COC(=O)CC1(NCC(=O)N(C)C2CCC(C)CC2)CCS(=O)(=O)CC1 225488961 AWGDNDVQULQCLR-UHFFFAOYSA-N 388.530 1.124 0 50 GDAA Cc1nn(C)c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1-c1ccccc1 1506405836 XCZBMJAEGUGNCQ-OAHLLOKOSA-N 376.482 1.453 0 50 GDAA Cc1ccc(NC(=O)c2ccc(-c3nnn(C)n3)cc2)cc1NC(=O)CN(C)C 1506421780 MWMMQELLHPNFRO-UHFFFAOYSA-N 393.451 1.938 0 50 GDAA CC[C@@H](C(=O)N1CCCN(C(=O)CCCS(N)(=O)=O)CC1)c1ccccc1 1529119487 IJOMZVNTQWJLBN-QGZVFWFLSA-N 395.525 1.310 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCn2cccn2)cc1OC 1529095877 YAYDVGSQSDSFOH-IEBWSBKVSA-N 375.425 1.251 0 50 GDAA O=C(C1CCOCC1)N1CCCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1 1529160025 WGSFAUANHCPUEL-KRWDZBQOSA-N 380.872 1.861 0 50 GDAA CN(C)C(=O)CN1CC2(CCN(C3Cc4ccccc4C3)CC2)OCCC1=O 1704331037 JPQTZIWCOHPCHZ-UHFFFAOYSA-N 385.508 1.326 0 50 GDAA CN1CC[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C[C@@H]2C1=O 1772810468 HXPOEELPTRHHPB-MFKMUULPSA-N 378.372 1.684 0 50 GDAA COc1cccc(CCC(=O)N2CCCN(c3cc(OC)nc(N)n3)CC2)c1 1772811711 XWJQDXNNEBMCKS-UHFFFAOYSA-N 385.468 1.748 0 50 GDAA COc1ccccc1C(=O)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]2C1 14747773 LTMBLJGKJDMBMV-ZWKOTPCHSA-N 393.443 1.089 0 50 GDAA Cc1ccccc1[C@@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 19225173 DLSRQGLTGMQTCT-GOSISDBHSA-N 398.511 1.610 0 50 GDAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 169301341 AWDBPBCRHQVNHE-UHFFFAOYSA-N 377.422 1.299 0 50 GDAA O=C(CN1CCCCCC1)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857709607 HTYSLQYWKGKSNP-XKGFGPFHSA-N 385.512 1.453 0 50 GDAA Cc1nc(O)cc(C2CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)n1 1857729044 SEEFHFJCUFLYEO-ZDUSSCGKSA-N 387.465 1.706 0 50 GDAA COC(=O)c1cccc(OCCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)c1 1857738010 NGSWQUKSAYEWDB-ZDUSSCGKSA-N 389.433 1.478 0 50 GDAA NC(=O)c1cccc(CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 112506078 MTERHJDNBNOPGN-GOSISDBHSA-N 396.495 1.171 0 50 GDAA OC[C@H]1CCCN1c1cc(N2CCN(c3ncnc4ccsc34)CC2)ncn1 266267633 QLPLICZWCVZLJX-CQSZACIVSA-N 397.508 1.769 0 50 GDAA CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 900666372 UJRBPTRCFWBUQV-PBFPGSCMSA-N 382.302 1.599 0 50 GDAA Cc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)c3ccncc3F)[C@H](O)C2)cs1 2100557679 YXYIPURRHZLVRS-IUIKQTSFSA-N 392.456 1.561 0 50 GDAA COc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 18250400 JSQPCLAEDSYCFI-MRXNPFEDSA-N 383.404 1.378 0 50 GDAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccccc2)CC1 827998 RKWDUZHTHYUSER-UHFFFAOYSA-N 377.400 1.267 0 50 GDAA O=C(NCCS(=O)(=O)c1ccccc1F)NC[C@@H]1COc2ccccc2O1 2325728432 CRSVZFOVMSVRMX-CYBMUJFWSA-N 394.424 1.739 0 50 GDAA COc1ccnc(N2CCn3ncc([S@@](C)(=O)=NC(=O)CC4CC4)c3C2)n1 2325784716 DUBXZXQQFSHPLM-HHHXNRCGSA-N 390.469 1.485 0 50 GDAA Cc1[nH]nc(CN2C[C@@H](CC(=O)N[C@]3(C)CCN(C)C3)OCC23CCC3)c1C 2325785349 QYGLLGXSTQMCAZ-YLJYHZDGSA-N 389.544 1.751 0 50 GDAA O=C1N[C@H](Cc2csc(Br)c2)C(=O)N2C[C@H](OC(F)F)C[C@@H]12 2325806708 BVJVBJLZGWQCBD-HLTSFMKQSA-N 395.225 1.760 0 50 GDAA CN(C)c1nc(N(C)C)nc(N2CCN(c3nsc4ccccc34)CC2)n1 2325827052 UEUOZTIMSLKNFD-UHFFFAOYSA-N 384.513 1.940 0 50 GDAA Cc1nc(CN2CCC(C(=O)N[C@H](C(=O)O)C3(O)CCCCC3)CC2)cs1 2325829950 WXDPEHJXBBZUBX-MRXNPFEDSA-N 395.525 1.928 0 50 GDAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2cc(O)ccc2O)c2ccccc21 915225 FIBCAYWMFRHQPK-HXUWFJFHSA-N 385.372 1.468 0 50 GDAA COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1 2353060 LXFFHPBGMYZMHO-GFCCVEGCSA-N 397.435 1.282 0 50 GDAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@]12CCCN(CCO)C2=O 2356134135 AANPFSCRVWTCNY-HXUWFJFHSA-N 375.469 1.465 0 50 GDAA CCCn1nc(N(CCCc2cnc3ncnn3c2)S(C)(=O)=O)cc1C 2356142279 LVLBINKUJWSLHO-UHFFFAOYSA-N 377.474 1.438 0 50 GDAA COCCN1CCN(C(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)CC1 2356147177 LMONJPQHMDOIPX-NRJQMVOHSA-N 398.507 1.109 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cccc(OC)c2)C1=O 2356148858 WVQMSMNOZVWNPR-GOSISDBHSA-N 382.482 1.487 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)[C@H]1O 2356155693 JMVFZZHXHHOTPJ-VQTJNVASSA-N 385.464 1.438 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2c(C)nn(C)c2C)C1=O 2356164604 ZKTSSSZUMSYMIG-FQEVSTJZSA-N 376.501 1.600 0 50 GDAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 4335194 GJXZOLWQFUFEFK-UHFFFAOYSA-N 398.481 1.740 0 50 GDAA CCOC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55340942 PFTVHBVYHBZFLF-OAHLLOKOSA-N 399.850 1.239 0 50 GDAA COc1cc2ncn(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)c2cc1OC 20724494 PICVWTMBFWYPSC-UHFFFAOYSA-N 379.376 1.351 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)C2(N)CC2)CC1 67846739 GXODKUDXRAWAGY-UHFFFAOYSA-N 381.480 1.524 0 50 GDAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 24611211 BTUIMUOFFLPGJA-UHFFFAOYSA-N 379.526 1.311 0 50 GDAA Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)c1 65364995 VLCMCDDAUZMGGR-CQSZACIVSA-N 378.454 1.333 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H](Cn3cc(C(=O)O)nn3)C2)cnn1-c1ccccn1 67727271 XJNXFFCDBDDQOE-CQSZACIVSA-N 395.423 1.418 0 50 GDAA Cc1cc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)c2ccc(Cl)cc2n1 20784751 WFUPQFHSWJDUBH-UHFFFAOYSA-N 384.827 1.913 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN3CCC(CO)CC3)C2=O)c1OC 67868431 DWMATQJNAUVYHU-NRFANRHFSA-N 392.496 1.262 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1ccc(C)nc1)CO2 71747455 TVQSJSUBQQCLTP-QGZVFWFLSA-N 398.463 1.992 0 50 GDAA Cc1ccc(CN2CCN(C(=O)CCc3csc(N)n3)C[C@H]2CCO)o1 72448171 PTEXOAUBFQVOBR-OAHLLOKOSA-N 378.498 1.655 0 50 GDAA CCNC(=O)c1ccc(N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)nn1 478424416 BVMGBAVFVUQVAL-HNNXBMFYSA-N 399.499 1.166 0 50 GDAA CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 366498654 UHLUEJFXQXTYCD-IAQYHMDHSA-N 398.389 1.357 0 50 GDAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72152517 GRJATVXTFAGHLJ-NRFANRHFSA-N 395.503 1.885 0 50 GDAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 367398095 CLISBNPLLLRLGT-GFCCVEGCSA-N 375.441 1.283 0 50 GDAA C[C@@H](C(N)=O)N(C)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 77320105 UTXBFPXJQDRONV-ZDUSSCGKSA-N 393.447 1.159 0 50 GDAA Cc1noc([C@H]2CN(C(=O)NCc3cn(C)nc3C(F)(F)F)CCN2C)n1 285563037 PIMMHARQFAXOCX-LLVKDONJSA-N 387.366 1.329 0 50 GDAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 215677433 XPMOURHMJHWTQY-UHFFFAOYSA-N 381.479 1.402 0 50 GDAA CNC(=O)[C@H]1CCCCN1C(=O)c1nnn(Cc2ccc(F)cc2F)c1C 241139454 JRASOSZIWHDKNI-OAHLLOKOSA-N 377.395 1.654 0 50 GDAA C[C@]1(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)CCS(=O)(=O)C1 241775950 RQPCKVOFUPSSJZ-PBHICJAKSA-N 386.539 1.423 0 50 GDAA CS(=O)(=O)N1CC(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 458648405 ABCGPWSDMMGUCH-MRXNPFEDSA-N 391.497 1.691 0 50 GDAA Cc1csc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)n1 77385434 DBOWRZREJOUVEZ-JQZVDIJISA-N 375.494 1.990 0 50 GDAA COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccco3)n2)cc1OC 20259284 WNQZDBLYVMYECK-UHFFFAOYSA-N 386.364 1.507 0 50 GDAA Cc1cc(N2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)nc2ccccc12 20614845 KIBAIAMCWAUYBU-UHFFFAOYSA-N 379.420 1.937 0 50 GDAA CSCc1ccc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)o1 91440816 ZFWWGEPBZPXPPS-FZKQIMNGSA-N 381.498 1.723 0 50 GDAA CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@](C)(C(N)=O)c2ccccc2)cc1 181099932 ZZMHWKRIAOCNDJ-FQEVSTJZSA-N 388.489 1.928 0 50 GDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H](C)c3nc(N)n[nH]3)cs2)n1 426521173 FTFLJXXSZVKIPM-LURJTMIESA-N 386.363 1.847 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1 426580752 LAJAGEWULFDCLQ-QGZVFWFLSA-N 379.420 1.990 0 50 GDAA C[C@H](O)CNC(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 95505889 WMKDEXIBZUKMNP-HNNXBMFYSA-N 383.448 1.876 0 50 GDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)s1 426465185 KOYMARBAIYKMRJ-AWEZNQCLSA-N 376.530 1.899 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1-n1ccnc1 95385203 IYATXPUXARRWEZ-UHFFFAOYSA-N 377.452 1.101 0 50 GDAA Cc1cccc(-n2nc(CC3CCN(C)CC3)nc2CNS(C)(=O)=O)c1 96131089 WJIPOQUUURWLLZ-UHFFFAOYSA-N 377.514 1.509 0 50 GDAA O=C(CN1CCCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 92036900 MZGACFTYQNYCDX-UHFFFAOYSA-N 385.512 1.508 0 50 GDAA O=C1CCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CN1Cc1ccccc1 91624565 KYIZVZBBACSXCF-UHFFFAOYSA-N 380.448 1.815 0 50 GDAA CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)O 248097393 YWFQLWIVTMRHDH-MTSZKFMLSA-N 383.533 1.898 0 50 GDAA biogenic C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)C2=O 299105640 QQBULRPKDVGQHK-BTYIYWSLSA-N 395.463 1.989 0 50 GDAA Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1csc(CS(C)(=O)=O)n1 184743253 XCKARWJKQWRLMR-INIZCTEOSA-N 397.497 1.808 0 50 GDAA O=C(c1n[nH]c2c1CCCC2)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 363090033 QTRDVBWSWGKLIN-UHFFFAOYSA-N 395.529 1.167 0 50 GDAA COCC(=O)N1CCCN(C(=O)c2cccc(-c3ccc(OC)nn3)c2)CC1 299775434 JTHYPWSOMPNRMB-UHFFFAOYSA-N 384.436 1.473 0 50 GDAA CCc1ccc(CN2CCC3(CC2)CN(S(=O)(=O)N(C)C)CCO3)nc1 823527608 SNDPTAZLESUXAB-UHFFFAOYSA-N 382.530 1.117 0 50 GDAA COc1ccccc1-c1ncc(CNCCCN2CCC[C@@H](C(N)=O)C2)cn1 490892281 GADNOBMEAVZRST-QGZVFWFLSA-N 383.496 1.829 0 50 GDAA Cc1nc(C(=O)NCC2(C3(O)CCC3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403890 JBPKDYGORHTIHS-MRXNPFEDSA-N 387.528 1.659 0 50 GDAA CCN1C(=O)c2ccc(C(=O)NCc3ccccc3C(=O)O)cc2S1(=O)=O 1875354555 IWZYUSGZOKHCGC-UHFFFAOYSA-N 388.401 1.479 0 50 GDAA COc1cc(C(=O)O[C@H](C)c2cnnn2C)cc(NS(C)(=O)=O)c1OC 1875343094 PUOFAIOKILIQMO-SECBINFHSA-N 384.414 1.122 0 50 GDAA NC(=O)c1cnc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)s1 1875337453 UWDARNVEBGFDTI-UHFFFAOYSA-N 379.389 1.759 0 50 GDAA COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1Cl 1875399237 SIIOPYTWLYVARK-BPLDGKMQSA-N 399.900 1.972 0 50 GDAA O=C(O)c1cccc(-c2cn(-c3ccccc3CNC(=O)[C@H]3CCOC3)nn2)n1 1875327145 RYJHBCBZOCZQOT-AWEZNQCLSA-N 393.403 1.680 0 50 GDAA Cc1nc(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)c2ccnc-2[nH]1 1875301783 UQEVLLORMLIHMZ-UHFFFAOYSA-N 384.461 1.862 0 50 GDAA COc1cc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ncn1 273018608 WMULYDJDGCERIP-UHFFFAOYSA-N 388.403 1.413 0 50 GDAA Cc1cc(C)n(CCC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)n1 1318729222 FNOUONCWKRWMRD-OAHLLOKOSA-N 379.486 1.702 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2nccc(C(F)(F)F)n2)[C@@H]1c1cnn(C)c1 275358193 VCQOVFKAHHGUGN-XHDPSFHLSA-N 398.389 1.877 0 50 GDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccnc(OCC(F)F)c2)cn1 277460362 KLXWRMSYJVFJIQ-WHDAMIPWSA-N 384.408 1.405 0 50 GDAA Cc1ccc(C[C@@H](C)C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1 225386633 SDIGPLRMWHCIOA-GFCCVEGCSA-N 396.490 1.337 0 50 GDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529119370 VMUHGMRXROOJDC-UXHICEINSA-N 392.415 1.951 0 50 GDAA CCOc1ccccc1-c1nnc(NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)o1 1529155315 QXFXOXFXPGWVEK-NSHDSACASA-N 384.396 1.232 0 50 GDAA CCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1ccc(C(C)C)cc1 1772805386 MTTFQMHMGCRHKX-DLBZAZTESA-N 380.510 1.551 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2nonc2C)CC1 12385882 YUXNLIKVLPHAOL-INIZCTEOSA-N 377.489 1.611 0 50 GDAA CC(=O)c1cccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)c1 13669347 SEKGNINQBBKYCT-UHFFFAOYSA-N 381.498 1.257 0 50 GDAA CC[C@H]1C(=O)NCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15070334 ACLACEDXHQCGMT-IBGZPJMESA-N 399.491 1.817 0 50 GDAA CC1=NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2N1CC(C)C 15867726 SUPTVNKFFKLUDU-UHFFFAOYSA-N 378.498 1.657 0 50 GDAA COc1ccc([C@H]2NC(=O)N(CC(=O)N3CCCCCC3)C3=C2C(=O)OC3)cc1 169760833 LVEGAHTTZHOLJD-LJQANCHMSA-N 399.447 1.975 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 206248812 CFYITNHNEYEBAZ-MRXNPFEDSA-N 396.403 1.243 0 50 GDAA CC[C@@]12COC(=O)N1CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 1857702645 FMLRFGNBRQONEE-LJQANCHMSA-N 378.425 1.698 0 50 GDAA CC[C@@]1(C(=O)NCCc2ncnn2C)C[C@@H]2CC[C@H]1N2Cc1ccnc(OC)c1 1857712925 XBHABNYDOJLVHG-CSODHUTKSA-N 398.511 1.711 0 50 GDAA COc1cc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)nc(OC)n1 1857713530 ZZRWMLPQAJUGBR-KXBFYZLASA-N 377.416 1.425 0 50 GDAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCC(N)CC4)CC3=O)sc2c1 1857714701 HYBWNMPTGMKVJU-GFCCVEGCSA-N 388.493 1.998 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O 363286650 ODUZDANKLHZGRK-YOEHRIQHSA-N 381.432 1.735 0 50 GDAA Nc1ncc(C(=O)N2C[C@H]3COC[C@@H]2CN(Cc2ccc(F)cc2)C3)s1 1704311502 MGIRZPQJRVNSCC-ZFWWWQNUSA-N 376.457 1.837 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2c(C)n[nH]c2C)C[C@H]1NC(=O)NC(C)(C)C 2100477919 JTRWCKFXSKIZDU-NUEKZKHPSA-N 379.505 1.924 0 50 GDAA Cn1ccnc1[C@H]1CCN(C(=O)Nc2ncc(C[C@@H]3COCCO3)s2)C1 2325769470 HKXOPSOHHJLTDV-QWHCGFSZSA-N 377.470 1.856 0 50 GDAA O=C(NCc1cccc(N2CCCCC2=O)c1)C(=O)N1CC[C@H](O)C12CCC2 2325790859 QUDWCNTXUBJDEQ-KRWDZBQOSA-N 385.464 1.336 0 50 GDAA CC(C)(C)OC(=O)Cn1cnc(NC(=O)Nc2cccc(OCC(N)=O)c2)c1 2325869091 YHLMUXRMADDBBI-UHFFFAOYSA-N 389.412 1.733 0 50 GDAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1 645847 HJQUMVCOYQKHEW-UHFFFAOYSA-N 386.433 1.436 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1 811949 RDHLLMJTHXLSSP-UHFFFAOYSA-N 380.422 1.444 0 50 GDAA O=C(NCCOC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 2313440 HLEFWZJJGOIPBW-ROUUACIJSA-N 385.372 1.326 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N[C@H](c1ccncc1)c1ccc(F)cc1 11665017 KGKFFYWKEMIAOI-FQEVSTJZSA-N 395.442 1.709 0 50 GDAA O=C(Cc1ccc(Cl)cc1)NCCn1cc(C(=O)N2CCSCC2)nn1 12279991 KOJVQVWGQMVELC-UHFFFAOYSA-N 393.900 1.479 0 50 GDAA COCc1cc(CN2CCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3C2)ccc1OC 14542775 RJYOKQCJTJULKO-ZWKOTPCHSA-N 389.496 1.399 0 50 GDAA Cn1cc(CN2C[C@@H](OCc3cccnc3)CN(Cc3ccco3)CC2=O)cn1 14747911 SGWZZWUDEWKOGY-FQEVSTJZSA-N 395.463 1.838 0 50 GDAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN([C@H](C)CCn1cccn1)CC2 14749018 LUZGSDFGZPHNPN-QGZVFWFLSA-N 391.516 1.815 0 50 GDAA O=C(NCCN1CCOCC1)C1CCN(C(=O)c2ccccc2Cl)CC1 16647968 FMBGPPZFXXCYCP-UHFFFAOYSA-N 379.888 1.641 0 50 GDAA C[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3cnn(C)c3)c2C(N)=O)C1 17076829 MWJXCJTTZPGECJ-NSHDSACASA-N 375.498 1.776 0 50 GDAA O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20452387 YYCSPZSQGTWTIQ-MRXNPFEDSA-N 385.464 1.461 0 50 GDAA COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc1 20590046 NSFZGLFUONQPRW-INIZCTEOSA-N 382.464 1.512 0 50 GDAA CCN1CCN(C2(C(=O)N[C@@H](C)CCn3cccn3)Cc3ccccc3C2)CC1 20777659 YLAURVIRQWKRAM-IBGZPJMESA-N 395.551 1.953 0 50 GDAA O=C1CN(C[C@H](O)CO)C[C@H](OCc2ccccc2)CN1C1CCCCC1 39344556 ZJXGIJJWKHLIQW-PMACEKPBSA-N 376.497 1.402 0 50 GDAA CCn1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1C 39412886 BGYJXJWOPJCADU-OAQYLSRUSA-N 377.577 1.953 0 50 GDAA COC(=O)CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 42437823 BXLAHEUZSMCRLM-UHFFFAOYSA-N 393.509 1.966 0 50 GDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCN(C)CC3)c2)CC1 65364634 RDQOIDVWZXCSQZ-UHFFFAOYSA-N 379.526 1.931 0 50 GDAA CCn1ccnc1CN1CCC(N2CCC[C@H](C(=O)NCCOC)C2)CC1 67741435 BRZFTWUIXRXEIA-KRWDZBQOSA-N 377.533 1.342 0 50 GDAA Cc1ccc(CN2CCN(C[C@@]3(O)CCCN(CC4CC4)C3=O)CC2=O)cc1 67772190 SWDIBMAXTIWACU-QFIPXVFZSA-N 385.508 1.403 0 50 GDAA CCc1cc(N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)nc(N2CCCC2)n1 67773772 SFDBAUVIPNUYHW-AWEZNQCLSA-N 385.472 1.846 0 50 GDAA Cc1ccccc1[C@H]1[C@@H](C(=O)NCCN2CCOCC2)C[C@@](C)(C(=O)O)N1C 67820791 FKKDDPQNEAEPTD-WFXMLNOXSA-N 389.496 1.280 0 50 GDAA O=C(c1ccc(-n2cnnc2)cc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91877031 BFQZOBACDVZKLY-MAUKXSAKSA-N 375.436 1.798 0 50 GDAA CC[C@@H](Cn1ccnc1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95374081 SZVSEZXNRILORA-HNNXBMFYSA-N 376.482 1.923 0 50 GDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)Nc2cccc(-n3cncn3)c2)C1 95496709 IZCCOQGTPDKTTK-ZDUSSCGKSA-N 382.428 1.300 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1c(C)noc1C)CC2 95529545 RETSHMMUSYYNOZ-UHFFFAOYSA-N 387.440 1.177 0 50 GDAA C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 129982620 XSGQIKBRUKIRFA-FSOZDZJMSA-N 397.519 1.920 0 50 GDAA Cc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)n2)cc1 151082518 AUUMAPPRGBRTRY-UHFFFAOYSA-N 376.420 1.915 0 50 GDAA COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H]3CO)ncn1)C[C@@H]2O 169983602 FQZBALRCYZECSB-HIFRSBDPSA-N 386.452 1.509 0 50 GDAA CCc1nn(C)c(OC)c1CNC(=O)c1nnn(-c2ccc(OC)cc2)c1C 179481378 FMBYPNDJYWRAEP-UHFFFAOYSA-N 384.440 1.819 0 50 GDAA O=C(NC[C@H]1COCCO1)c1nnn(Cc2ccccc2F)c1-c1ccncc1 206644057 DYSUTGQZLCWCIN-INIZCTEOSA-N 397.410 1.673 0 50 GDAA COc1ccccc1[C@H]1CN(C(=O)CSc2nncn2C)C[C@@H]1C(=O)O 212563711 LJEWACFDZITYTO-OLZOCXBDSA-N 376.438 1.243 0 50 GDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)cc1Cl 220343342 FJCGHMOYXSNZDZ-HZPDHXFCSA-N 376.906 1.662 0 50 GDAA COc1ccccc1OC[C@@H](O)COC[C@@H](O)COc1ccccc1OC 257354829 AFKSAYSHFVIMCI-IYBDPMFKSA-N 378.421 1.900 0 50 GDAA in-vitro Cn1ccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 265810722 MERBHPDJOQFSFC-SFHVURJKSA-N 381.480 1.302 0 50 GDAA COc1cc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)ccc1OC(F)F 277599520 LBJJNNOLXPUVTD-JGTBNHKDSA-N 399.419 1.976 0 50 GDAA COc1cccc([C@@H](C)C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 328634224 TUPAZDNKWUTDRT-DYVFJYSZSA-N 377.466 1.531 0 50 GDAA Cc1ccc(C(=O)NCCNC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 363219910 AREDBLRPLAQQLL-LJQANCHMSA-N 387.528 1.146 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 374622582 ZULCGVJCDBSVSA-FQEVSTJZSA-N 388.489 1.761 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cnc2c(c1)CCC2 426443020 AHRVQZPOMPKKDH-NRFANRHFSA-N 392.503 1.886 0 50 GDAA O=C(NCc1nc(-c2ccccc2)no1)N1CCC(N2CCC[C@@H](O)C2)CC1 426517991 USZQQKOVOYHTRV-QGZVFWFLSA-N 385.468 1.867 0 50 GDAA COc1ccccc1CN1CCN(C(=O)NC(C)(C)CN2CCOCC2)CC1 426667146 UCUCTRNSQWAIKQ-UHFFFAOYSA-N 390.528 1.633 0 50 GDAA Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCO2)c1 446270837 UOCNZLAOZWMRJY-QGZVFWFLSA-N 386.456 1.356 0 50 GDAA O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 891014580 WNURRFRIAXXRBD-CYBMUJFWSA-N 380.853 1.923 0 50 GDAA Cc1cccc(NC(=O)CC(=O)N2CCC[C@@H](CNC(=O)c3ccnn3C)C2)c1 952872306 NXIALOGMVUUPOY-INIZCTEOSA-N 397.479 1.726 0 50 GDAA CCc1c(C)noc1NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 1506396053 GPZABUGAPJIKQC-KYFSNAEOSA-N 394.431 1.861 0 50 GDAA Nc1nccc(N2CCC(CNC(=O)c3ccc(-n4ccnc4)cc3)CC2)n1 1506422380 AORRSKDDWHJNOV-UHFFFAOYSA-N 377.452 1.891 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccnc(N(C)C)n4)CC3)n[nH]c21 1857528678 XBUVFYMSGNNUTP-OLZOCXBDSA-N 385.472 1.250 0 50 GDAA N=c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(Cc3ccc(F)cc3)CCO2)[nH][nH]1 1857667229 LRXHMRWVZHRJAY-LFUKPOHLSA-N 399.470 2.000 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc4ccccc4s3)C[C@H]2CO1 1857703975 YEMPXOAREIKABP-PMPSAXMXSA-N 387.505 1.951 0 50 GDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)C1(CO)CCOCC1 1857724901 RHNUEEZPPHAJTK-FGTMMUONSA-N 394.899 1.760 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CC[C@H]1NC(=O)c1cnc[nH]1 1875248502 UMVZXOONLHHFBX-FDQGKXFDSA-N 383.452 1.569 0 50 GDAA COCCn1nc2c(c1C(=O)N1CCN(C(C)=O)C(C)(C)C1)C[C@H](C)O[C@@H]2C 1875315677 DCXAUZZFVYYSOK-UONOGXRCSA-N 392.500 1.635 0 50 GDAA COc1cccc(OCC(=O)N2CCC[C@@H](N(C)CC(=O)N3CCC3)C2)c1 1875362114 RPPWYQLPSPYRER-MRXNPFEDSA-N 375.469 1.229 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCc1nc(N)cc(O)n1 1940195501 UGGZMNXYUIXUOE-UHFFFAOYSA-N 395.419 1.015 0 50 GDAA Cc1noc(C)c1CCC(=O)NCc1cc(CNC(=O)Cc2cnc[nH]2)ccn1 2100539499 LIMOMRHFQLIYRU-UHFFFAOYSA-N 396.451 1.517 0 50 GDAA O=C(C[C@H]1CN(C(=O)[C@@H]2CC23CC3)C2(CCC2)CO1)NCC1(n2nccn2)CC1 2325785357 RSDUFCXVZLWBBO-HOTGVXAUSA-N 399.495 1.224 0 50 GDAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cccc(O)c1)C[C@@H]2O 2356145886 WWFLHAALGOCLLT-ADYITMSISA-N 396.487 1.533 0 50 GDAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2S(=O)(=O)N1CCCCC1 2356162873 NALWWEHHENHNCN-IBGZPJMESA-N 392.525 1.769 0 50 GDAA CN(C(=O)c1ccc2nnc(-c3cccn3C)n2c1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356164774 GJQNGGPDUIMAGJ-XHSDSOJGSA-N 392.463 1.722 0 50 GDAA CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 634798 ZTCIZQJGOIFZMG-UHFFFAOYSA-N 375.860 1.982 0 50 GDAA O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2ccccn2)CC1 2686782 BKFQFMXWDFWBCA-QZTJIDSGSA-N 385.464 1.421 0 50 GDAA COCCNC(=S)NC(=O)c1ccc(C)c(I)c1 2887233 QUKCYWSUHOHFNL-UHFFFAOYSA-N 378.235 1.850 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cccc(N5CCCC5=O)c4)C[C@@H]13)O2 2356162820 LJWZNGVNWZIJBN-GHDARCQNSA-N 383.492 1.995 0 50 GDAA Cc1ccn(CCN2CC[C@H]3[C@@H]2CCN3Cc2ccc(S(C)(=O)=O)cc2)n1 2356165863 IOXKPDLXKJOGII-PMACEKPBSA-N 388.537 1.944 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1C 4820641 FLPRRLMELMAKIM-HOTGVXAUSA-N 396.509 1.700 0 50 GDAA O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CCN(c2ccccc2F)C1=O 112260829 LDTXVLATNZPCSB-CYBMUJFWSA-N 396.382 1.520 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cn2ccccc2n1 55060871 ZWYJRULJTPXSHA-GOSISDBHSA-N 395.438 1.480 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CCCC1)N2C(C)=O 9742309 YNOFRSSBOCWNDR-GOSISDBHSA-N 393.509 1.617 0 50 GDAA CCN1C[C@@H](C(=O)N2CCC3(CC2)NC(CCC(C)C)=NC3=O)CCC1=O 55036194 IGKCZISPOUIGCN-HNNXBMFYSA-N 376.501 1.571 0 50 GDAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(Cc1cccc3nonc13)C2 65424551 MDZABZYTLMVUMP-UHFFFAOYSA-N 389.419 1.760 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCC3(CO)CCC3)C2=O)c1 67774888 KSGQCHOOUDNRCO-FQEVSTJZSA-N 380.460 1.440 0 50 GDAA CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2)c1cccnc1 67773122 DHBFHGKYCLSDDX-LBPRGKRZSA-N 381.479 1.917 0 50 GDAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3ccc4ccccc4c3)nn2)CN1 67805870 CCOWSRCSEADMRL-OALUTQOASA-N 392.463 1.353 0 50 GDAA C[C@H](Cc1cccs1)C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 328640214 PWLBTLJLYLMDPZ-TZMCWYRMSA-N 375.498 1.737 0 50 GDAA CC(C)(c1ccc(OC[C@H](O)CO)cc1)c1ccc(OC[C@H](O)CO)cc1 643322 NISVZEWKUNUGQQ-QZTJIDSGSA-N 376.449 1.477 0 50 GDAA biogenic,in-vitro COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc(F)c(CO)c2)c1 72167480 KPLTWVTUXMBAEH-UHFFFAOYSA-N 383.397 1.608 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cc(OC)ccc2OC)c1 71746032 XLSZPUYINJJJAY-UHFFFAOYSA-N 395.433 1.994 0 50 GDAA C[C@@H](C(=O)Nc1nnc(NS(C)(=O)=O)s1)[C@@H]1OCCc2sccc21 366638659 XSUJPZZGIYBXJJ-XCBNKYQSSA-N 388.496 1.860 0 50 GDAA CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]2CS(=O)(=O)C[C@H]21 72422191 OXUIUNQNRVNACX-OLZOCXBDSA-N 391.276 1.463 0 50 GDAA CC1(C)C(c2cc(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)C1(C)C 333108266 RLNYUDOUKMNZPT-FIXIBIHLSA-N 386.452 1.660 0 50 GDAA CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 35996916 MEOYFIHNRBNEPI-UXIGCNINSA-N 389.399 1.284 0 50 GDAA investigational Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)c2)no1 284461798 ABIBXTCQQBUMOF-RHSMWYFYSA-N 395.423 1.872 0 50 GDAA CN(Cc1cnccn1)C(=O)C[C@@H]1COCCN1C(=O)NCc1cccs1 72477004 OXHGTRQRFLTLRB-OAHLLOKOSA-N 389.481 1.497 0 50 GDAA CC[C@H](CO)N1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1 131300898 ORDNCWDTZZVMQN-QGZVFWFLSA-N 394.479 1.653 0 50 GDAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cn(-c2ccccc2)nn1 72152627 NIIVADXRTQWFMC-LJQANCHMSA-N 378.436 1.466 0 50 GDAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 175321089 OWUDAJNHGWWBTF-SNVBAGLBSA-N 395.872 1.956 0 50 GDAA COC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCC1 263309391 WSPXKFAOCPGFCW-UHFFFAOYSA-N 396.465 1.177 0 50 GDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCC(=O)N(C)C)C2 95529335 PYPASETYJNEQLL-LSDHHAIUSA-N 376.457 1.109 0 50 GDAA CN(C)CCNC(=O)CN1C(=O)N(C)C(=O)C1(c1ccccc1)c1ccccc1 96027799 SJDRHSCQIJUOHJ-UHFFFAOYSA-N 394.475 1.502 0 50 GDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2(C)CCNCC2)CC1 96141023 ZBQMBHCWRSZGLK-UHFFFAOYSA-N 385.516 1.639 0 50 GDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)Cn3ccnc3)C2)c1 95505427 NMFZHHDQAUDAOC-OAHLLOKOSA-N 386.452 1.569 0 50 GDAA Cc1cc2cc(C(=O)N3C[C@H]4CN(C(=O)N(C)C)C[C@@]4(C(=O)O)C3)ccc2o1 97155940 FCNSZRFJNRWSCE-YWZLYKJASA-N 385.420 1.881 0 50 GDAA O=C(O)c1cccc(-c2nc3c([nH]2)CN(C(=O)CN2CCC[C@H](O)C2)CC3)c1 230532740 YGGAACPJYXUTRK-HNNXBMFYSA-N 384.436 1.116 0 50 GDAA COCCN(C)CC(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95519605 HYWVMCYVLHUCHO-HNNXBMFYSA-N 377.514 1.672 0 50 GDAA O=C1CN(C(=O)c2cnc(-c3cccnc3)nc2O)CCN1Cc1ccccc1 96163287 JHKIAYNYJDBLGG-UHFFFAOYSA-N 389.415 1.729 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CN1C(=O)C1CCCC1 96150268 ZVTQBEKRACUSNK-PBHICJAKSA-N 375.444 1.851 0 50 GDAA COCc1cccc(C(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95392434 LWAKCMBQTSWQOL-HNNXBMFYSA-N 395.467 1.621 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@]2(C(=O)O)C1 96151818 OKKQWIASEGGKRW-UGSOOPFHSA-N 379.844 1.409 0 50 GDAA O=C1C[C@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@@H]2[C@@]5(Br)C32OCCO2)[C@@]14Br 252427639 AOEBZBAYOJOSKS-FSYFGRCMSA-N 376.044 1.721 0 50 GDAA Cc1cncc(C(=O)N[C@@H]2C[C@H](C(=O)NCCc3ccccc3C)C[C@H]2O)c1 1940195222 PJBXULBMJGZUDR-DFQSSKMNSA-N 381.476 1.927 0 50 GDAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)cc1 64053753 XEPPEKYMAKOGHN-HXUWFJFHSA-N 399.466 1.884 0 50 GDAA CN1C(=O)CN(CC(=O)Nc2c(O)cc(Br)cc2Cl)C1=O 861676537 GKMZACUUTYISQY-UHFFFAOYSA-N 376.594 1.641 0 50 GDAA CCOc1nc(=NCc2ccnc(N3CCOCC3)c2)[nH]cc1Br 1875261579 CRDFYEDEKDAAEW-UHFFFAOYSA-N 394.273 1.903 0 50 GDAA CC(=O)N1CC2(CCN(C(=O)c3conc3[C@H]3CCCO3)CC2)[C@@H]2COC[C@@H]21 1875396743 UBWAQMUEYHUMDA-IXDOHACOSA-N 389.452 1.626 0 50 GDAA C[C@H](C(=O)NS(=O)(=O)N1C[C@H]2CCC[C@H]2C1)n1ccc(C(F)(F)F)n1 1875312473 DMGMZVOSPVKTLL-MXWKQRLJSA-N 380.392 1.556 0 50 GDAA O=S(=O)(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccoc1Cl 1875398722 CDYOTIUBSAHAKZ-JMJZKYOTSA-N 380.253 1.901 0 50 GDAA C=CC(=O)N1CC(c2ocnc2CNC(=O)C2=NO[C@@H](c3ccccc3)C2)C1 1875389323 JYTXCANYLDAORP-QGZVFWFLSA-N 380.404 1.920 0 50 GDAA Cc1nc(C)c(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)nc1C 1875397910 SYAQUMPCGVQLBB-QGZVFWFLSA-N 397.527 1.879 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]2O)no1 1565530684 UZKZWSVZTVERNK-ZFWWWQNUSA-N 377.828 1.950 0 50 GDAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](n2cncn2)C1 170948731 DRWVZTWOVDWDFH-DLBZAZTESA-N 384.419 1.360 0 50 GDAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CCN1CC(C)(C)O 188618719 NGDQCRMHTFRDQX-CQSZACIVSA-N 377.460 1.870 0 50 GDAA CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3cnnc3)cc2)cc1 750622621 UWGZBCVWUGVCMZ-UHFFFAOYSA-N 393.403 1.765 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 1506397000 XOUNZJBCJSYBJN-UHFFFAOYSA-N 386.433 1.883 0 50 GDAA CCc1nc(C)c(C(=O)N2CCCN(Cc3nccn3CCOC)CC2)o1 1529103595 DQVCJTFTYGOFHP-UHFFFAOYSA-N 375.473 1.736 0 50 GDAA Cn1ccnc1CCN1C[C@H]2CN(Cc3ccncc3)C[C@@]2(CCC(=O)O)C1 1772807739 UDGPOTRAZGOZLJ-GHTZIAJQSA-N 383.496 1.656 0 50 GDAA Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)CC4=CCCC4)C[C@]3(CO)C2)cs1 1772706419 RUNCSJLCJDQYEF-HNAYVOBHSA-N 375.494 1.845 0 50 GDAA COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2)n(C)c1=O 5157711 TXHZZLDJNPQPGV-UHFFFAOYSA-N 385.424 1.094 0 50 GDAA Cc1ccc(OCCN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)cc1 12578257 NIIUWCPYESZTSA-UHFFFAOYSA-N 386.500 1.751 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)c1cccc(Br)c1 14536870 JJKOGRAZWNADKD-IHRRRGAJSA-N 392.253 1.153 0 50 GDAA Cc1c(C(=O)N(C)C[C@H](O)CO)sc2ncnc(NCc3ccco3)c12 14996774 MHUWYSQNUXKTEK-NSHDSACASA-N 376.438 1.630 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2)n1C[C@H]1CCCO1 19839646 BXKQEYSKIDEIJD-QGZVFWFLSA-N 395.529 1.574 0 50 GDAA COc1cc(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)cc(OC)c1OC 19842164 HGNLNHOORLTZAP-MRXNPFEDSA-N 378.469 1.578 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCc3ccc(O)nn3)C1)CC2 1857686927 JJQVQRAYUZCNRE-HXUWFJFHSA-N 398.467 1.183 0 50 GDAA COC(=O)[C@H](CO)NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857695650 SEVXGESXPNBAQF-ZDUSSCGKSA-N 381.816 1.348 0 50 GDAA O=C(c1cccnc1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857703628 PPZHVCACSVKSDD-NRFANRHFSA-N 395.463 1.534 0 50 GDAA CN(C)c1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)ncn1 1857721043 WZMYHLZLMWBBBN-LYKCQVCGSA-N 383.452 1.549 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857733500 MJVITWUTOLSAQT-UZLBHIALSA-N 379.420 1.784 0 50 GDAA COCCC(=O)NCc1cnc2c(c1)CN(C(=O)c1nsnc1C)CC2 1875247477 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CCn1cc(-c2nnc3n2[C@H](Cc2ccccc2)C(=O)N(CCOC)C3)cn1 2356140997 UQQMSLBLDFEGKK-QGZVFWFLSA-N 380.452 1.934 0 50 GDAA O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2ccccn2)CC1 2686786 BKFQFMXWDFWBCA-MSOLQXFVSA-N 385.464 1.421 0 50 GDAA NC(=O)c1cc(C(=O)NCCc2nnc(-c3ccco3)[nH]2)nn1-c1ccccc1 116756196 TVVYPZBBYGKTMZ-UHFFFAOYSA-N 391.391 1.322 0 50 GDAA O=C(c1ccc(N2CCSCC2)nc1)N1CCC(N2CCOCC2)CC1 67472838 GTKJCGILCYYREO-UHFFFAOYSA-N 376.526 1.572 0 50 GDAA CN(CC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 11874623 NOCWEBBWAUWACZ-HXUWFJFHSA-N 385.508 1.229 0 50 GDAA CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)cc21 328630682 QEDHJVFRYSONKL-FUHWJXTLSA-N 390.465 1.138 0 50 GDAA COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(N)=O)n[nH]2)cc1OC 434193176 HEBAKFBUVMRQKM-MRXNPFEDSA-N 394.431 1.920 0 50 GDAA CC(=O)N[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2CCN(C(C)=O)C3)C1 71747887 ADZHZEKONGORMM-MRXNPFEDSA-N 380.452 1.158 0 50 GDAA Cc1nn(CC(=O)N[C@H](C)c2cn3ncsc3n2)c(=O)n1-c1ccccc1 77455187 SSXYFRBPTMEEBD-LLVKDONJSA-N 383.437 1.324 0 50 GDAA COc1ccccc1CN(C)C(=O)CN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 378363467 LGQIMWFGTBPXCJ-RBUKOAKNSA-N 386.496 1.975 0 50 GDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCOc2ccccc2Cl)CC1 72117516 NUCNHEOTAGSFRC-UHFFFAOYSA-N 389.905 1.353 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3cc(C4CC4)ncn3)CC2)C1 71762883 XTUCLZORONCOST-QGZVFWFLSA-N 387.528 1.797 0 50 GDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)cs1 77385140 HVYLSFILXYSQGB-ZTENYAIWSA-N 375.494 1.990 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 72162439 DRFHRTXJYYXYBK-SFHVURJKSA-N 380.514 1.830 0 50 GDAA C[C@@H]1[C@@H](NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCC[C@H]1C 239415364 UFUSSDMRTRUELO-LEOABGAYSA-N 378.469 1.646 0 50 GDAA Cc1cccnc1CN(C)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72447179 FFRVRCPWGTUJTL-AWEZNQCLSA-N 375.498 1.687 0 50 GDAA CCO[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)[C@H]1n1cccn1 263434393 ZLNCRQIEDAOUFF-SYLRKERUSA-N 390.362 1.506 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223368056 MBFYJHGSXNGBOG-RANZSIQMSA-N 378.494 1.966 0 50 GDAA Cn1cc([C@H](NC(=O)c2cnc(CN3CCCC3)s2)[C@H]2C[C@@H](O)C2)cn1 223316235 AGRSKAQZWYOXSB-SUYBPPKGSA-N 375.498 1.714 0 50 GDAA COc1ccccc1CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 44918628 MOLWTLUCZYQYKU-UHFFFAOYSA-N 382.464 1.835 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)cc1 426490729 QOTZOIHTXBOZTQ-GOSISDBHSA-N 381.440 1.027 0 50 GDAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 20614781 OACSLVLRIXWSGD-UHFFFAOYSA-N 376.800 1.370 0 50 GDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(-c2nc[nH]n2)cc1 334161019 RHQQBCOEKGCGFP-MRXNPFEDSA-N 390.403 1.941 0 50 GDAA Cc1c(CNS(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)cnn1C 95385931 XVLPPIIRUMXNFB-UHFFFAOYSA-N 376.482 1.833 0 50 GDAA COc1ccc([C@@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c(OC)n1 95389014 KJNDLZNOIFARMY-HNNXBMFYSA-N 375.381 1.276 0 50 GDAA CCN(C)C(=O)c1cccc(S(=O)(=O)NCC2(Cn3cccn3)CC2)c1 95365418 RQYVKWACAJPHBS-UHFFFAOYSA-N 376.482 1.734 0 50 GDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 245329444 YZQBMWKTECEXCC-ZZFLVZEYSA-N 391.855 1.240 0 50 GDAA CSCC[C@H](CO)NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 252499956 SJXKOANNCOTYCT-GFCCVEGCSA-N 385.511 1.243 0 50 GDAA Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)cnn1-c1ccc(Br)cc1 269002547 ZOIMUNLPBPPWNR-CQSZACIVSA-N 394.225 1.869 0 50 GDAA CCn1ncnc1CN1CCC[C@@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 823609723 JXWFBLMWVLOMIZ-INIZCTEOSA-N 394.483 1.521 0 50 GDAA Cc1cccc(=O)n1CCC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 828057173 HPYUGFOVBXBZMV-UHFFFAOYSA-N 399.447 1.423 0 50 GDAA Cc1nnc(CCNC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)s1 584886632 IUNSWCCRIANSBY-UHFFFAOYSA-N 386.481 1.997 0 50 GDAA O=C(Cn1cnnn1)NCC1CCN(Cc2cccc(-c3ccco3)c2)CC1 827864427 NBFHRKDGHSZJTG-UHFFFAOYSA-N 380.452 1.962 0 50 GDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2F)CC1 584901949 URMFGEJJTFWYHY-WMZOPIPTSA-N 382.455 1.904 0 50 GDAA CN1C[C@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)c1cccc3c1OCCCO3)C2 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O=C(CN1C(=O)COc2ccccc21)NCc1ccccc1CN1CC[C@@H](O)C1 272780201 IOEVHYZUGZUEAA-GOSISDBHSA-N 395.459 1.295 0 50 GDAA O=C(NCCNC(=O)c1cccnc1)NC1CCN(Cc2ccncc2)CC1 193369008 UKAQBBJOWAVFGJ-UHFFFAOYSA-N 382.468 1.170 0 50 GDAA CC(=O)N1CCC2(CC1)CN(CCC(=O)N1CCc3ccccc3C1)CCO2 1506418182 OBTQLPLGLUUMCB-UHFFFAOYSA-N 385.508 1.675 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)OCC(=O)N2C2CC2)cc1 1529152321 JCVNZHRNRYOAMP-UXHICEINSA-N 381.432 1.838 0 50 GDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1131639 FPWQWBNZAVUOKA-UHFFFAOYSA-N 383.289 1.973 0 50 GDAA CSCC(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@]2(CO)C1 1775979196 YMFWKCFQWKETJD-SCLBCKFNSA-N 398.912 1.230 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N3CCN(C(C)=O)CC3)CCC2=O)cc1 14979062 RZKLQNCNNCZYSZ-GOSISDBHSA-N 387.480 1.167 0 50 GDAA COc1cc(C)c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1C 19821077 ZNTXEHTUVVOXTC-RHSMWYFYSA-N 387.523 1.347 0 50 GDAA O=C(NCCN1CCN(C(=O)c2cccc(F)c2)CC1)C(=O)Nc1ccccc1 19831140 HQBKBSXERKZVIB-UHFFFAOYSA-N 398.438 1.338 0 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2356143166 XDKGHEMACCMZFU-BYJNEHFFSA-N 395.503 1.984 0 50 GDAA Cc1cccc(Cn2c(=O)c3c(nc4n(CCCO)c(C)cn34)n(C)c2=O)c1 10233345 CHJFDNJOXVEQHF-UHFFFAOYSA-N 381.436 1.197 0 50 GDAA Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 8778499 OAMBQEOYXJYXPW-AWEZNQCLSA-N 383.452 1.375 0 50 GDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@@]4(CCC(=O)N(C5CC5)C4)C3)c(=O)n2n1 102864492 GFKMBXDPFPGOOA-HXUWFJFHSA-N 383.452 1.338 0 50 GDAA CCCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O 9741503 AMTMWHITCHAVLJ-GOSISDBHSA-N 393.509 1.665 0 50 GDAA O=C(O)c1nn(CC2CC2)c2c1CN(S(=O)(=O)N1CCCCCC1)CC2 67713110 HOBMIPDRIYNZOW-UHFFFAOYSA-N 382.486 1.470 0 50 GDAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)s1 23251356 JXPAZDMUCWPINO-CQSZACIVSA-N 382.449 1.729 0 50 GDAA CN(Cc1cccc2cnccc12)C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 1506424331 JVLLPAWFNUGIQY-QGZVFWFLSA-N 375.494 1.702 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCN1CCCC1 12429723 RRCLLTPYDCXVBI-NRFANRHFSA-N 394.519 1.742 0 50 GDAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 328611969 NHMWJPNTGBHJFJ-SQWLQELKSA-N 383.495 1.303 0 50 GDAA Cc1cnn(C[C@@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCO2)c1 172756445 DLTWEJUQUFBPFQ-INIZCTEOSA-N 391.497 1.180 0 50 GDAA CNC1CCN(C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 67834327 DSAAYTJKEFKHIQ-FQEVSTJZSA-N 379.476 1.372 0 50 GDAA Cc1ccc(N(C)CCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72437468 OJYXSTGXUDXYJZ-INIZCTEOSA-N 382.530 1.066 0 50 GDAA C[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 363877661 DTBYVKQTSKNLPK-KBMXLJTQSA-N 381.436 1.447 0 50 GDAA O=C(CCCN1CCCC1=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 219096507 AJDPFSWMSLCTPS-QZTJIDSGSA-N 376.453 1.234 0 50 GDAA CCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2cnc3cccnn23)CC1 72171195 UKCUWEQVZUZYDS-CABCVRRESA-N 386.456 1.201 0 50 GDAA COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1C 72117504 RVTBEGBCURNNBI-CQSZACIVSA-N 383.514 1.699 0 50 GDAA CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 377058512 WRYXAWSVLSXVSG-SJORKVTESA-N 387.546 1.313 0 50 GDAA COc1ccc([C@H](CNC(=O)[C@H](C)OC[C@H]2CCCO2)N2CCOCC2)cc1 241126191 JKEMBTGTTPFUCZ-DBVUQKKJSA-N 392.496 1.769 0 50 GDAA COc1ccc(Cl)cc1C(=O)NCCNc1cc(N2CCOCC2)ncn1 72437231 GZVWKPXNSAOMGC-UHFFFAOYSA-N 391.859 1.817 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 71754849 LRHMEWVBQAEIFW-UHFFFAOYSA-N 385.917 1.902 0 50 GDAA Cc1ccc(NC(=O)[C@@H]2CNCCN2C(=O)Cc2ccc3c(c2)OCO3)cn1 72122534 CUVSXCBACXAJGV-INIZCTEOSA-N 382.420 1.100 0 50 GDAA CCn1cc(-c2noc(-c3cccc(NC(=O)NC4CC4)c3)n2)c(O)nc1=O 289481842 WRLICYCFYUSJDJ-UHFFFAOYSA-N 382.380 1.970 0 50 GDAA O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225422906 MJXGNRGOCLRXCI-KGLIPLIRSA-N 376.416 1.273 0 50 GDAA biogenic CCOc1ccc(C(=O)N2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)o1 223246956 OXFKWFNZEUPQDH-AWEZNQCLSA-N 376.413 1.043 0 50 GDAA CNC(=O)Cc1ccc(NC(=O)N(C)C[C@H]2CCCN(CCOC)C2)cc1 426383782 JASLHASFPIVDHD-QGZVFWFLSA-N 376.501 1.797 0 50 GDAA C[C@H](Cn1cncn1)NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 95371347 GWVQUUPXHZXAPB-CYBMUJFWSA-N 377.470 1.318 0 50 GDAA CCNc1ncc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 95384046 GHBCFWWOYBYKHH-MRXNPFEDSA-N 381.488 1.661 0 50 GDAA Nc1nc2c(c(C(=O)N3CCC[C@]4(CCC(=O)N(C5CC5)C4)C3)n1)CCCC2 91425570 KDHVLIGADWUMRS-NRFANRHFSA-N 383.496 1.945 0 50 GDAA CC1(C)SC[C@H](C(=O)NCC(C)(C)N2CCc3ccccc3C2)NC1=O 97681945 GXLQVWQNVIULSX-MRXNPFEDSA-N 375.538 1.950 0 50 GDAA CN(C)C(=O)N1C[C@@H]2CN(Cc3cccc(OC(F)F)c3)C[C@]2(C(=O)O)C1 96152269 JZBTYNOLWZQNSQ-UGSOOPFHSA-N 383.395 1.788 0 50 GDAA CSCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CO)c1 97532620 UYKWKGXYDGHOES-HNNXBMFYSA-N 386.539 1.657 0 50 GDAA COc1ccc(C(=O)N[C@H](C)c2nnn[nH]2)cc1OC1CCN(C(C)C)CC1 95518430 JXYDMHJAIVJXOR-CYBMUJFWSA-N 388.472 1.951 0 50 GDAA CC(C)C[C@@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91678931 HPMQOYYDBNOMFV-QGZVFWFLSA-N 375.517 1.557 0 50 GDAA C[C@@H](CCNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)N1CCN(C)CC1 534634115 GKFQMXSJEKVQEM-AWEZNQCLSA-N 376.480 1.869 0 50 GDAA CNC(=O)c1n[nH]c2c1CN(C(=O)N[C@H](C)c1nc(CC(C)C)no1)CC2 534640886 KPDKFPFQRIUPLN-SNVBAGLBSA-N 375.433 1.180 0 50 GDAA COCCn1nc2c(cc1=O)CN(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)CC2 263616166 HLYJGECMPXVUCJ-UHFFFAOYSA-N 397.410 1.617 0 50 GDAA O=C(NC1CCN(c2cnccn2)CC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 299760706 JJRWJSZMBZNDOC-OAHLLOKOSA-N 380.452 1.005 0 50 GDAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NC[C@H]1COCCN(C)C1 299784235 GEFXKDDJHKXDSF-CYBMUJFWSA-N 375.429 1.753 0 50 GDAA COCCN1CCC(C(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)CC1 824412422 PLEJJWNIMUEKMH-UHFFFAOYSA-N 376.501 1.792 0 50 GDAA COc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1C(=O)N(C)C 824699810 HEGJXDPDQBGWDZ-UHFFFAOYSA-N 376.457 1.729 0 50 GDAA CCN1CC[C@@H](CN(CC)C(=O)NCc2csc(N3CCOCC3)n2)C1 584896092 ZYLMEGQUGVSXPA-OAHLLOKOSA-N 381.546 1.853 0 50 GDAA CCn1c(O)nc2cc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)ccc2c1=O 268934420 GIDQTEOVMCIJPV-LYRGGWFBSA-N 385.420 1.980 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CN[C@H](Cc2ccc(F)cc2F)C2CC2)ncn1 1875399433 CDHAILVFVIVGLH-JFIYKMOQSA-N 389.450 1.888 0 50 GDAA CNS(=O)(=O)C[C@@H]1CCCN(c2nc3c[nH]nc3cc2Br)C1 1875320833 MNNHSDRHOAZZFC-SECBINFHSA-N 388.291 1.486 0 50 GDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccc2nc(O)oc2c1 952975033 BTWLRPAAVKWCMK-LBPRGKRZSA-N 393.465 1.945 0 50 GDAA O=C(Cc1ccc(OCc2ccccn2)cc1)NC[C@@H](O)CN1CCCC1=O 1320076125 JPRXOUWAVCMIDW-GOSISDBHSA-N 383.448 1.303 0 50 GDAA COc1ccc(SCC(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc1 276362903 IIBSBMFUEIVAOP-AWEZNQCLSA-N 387.509 1.892 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CCO)CC(F)F)s1 194383740 KYZGULUHPGYRKD-LLVKDONJSA-N 382.454 1.296 0 50 GDAA O=C(C1CCC1)N1CCN(Cc2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1616101788 AGNDZLFPQHTZRJ-SJORKVTESA-N 382.913 1.950 0 50 GDAA CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F 11859287 WRLCEQUZNVPEHY-MJVIPROJSA-N 392.355 1.364 0 50 GDAA COCC(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11982955 NEOGTNOVNYJBRJ-INIZCTEOSA-N 375.446 1.823 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 12469711 YDXFBLLSVBURRW-AWEZNQCLSA-N 392.481 1.259 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)c1ccc(C(F)(F)F)cc1 14533707 UESYHNJREUIOGF-IHRRRGAJSA-N 381.354 1.409 0 50 GDAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14541578 UFNJCOOUSUEKIG-MRXNPFEDSA-N 386.496 1.612 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccnc2)cc1C 15078446 GXQRVUYHIBAICC-SFHVURJKSA-N 382.464 1.406 0 50 GDAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(OC)cc1 19931896 XMOCIHQGTMXQAU-NVXWUHKLSA-N 383.514 1.781 0 50 GDAA CC1(CNC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)COC1 1857672886 LJMKCKFFSXQXQC-AWEZNQCLSA-N 386.477 1.635 0 50 GDAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857688391 HEOYCYABERJCRN-AGIUHOORSA-N 397.422 1.023 0 50 GDAA CN1CC[C@]2(C(=O)NCCCn3ccnc3)CCCN(Cc3ccncc3)[C@H]2C1 1857695961 GIRRJFUFAIWQMY-RBBKRZOGSA-N 396.539 1.771 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3cccnc3)C[C@]23CC[C@H]1O3 1857729476 CHEVXSIQGOFNGY-WFXMFSGNSA-N 385.493 1.651 0 50 GDAA CC(C)(C)NC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccncc2)C1 1875242907 HUIOUYZLCXUYPJ-UWJYYQICSA-N 387.528 1.835 0 50 GDAA O=C(c1cc2ccccc2o1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 212932209 JPVXGMCVBSABSC-APWZRJJASA-N 399.447 1.800 0 50 GDAA CC(C)(CN(C(=O)[C@H]1[C@H]2COCC[C@H]21)C1CC1)NC(=O)[C@@H]1[C@@H]2CCOC[C@H]21 2325767682 YGCOOGZRQJBJTJ-PDCGBLAGSA-N 376.497 1.437 0 50 GDAA COCC[C@]1(C(=O)O)CCN(C(=O)[C@H]2CCCN2c2ncnc3ccccc23)C1 2325790765 IPSQFFDJGLLBSW-DYESRHJHSA-N 398.463 1.938 0 50 GDAA CCOC(=O)c1cc(C(=O)N2CC[C@H](Cc3cn(-c4ccncc4)nn3)C2)on1 2325826221 UQZWFWIUMVHOKZ-CYBMUJFWSA-N 396.407 1.532 0 50 GDAA CCCCC/C=C/C=C/C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CSCC(=O)N1 2325872671 ISSOPSHGXVKFIX-INLJAORESA-N 391.537 1.722 0 50 GDAA CS(=O)(=O)C[C@@H](O)CNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 2325875023 DPCSOAAVKOVWNF-GWCFXTLKSA-N 376.862 1.258 0 50 GDAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n(-c2ccccn2)n1 116600022 PTSBSJPPCXDBTG-UHFFFAOYSA-N 383.433 1.662 0 50 GDAA CC(C)NC(=O)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 11815456 MBSSZRCLOPJQGN-UHFFFAOYSA-N 385.424 1.622 0 50 GDAA O=C(Cc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 12421777 KAYNHUQLQXXIOR-UHFFFAOYSA-N 386.473 1.839 0 50 GDAA COc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)cc(OC)c1 12579613 JDOKAUGYEHSOEI-HXUWFJFHSA-N 397.475 1.711 0 50 GDAA O=C(CCC1CCN(C(=O)Cn2nc3ccccc3n2)CC1)NC[C@H]1CCCO1 12595263 WRLLVFMIOXHSEG-QGZVFWFLSA-N 399.495 1.745 0 50 GDAA O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCOCC1 18271498 QVAZOBAKGVLFMT-QGZVFWFLSA-N 389.427 1.028 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2n[nH]c3c2CCCC3)o1 19114116 WTCNIKMZNOAIJO-LJQANCHMSA-N 399.495 1.539 0 50 GDAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)Cn1ncc(N(C)C)cc1=O 23192535 SPSFOQYIIJUSLM-OAHLLOKOSA-N 397.479 1.963 0 50 GDAA CCOC(=O)CN(C)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F 39490520 WFQBCCOIPZOXDA-UHFFFAOYSA-N 383.445 1.469 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 55090496 MLLCWJVQJGCBLE-QGZVFWFLSA-N 379.526 1.714 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1 67690878 DHOMBTNXWRNSPB-GOSISDBHSA-N 375.513 1.831 0 50 GDAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H]2CCC(=O)N(C)C2)C1 71738532 YCGKABSDBSWZQL-HNNXBMFYSA-N 380.452 1.476 0 50 GDAA CN(CCc1ccccn1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72421312 ORTQXCRFVPCHLA-AWEZNQCLSA-N 375.498 1.421 0 50 GDAA CCN1CCN(CCCN2CC3(CCN([C@@H]4CCOC4)CC3)OC2=O)CC1 72480181 UVFIXYWDSBGQSD-GOSISDBHSA-N 380.533 1.090 0 50 GDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 77298759 YJOMNBWONBIANL-CYBMUJFWSA-N 377.466 1.262 0 50 GDAA COc1cccc(-c2cc(C(=O)N3CCN(CCn4cncn4)CC3)[nH]n2)c1 91536049 HNKIPOOPYRKEIY-UHFFFAOYSA-N 381.440 1.135 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 95386580 AUXJFAGVSUNUMQ-GOEBONIOSA-N 389.481 1.347 0 50 GDAA COCCN1CCN(C(=O)CCCc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 95518336 YMBVIDVOGNEBEF-CVEARBPZSA-N 386.539 1.027 0 50 GDAA CCc1ocnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95518736 SNUFXURLBXNYCI-UHFFFAOYSA-N 383.452 1.886 0 50 GDAA Cc1nc(-c2ncc(C(=O)N3CCOC[C@@H](CN(C)C)C3)c(O)n2)cs1 96152459 MSOMAWZQZGLNPG-LBPRGKRZSA-N 377.470 1.264 0 50 GDAA Cc1ncc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)cn1 96180893 XGTLSGWRRORKSX-UHFFFAOYSA-N 392.467 1.976 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(Cl)s2)C[C@@]12CCNC(=O)CC2 107409886 HQASKSGJIITVEG-CQSZACIVSA-N 377.919 1.377 0 50 GDAA COc1cc(F)ccc1N1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 115126761 GAUDPTMLONSPQD-UHFFFAOYSA-N 396.426 1.701 0 50 GDAA COc1cc(CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1C 119018099 UERLTXODEMZUEN-SFHVURJKSA-N 388.512 1.494 0 50 GDAA NC(=O)c1cncc(N2CCN(Cc3ccc(Br)cc3)CC2)n1 152462331 AXBMUNCIPPTING-UHFFFAOYSA-N 376.258 1.660 0 50 GDAA CNC(=O)c1ccc(C)c(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 171840643 VABBDBOVGCRAEE-UHFFFAOYSA-N 377.404 1.892 0 50 GDAA CCc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](c4cnn(C)c4)C3)C2)ncn1 172187170 OPLUGJGODWIFLH-MAUKXSAKSA-N 383.500 1.940 0 50 GDAA NC(=O)Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 191475859 HRAUKKIHRNUEAA-LLVKDONJSA-N 397.266 1.469 0 50 GDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)COc1ccc(F)c(Cl)c1)C2 213147423 YPUSKUGNZPXWER-OLZOCXBDSA-N 384.835 1.954 0 50 GDAA CN(c1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1)S(C)(=O)=O 219293606 CFDBIWLIDRGRKA-UHFFFAOYSA-N 388.493 1.435 0 50 GDAA CNC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)c2c(O)n[nH]c2C[C@]1(C)O 245255818 LILSOMVPASSDJC-FFSVYQOJSA-N 380.242 1.679 0 50 GDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 245329443 YZQBMWKTECEXCC-GMLJCOBUSA-N 391.855 1.240 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCc3nccn3C2)c1 275383499 ZIHAXWXHQJTHLV-CYBMUJFWSA-N 377.470 1.518 0 50 GDAA COc1cc(C)c(S(=O)(=O)NC2CCN(CC(=O)O)CC2)cc1Cl 278617334 HBEIZPQJCUZYJP-UHFFFAOYSA-N 376.862 1.484 0 50 GDAA COc1cccc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c1OC(F)F 286704047 CGKYCUHEWAYCHX-UHFFFAOYSA-N 392.424 1.698 0 50 GDAA CN1CCCc2ccc(S(=O)(=O)N3CCN(C)[C@@H](c4ncc[nH]4)C3)cc21 328633646 SSBCBVOHFAFTKF-QGZVFWFLSA-N 375.498 1.470 0 50 GDAA CN(C(=O)c1ccc(NC(=O)C(C)(C)N2CCOCC2)cc1)C1CCOCC1 328700441 WCWKVWOBKLXOJJ-UHFFFAOYSA-N 389.496 1.987 0 50 GDAA O=C1CCc2cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)c(F)cc2N1 330308890 MONICFXZPUWMRF-VUBJBYDRSA-N 382.435 1.949 0 50 GDAA Cc1nc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)sc1Br 333513744 UVHFPGTXKPQAEN-SECBINFHSA-N 392.304 1.831 0 50 GDAA COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 363236534 SSNIYDWBVVUMJT-LSDHHAIUSA-N 382.455 1.811 0 50 GDAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)NCCCOCC2CC2)n1 373725503 RFXNTLSDQVDQDA-AWEZNQCLSA-N 377.445 1.625 0 50 GDAA Cn1ccnc1N1CCC(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)CC1 834328159 HGPHUOFKYYHSDW-OAHLLOKOSA-N 385.493 1.773 0 50 GDAA O=C([C@@H]1CN2CCCN1CC2)N1CCC(c2nccc(N3CCCC3)n2)CC1 952891878 JVKJTCMRKVFYQY-SFHVURJKSA-N 384.528 1.173 0 50 GDAA CC(C)(C)NC(=O)COc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cc1 1076052287 LWMULSBCTZMSAX-MOPGFXCFSA-N 399.495 1.917 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)CC2)c1 1529093896 BAQODWXUUWIJBU-SVFBPWRDSA-N 398.551 1.832 0 50 GDAA Cc1cccc(C)c1CN1C[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1772704340 HTBBLWVLMJNRCB-MSOLQXFVSA-N 394.537 1.397 0 50 GDAA O=C(O)CN1CC[C@@]2(C1)CN(CC1=Cc3cc(Cl)ccc3OC1)CCO2 1857705616 OALBECFHJNOETM-LJQANCHMSA-N 378.856 1.977 0 50 GDAA O=C(CCc1cccnc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857719162 FVFAAPWAMIYOGM-UNMCSNQZSA-N 396.491 1.710 0 50 GDAA N=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccc(F)cc4)[C@H]4CC[C@]3(C2)O4)[nH]1 1857723806 XTCIHCJBPIKOSV-QCBUCWTNSA-N 383.427 1.442 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N(C)Cc3nncn3C(C)C)CC2=O)s1 1857734700 NLNLOCVMDIJWCY-LLVKDONJSA-N 377.474 1.284 0 50 GDAA COC(=O)CN=c1[nH]c(C)nc2c1CC[C@]21CCCN(C(=O)c2cc(C)on2)C1 1875241176 PYIDFQBDXRVPSG-FQEVSTJZSA-N 399.451 1.208 0 50 GDAA O=C(NCc1ccc(-c2cccnc2)cc1)NC[C@]1(CO)COC[C@H]2CCCN21 1875278211 JIIHXSUYRGZGIF-IRLDBZIGSA-N 396.491 1.774 0 50 GDAA COc1ccc(N2CCN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)CC2)nc1 1875314509 BVJGNKWTAGOHAT-KGLIPLIRSA-N 385.468 1.808 0 50 GDAA CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCC[C@H]3c3nn[nH]n3)=NO2)C1 1875340185 PKQSGZATFJCTBS-SJCJKPOMSA-N 391.432 1.019 0 50 GDAA C[C@@H](NC(=O)COc1cccc(C(N)=O)c1)C(=O)N1c2ccccc2C[C@H]1C 2325751309 JVFNFNUXOPUAFL-ZIAGYGMSSA-N 381.432 1.647 0 50 GDAA CC1(C)NC(=O)C2(CCN(C(=O)Cc3ccc(N4CCOC4=O)cc3)CC2)O1 2325783094 YODQZDIOHNZEDK-UHFFFAOYSA-N 387.436 1.429 0 50 GDAA CO[C@H](C(=O)NCC(C)(C)NC(=O)c1ccc2ccncc2n1)[C@@H]1CCOC1 2325830071 ZSLJUQKSVAQJAW-PBHICJAKSA-N 386.452 1.306 0 50 GDAA O=C(N[C@@H](CNC(=O)[C@H]1CCNC1=O)c1ccccc1)c1onc2ccccc12 2325860778 UCOZPJAPJJHEOG-RDJZCZTQSA-N 392.415 1.551 0 50 GDAA Cc1nnc2n1[C@H](Cc1ccccc1)CN(c1nc(N)c3cnn(C)c3n1)C2 2356135806 UJKPYIFGXLUMNN-CQSZACIVSA-N 375.440 1.649 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356144225 NQAUPWJWNKWMHZ-IBGZPJMESA-N 391.493 1.402 0 50 GDAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCC[C@@H]3C)=C2)cc1 6800310 XROGIGGTLBTMEH-ZDUSSCGKSA-N 377.466 1.959 0 50 GDAA COC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71388611 CAWIAXAAUBXTJP-GOSISDBHSA-N 388.512 1.389 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCC3(O)CCCC3)C2=O)c1 67722892 IJARBBSQMXCANR-NRFANRHFSA-N 394.487 1.973 0 50 GDAA COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC 65362008 MTQOIIYSOOBCHW-OAHLLOKOSA-N 384.498 1.424 0 50 GDAA COc1cccc(CN2CCN(C(=O)c3cnn4cc(C)cnc34)CC2=O)c1 65421950 BTRZMTPHPDXKLY-UHFFFAOYSA-N 379.420 1.531 0 50 GDAA C[C@H](O)CN(C)C1CCN(C(=O)c2cnc(OCc3ccccc3)cn2)CC1 430328735 FXJQHRBADPTCKX-INIZCTEOSA-N 384.480 1.973 0 50 GDAA Cc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)n(Cc2ccccc2)n1 253477271 DWEQYONAQMKPHM-UHFFFAOYSA-N 380.452 1.963 0 50 GDAA CC1(C)CN(C(=O)NCc2ncccc2S(C)(=O)=O)C[C@H](C(F)(F)F)O1 490369760 CHIZAXGKVMKTJP-GFCCVEGCSA-N 395.403 1.736 0 50 GDAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)cc1 77355458 WTDIWYURZJLJLD-QGZVFWFLSA-N 381.480 1.523 0 50 GDAA Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1Cl 242183925 XDAUMOHMXKVLKH-SQWLQELKSA-N 399.900 1.994 0 50 GDAA CC[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C 242324466 ZBMYHWWWIPYQAF-CABCVRRESA-N 379.505 1.929 0 50 GDAA COc1ccccc1C[C@H](CNC(=O)CNC(=O)NCc1ccco1)C(=O)O 262110032 JWIARLDIKOYCQX-CQSZACIVSA-N 389.408 1.147 0 50 GDAA COc1cc(OC)cc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)c1 72441673 UIUPMJUMGUQPNV-UHFFFAOYSA-N 387.440 1.172 0 50 GDAA COc1cccc(C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)CCO2)c1 71524751 WBCYFKFWGPWWJJ-QGZVFWFLSA-N 390.461 1.426 0 50 GDAA CN(C)[C@H]1CCN(CCN2CC3(CCN(C(=O)c4ccoc4)CC3)OC2=O)C1 72433913 QEOOBOQUVVYHBK-KRWDZBQOSA-N 390.484 1.343 0 50 GDAA COCCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@@H]13)O2 77424127 OJMHDGIYGFDSSQ-VWNVYAMZSA-N 384.476 1.690 0 50 GDAA O=S(=O)(Cc1ccccc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72116128 NCLFODVVRAQXCG-UHFFFAOYSA-N 387.509 1.729 0 50 GDAA CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)[C@@H]1n1cccn1 263434391 ZLNCRQIEDAOUFF-LBELIVKGSA-N 390.362 1.506 0 50 GDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1csc(-c2cnccn2)n1 426581308 RBPCTMYZXRVLJX-CYBMUJFWSA-N 383.481 1.580 0 50 GDAA Cc1cc(C(=O)NCCc2nc3ccccc3n2C)c2c(O)nc(=O)n(C)c2n1 426544894 CQFFGZPDOICICJ-UHFFFAOYSA-N 392.419 1.202 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(c3ncon3)CC2)o1 426716847 IZIKONWTKHPJDI-INIZCTEOSA-N 387.440 1.068 0 50 GDAA Cc1c(Cl)cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)cc1Cl 95374393 FTNWRQMGJBZBER-LLVKDONJSA-N 381.281 1.692 0 50 GDAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)C2)n1 96150355 KGSMBJVTSHDQGQ-AWEZNQCLSA-N 377.470 1.935 0 50 GDAA O=C1NCCN(Cc2ccccn2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 55165923 NKKSBMILUAVPFH-HXUWFJFHSA-N 393.491 1.121 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)Cn2nc3ccccc3n2)cc1 827864376 LCNGMGHGRQIJFK-UHFFFAOYSA-N 387.465 1.225 0 50 GDAA CCC[C@H](NC(=O)N1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1)C(=O)O 822778883 BZCVBTZTLMVALB-NSHDSACASA-N 389.378 1.889 0 50 GDAA C[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(O)c(F)c1 584901245 ZAAWJVKXRLOHCW-AWEZNQCLSA-N 378.448 1.542 0 50 GDAA CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](C(=O)O)C2)c1 269202097 RUFRYTVBZYPBKD-MRVPVSSYSA-N 376.228 1.399 0 50 GDAA O=C(CCNC(=O)C1CCC1)NC[C@H](O)COc1ccccc1Br 1875262848 WRIJLCDEUCXBDW-ZDUSSCGKSA-N 399.285 1.611 0 50 GDAA NC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccccc1OC(F)F)C2=O 1875266487 VACMDLUKOLGRSY-VOJFVSQTSA-N 381.379 1.910 0 50 GDAA C[C@@H]1CN(c2nc3ccccc3cc2C(N)=O)CCN1c1ccc2nncn2n1 1875360921 NOVPMXABNQFBOX-CYBMUJFWSA-N 388.435 1.487 0 50 GDAA O=C(Cn1cncn1)N1CCC[C@H]([C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1875322458 UFWAYKQBCDHJTR-DLBZAZTESA-N 385.512 1.946 0 50 GDAA Cc1cc(C(=O)N2CCc3c(cnn3C)[C@H]2C(N)=O)c(Br)s1 1875395546 DIIBOKJZLSGQMH-NSHDSACASA-N 383.271 1.777 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)C1(n2cncn2)CC1 1875402192 BINIRAYTLKTCBE-KBAYOESNSA-N 392.463 1.587 0 50 GDAA Cc1nc(C(=O)NC2(CCO)CCCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403966 NHCRJXIUVIXDAK-MRXNPFEDSA-N 375.517 1.659 0 50 GDAA Cn1cnnc1N1CCN(C(=O)NCc2noc(-c3ccccc3F)n2)CC1 888101815 HSKSCNLBPCAKRP-UHFFFAOYSA-N 386.391 1.036 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCO2)o1 275313402 OCUJYKCNUPTBED-OAHLLOKOSA-N 395.437 1.556 0 50 GDAA O=C(O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 1506416427 GORGLDLJFKORQZ-HNNXBMFYSA-N 380.466 1.941 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)NCc1cnn(Cc2ccccc2)c1 11817542 QMWKBUNXWMVHHF-UHFFFAOYSA-N 382.472 1.075 0 50 GDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 12718172 CFKRJWCOGZLSAH-MRXNPFEDSA-N 383.452 1.390 0 50 GDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3Cl)C[C@H]12 14742295 KBDCYAZHRJCQSJ-QZTJIDSGSA-N 397.862 1.734 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3ccco3)C2=O)cc1 206231113 MCAOPBXLYMVBTF-QGZVFWFLSA-N 385.420 1.500 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccc2)CC1 206237867 HXMRKGAYXBUZMR-GOSISDBHSA-N 396.447 1.829 0 50 GDAA CCNC(=O)N1CCC2(CC1)OCCc1cc(OC[C@@H]3CCC(=O)N3)ccc12 1857676465 HQLIQVYWPNCURB-INIZCTEOSA-N 387.480 1.937 0 50 GDAA CN1CC[C@]2(C(=O)NCc3ccon3)CCCN(C(=O)c3cccc(O)c3)[C@H]2C1 1857690446 DBGZLIGKWPOQLS-GHTZIAJQSA-N 398.463 1.623 0 50 GDAA O=C(CCc1cccnc1)N1CCO[C@]2(CCN(C(=O)c3cccc(O)n3)C2)C1 1857694863 KUOUGILAVUCNEH-OAQYLSRUSA-N 396.447 1.259 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 1857695662 SKJIZSAQRMOHAF-MJBXVCDLSA-N 376.400 1.505 0 50 GDAA COc1cc(OC)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1OC 1857712478 PIDAZAQYSJEXSH-CKFHNAJUSA-N 376.453 1.694 0 50 GDAA COc1cc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc2c1OCO2 1857731138 LRRXPQCLMYLIRK-JYJNAYRXSA-N 387.436 1.684 0 50 GDAA O=C(c1ccc(CO)cc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857734922 YZLMFIIONILGJR-SFTDATJTSA-N 397.475 1.488 0 50 GDAA Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CCO2)c1 112064649 YHHQMLSZDNVSRU-IBGZPJMESA-N 382.464 1.788 0 50 GDAA 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COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC 4502549 YSBQSWBYOSPABK-CQSZACIVSA-N 382.482 1.727 0 50 GDAA Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCCCC1 4513169 IOVDQURAPFUTQV-UHFFFAOYSA-N 382.482 1.407 0 50 GDAA CSc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 248268075 UGXODPDYLYWDTM-CFVMTHIKSA-N 396.534 1.621 0 50 GDAA COC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 10542080 BFRNTBBEVDHYGI-OAHLLOKOSA-N 396.509 1.870 0 50 GDAA Cc1cc(N2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)c2ccccc2n1 67588571 XOQFFQJEBTUJQN-OAHLLOKOSA-N 380.452 1.698 0 50 GDAA O[C@H]1CCN(Cc2cn(CC3CCN(C4Cc5ccccc5C4)CC3)nn2)C1 23232441 RIHDEVSWDMDSKY-QFIPXVFZSA-N 381.524 1.724 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 67622025 PGWHCQCYNJZJAL-INIZCTEOSA-N 393.509 1.491 0 50 GDAA Cn1ncc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)c1C(F)(F)F 328623497 JFTVFLJAEZTNJO-UHFFFAOYSA-N 391.419 1.934 0 50 GDAA COC(=O)c1sc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)c1C 2743750 QYWSNNWAFBIEKC-UHFFFAOYSA-N 390.343 1.947 0 50 GDAA Cc1cc(-n2cncn2)ccc1C(=O)NC1CCN(C2CCN(C)CC2)CC1 173349032 HWLYJDNVTODTOY-UHFFFAOYSA-N 382.512 1.864 0 50 GDAA COc1cccc(CN2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72419539 UYKODRODXURQGZ-UXHICEINSA-N 387.505 1.574 0 50 GDAA O=S(=O)(C[C@H]1CCCO1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 284591991 HVFXBDBONNFKQI-HZPDHXFCSA-N 378.454 1.149 0 50 GDAA CCc1c(C)nc2n(c1=O)CN(CCN1CCOCC1)CN2c1ccccc1 36128090 YAUWZODDGRIDTO-UHFFFAOYSA-N 383.496 1.815 0 50 GDAA CCCN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CCCC[C@@H]1O 72115993 SLDOYPVPDXQHIF-CVEARBPZSA-N 375.535 1.047 0 50 GDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 72442056 FXZCVLFCGDDOAK-UHFFFAOYSA-N 398.486 1.638 0 50 GDAA Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)n[nH]1 71749755 OWDJKIWWHIVVAM-GOSISDBHSA-N 397.527 1.501 0 50 GDAA O=C(NCCc1ccc(F)cc1)NCc1ccc(S(=O)(=O)CCO)cc1 240934487 JCKQPGVHXSCSSX-UHFFFAOYSA-N 380.441 1.634 0 50 GDAA CC(C)Cc1cc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)nc(=O)[nH]1 223064920 LYSLXOYAENODPH-UHFFFAOYSA-N 375.473 1.378 0 50 GDAA O=C(NCCc1cnc2c(Cl)cnn2c1)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 263354062 INQIPXWPXCKLGN-YVEFUNNKSA-N 377.832 1.822 0 50 GDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cn3cc(Cl)cnc3n2)C1 426440344 RYHNDEOXOJKVBP-LLVKDONJSA-N 388.815 1.684 0 50 GDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)C2CCOCC2)C1 426422689 AMTXEDJQNXZLCQ-KRWDZBQOSA-N 375.517 1.934 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)C2CC2)C1)N(CCO)Cc1ccccc1F 426440250 HKCTXHRYRNJERD-HNNXBMFYSA-N 377.460 1.978 0 50 GDAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)CN1C(=O)COc2cccnc21 95517776 GEGLDKCSUZHPMA-UHFFFAOYSA-N 379.376 1.516 0 50 GDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 95361855 SFVOJKLFLQALMU-KRWDZBQOSA-N 386.427 1.909 0 50 GDAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cn2cccnc2=O)C1 95526358 GNSWVDMEMMCCJY-SFHVURJKSA-N 398.507 1.665 0 50 GDAA O=C(c1cccs1)[C@H]1CCCN(C(=O)CN2C(=O)COc3cccnc32)C1 95503790 SRTDQDQHGGIDPZ-ZDUSSCGKSA-N 385.445 1.990 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)NC[C@@H](c1ccco1)N1CCCC1 95391125 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CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)cc1 262959359 JDYLZWFGSKJWIY-CZUORRHYSA-N 398.481 1.465 0 50 GDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[C@@H]1O 1704342874 FHBRSIOFQWTOIA-HOCLYGCPSA-N 375.393 1.591 0 50 GDAA O=C1CCN(c2ccccc2C(=O)N2CC[C@H]3[C@@H]2CCN3CC2CC2)C(=O)N1 2100473547 AGDGPBFJXOPHFT-ROUUACIJSA-N 382.464 1.832 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](NCc3ccnn3Cc3ccccc3)C2)cc[nH]1 2325785431 YFMQXYSFFDNFFU-MOPGFXCFSA-N 393.495 1.178 0 50 GDAA CN(CC(=O)N[C@H]1CCC[C@H]1NC(=O)[C@H]1CC12CCSCC2)C(=O)C1CC1 2325823771 DKYFDVLJZMSESX-OWCLPIDISA-N 393.553 1.542 0 50 GDAA O=C1C[C@@H](C(=O)Nc2ccccc2)NC(N2CCN(c3ccccc3)CC2)=N1 2435752 HDUBCZGTKGVCAT-SFHVURJKSA-N 377.448 1.692 0 50 GDAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2nc[nH]c2C1 2356154851 MVJFIZDFZBNNCI-CGSMKXTHSA-N 377.448 1.626 0 50 GDAA CCn1c(C2CCNCC2)nn(C[C@@H]2CN(Cc3ccccc3)CCO2)c1=O 65393697 SMGXLLIYUNGYSC-IBGZPJMESA-N 385.512 1.433 0 50 GDAA CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCCN2C)c1nnc2n1CCNCC2 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COc1ccc(CN2CCSCC2)cc1OC[C@H](O)CN1CCN(C)CC1 19773434 XKVYOPYKHRYZFM-GOSISDBHSA-N 395.569 1.231 0 50 GDAA CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(Cl)s1 367453991 JWGIIGNUULSGSH-UWVGGRQHSA-N 399.943 1.852 0 50 GDAA O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NC[C@@H]1Cc2ccccc2O1 497662534 BVKAXSMPEUZWMR-LBPRGKRZSA-N 381.392 1.502 0 50 GDAA COc1ccc(CNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1Cl 163163240 YNQPOQCSLGAITI-AWEZNQCLSA-N 391.859 1.995 0 50 GDAA CN(C)CCN1CCC(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 265895490 LVBPNXNOTXUCQF-OAQYLSRUSA-N 388.556 1.277 0 50 GDAA C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccnc(-c2ccco2)c1 932116010 KKFSPPUFCLLRTI-AEFFLSMTSA-N 384.480 1.819 0 50 GDAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)n1cc(Cl)cn1 2325823827 FZWPTMLRRXISKI-JTDRMQGGSA-N 382.848 1.060 0 50 GDAA Cc1ccc2nc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cn2c1 861662747 FYGSBKYYWVTPJD-NSHDSACASA-N 378.376 1.195 0 50 GDAA COc1ccccc1CN1C[C@H](C(=O)NCc2cn3c(n2)SCC3)CC1=O 20325561 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Cc1nc([C@H]2COCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)no1 378607792 LQKYCGZOBQBLLQ-QZTJIDSGSA-N 398.463 1.759 0 50 GDAA Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)nn1-c1cccc(Cl)c1 376961316 OUGFKRFOEXILIP-LSDHHAIUSA-N 376.844 2.408 0 50 GDAA CC1(Cn2cc(C(=O)NCc3ccncc3OC[C@H]3CCOC3)nn2)COC1 377115875 FFZAMRCTFKGYGB-AWEZNQCLSA-N 387.440 1.055 0 50 GDAA CCC[C@H]1NC(=O)N(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)C1=O 242305006 YTZZFNBBCDJZHJ-MSOLQXFVSA-N 384.480 1.714 0 50 GDAA O=C(Nn1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O)c1cccnc1 40388287 FBQGIDLINPOYKN-UHFFFAOYSA-N 383.371 1.885 0 50 GDAA O=C(c1snc(O)c1Cl)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 285925979 FFWGXYHKYTVGCI-ZCFIWIBFSA-N 397.766 1.870 0 50 GDAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1csc(Cc2ccccc2)n1 223436164 BDGDHQWMLSNBSL-HIFRSBDPSA-N 376.434 1.722 0 50 GDAA CN(Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1nncn1C 290245983 VGLCWQNRLULXJZ-UHFFFAOYSA-N 379.892 1.812 0 50 GDAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCN(CCn2cncn2)CC1 426548859 RWKRBQVTEBQRBO-HXUWFJFHSA-N 397.527 1.270 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)c2ccccc2F)C1 426555508 LALUJCPHAVJZKA-HNNXBMFYSA-N 387.459 1.806 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(Cc1cnc(N3CCCC3)s1)CCN2C 91364813 XVYWFVRVJANNFA-LJQANCHMSA-N 377.558 1.872 0 50 GDAA O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccccc1 239025557 BTQJJCMOGKDUQE-AQPSJQEXSA-N 380.400 1.221 0 50 GDAA NC(=O)C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 95529129 GWKNAPYUFTYJFT-HXUWFJFHSA-N 385.508 1.359 0 50 GDAA CC(C)c1nc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)cs1 91892792 SNHKALXOVBGQTF-HZPDHXFCSA-N 380.558 1.585 0 50 GDAA COCCN1CCC(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1 97785525 WRAZNEAOEHXMGX-UHFFFAOYSA-N 389.496 1.338 0 50 GDAA Cn1ccc2ccc(CN3CCCn4nc(CNS(C)(=O)=O)cc4C3)cc21 91914956 WVJCEXVOYQCNIJ-UHFFFAOYSA-N 387.509 1.830 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 95373769 GGGSQSAYZQJRSV-GOEBONIOSA-N 384.411 1.758 0 50 GDAA C[C@H](O)C(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 95510626 PNNFENJUVCQUAK-ZDUSSCGKSA-N 397.903 1.382 0 50 GDAA CN(CCO)Cc1nnc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n1C 96140332 RRHVZWFYSAEVKF-UHFFFAOYSA-N 383.500 1.495 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)COc1ccccc1Cl)CC2 95371501 GCXYLTYVJPXHDS-GFCCVEGCSA-N 380.828 1.643 0 50 GDAA Nc1nc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc4c(c3)CCO4)C2)cs1 827597852 VUZGNKWLRGVZGS-LBPRGKRZSA-N 386.477 1.942 0 50 GDAA Cc1noc(COCC(=O)N2CC[C@@](c3nc(C)no3)(C(F)(F)F)C2)n1 952895996 ZWGQQXMSBJWKJK-CYBMUJFWSA-N 375.307 1.319 0 50 GDAA O=C(O)[C@@H](c1ccc(F)cc1)N1CCOC[C@]2(COC[C@H]3CCCCN32)C1 1875291456 ZUZGQWZPXSIDHQ-GGPKGHCWSA-N 378.444 1.907 0 50 GDAA O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1cccnc1C(F)F 1875270153 CECQSVVZBVOBHR-UHFFFAOYSA-N 377.351 1.315 0 50 GDAA Cn1nc2c(c1C(=O)NC1CCN(c3nc4ccccc4[nH]3)CC1)COCC2 1875318067 CNBGPERPIDQDOP-UHFFFAOYSA-N 380.452 1.768 0 50 GDAA C[C@@]1(NC(=O)c2scc3c2OCCO3)CCN(C(=O)Cc2cscn2)C1 1875309292 FJZNEIHAYCPLGN-QGZVFWFLSA-N 393.490 1.939 0 50 GDAA COc1ccc([C@@H](NC[C@H]2C[C@@H](O)CN2c2cc(N)ncn2)C2CC2)c(F)c1 1875399567 CWOFWFQKFZROMG-JZKQVHKSSA-N 387.459 1.887 0 50 GDAA CC(C)c1nc(CN[C@@H]2CCN(c3cc(=O)n(C)c(=O)n3C)C2)c2ccccn12 1875397906 STPGLGMRGVVEKX-OAHLLOKOSA-N 396.495 1.224 0 50 GDAA O=C(NC[C@H]1CCN(Cc2nnnn2-c2ccccc2)C1)C1(F)CCOCC1 1875303339 OWMMFCUBSWUEST-OAHLLOKOSA-N 388.447 1.119 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@H](OCc2ccccn2)C1 952991407 RFZFRQZRAGNDGB-LJQANCHMSA-N 396.495 1.201 0 50 GDAA CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2cc(F)ccc2F)CC1 888103370 FEJKWBLBFSQQAI-RTBURBONSA-N 392.450 1.944 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(c3cc(CC(C)C)ncn3)CC1)OC2 1775962069 QWABGWNFMCRVBK-UHFFFAOYSA-N 384.484 1.801 0 50 GDAA CCc1nocc1C(=O)N1CCCCC12CC(NC(=O)[C@H]1CC(=O)N(C)C1)C2 1775997860 SWZXEWUURINSNW-LTQQYIGLSA-N 388.468 1.359 0 50 GDAA Cn1ccnc1[C@](O)(CCNC(=O)Cc1c[nH]c2cnccc12)C(F)(F)F 1343873749 ZRKDLECHBJYYRG-MRXNPFEDSA-N 381.358 1.795 0 50 GDAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273248749 DHPSRIMYVMMVEA-ZDUSSCGKSA-N 395.460 1.046 0 50 GDAA CN1C[C@@H]2C[C@H](N(C)Cc3cc(=O)n4nc(C5CC5)sc4n3)C[C@@H]2CC1=O 1704328043 WTVZHPRAXIRXNI-VNHYZAJKSA-N 387.509 1.717 0 50 GDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 1616134448 BYWHHNJVTVOBRQ-ONGXEEELSA-N 377.750 1.457 0 50 GDAA COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 2280936 NHTZIUYICKNSFN-GZTJUZNOSA-N 398.415 1.693 0 50 GDAA Cc1nonc1CC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@]2(CO)C1 1772809800 FZYDBMYOZADTND-BEFAXECRSA-N 390.871 1.527 0 50 GDAA CC(C)(C)c1ccc(CN2CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)cc1 1772710681 DEIKMNLUYSQZDP-UHFFFAOYSA-N 381.480 1.831 0 50 GDAA CC(C)(C)c1ccc(C(=O)NCCCn2cc(C(=O)N3CCOCC3)nn2)cc1 12029858 CELATMOZVWIGCN-UHFFFAOYSA-N 399.495 1.868 0 50 GDAA COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 13856427 XSHCPRJPJNWZND-QGZVFWFLSA-N 385.395 1.804 0 50 GDAA CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O 14541842 XJRQXCVETFYKCM-ZWKOTPCHSA-N 390.553 1.655 0 50 GDAA Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccccc4)C(=O)N3C2)c1 14748279 GGNHBWBTZQTLCA-OTWHNJEPSA-N 377.444 1.435 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(O)c(OC)c1)NN2Cc1ccccc1 19169175 DUIDWOYQQPTERY-QRVBRYPASA-N 381.432 1.836 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(SC)nc3)C2)CC1 19228529 KMQLXLZSGDEMLH-MRXNPFEDSA-N 379.530 1.937 0 50 GDAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)nn2)n1 169780433 SGDIDVVSJCRXSA-GFCCVEGCSA-N 382.380 1.706 0 50 GDAA CC(C)(O)[C@H](O)C(=O)N1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1 1857527954 LLGDZZYKGXNGCN-GITGVNTFSA-N 396.509 1.309 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@H]4[C@@H]3CC(=O)N4C3CCOCC3)c2n1 1857687894 KQKGXRONGHPMIC-IRXDYDNUSA-N 397.479 1.649 0 50 GDAA C[C@@H](O)[C@H](NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1)C(N)=O 1857708311 NAVQMBYMJFMYCM-OTYXRUKQSA-N 380.832 1.049 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cnn4cccnc34)C[C@H]2CO1 1857729021 RHXCWRUBXAPBJM-PMPSAXMXSA-N 395.467 1.085 0 50 GDAA Cc1cccc(OCC(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1C 1857732418 PKVPWVGPTOGSKB-BZSNNMDCSA-N 389.496 1.118 0 50 GDAA NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 1444296 OXVXWJPDHRXBQR-UHFFFAOYSA-N 379.463 1.336 0 50 GDAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 2865799 VISRDGKWPMETTC-UHFFFAOYSA-N 384.421 1.790 0 50 GDAA Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccccc2Cl)n(C)c1=O 4808906 HPVKTSPJZNXBMT-UHFFFAOYSA-N 394.840 1.312 0 50 GDAA biogenic CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)c1 4868214 XQYCKVDMIXSCAE-OAHLLOKOSA-N 385.420 1.487 0 50 GDAA CCOC(=O)CNC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12465736 CSOSKKCCNSTIQT-LBPRGKRZSA-N 389.499 1.011 0 50 GDAA CCOC(=O)CCN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14541451 CVGWEIGQOYKHJI-OAHLLOKOSA-N 376.501 1.929 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)CC1 16577231 YIFMVPGLSDFIHB-UHFFFAOYSA-N 383.470 1.387 0 50 GDAA O=C1CCCN1C[C@@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 19973753 ZJDOKZPRPXXILV-MRXNPFEDSA-N 388.497 1.078 0 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1.991 0 50 GDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(-n2cccn2)ccc1Cl 67983347 SDWHMBIHMZXHPX-LRDDRELGSA-N 375.860 1.592 0 50 GDAA CN(C)CCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71750564 PLAKTPFCKGKUEF-HXUWFJFHSA-N 387.572 1.778 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1OC 72117567 YHRHFMXMRAALRM-UHFFFAOYSA-N 385.468 1.831 0 50 GDAA Cc1cccc(-n2nc(Cc3ccccc3)n(CC(=O)NC[C@@H](C)O)c2=O)c1 77376003 FODHTKUHPRJVRQ-MRXNPFEDSA-N 380.448 1.430 0 50 GDAA COc1cc2c(cc1CN1CCC3(CC1)CN[C@H](C(=O)O)C3)OCCCO2 82087739 HWVYWMIMLIDDKK-HNNXBMFYSA-N 376.453 1.885 0 50 GDAA Cc1cc(CC(=O)N[C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)on1 82156616 DXKVRMNSYWCWBS-OAHLLOKOSA-N 377.466 1.885 0 50 GDAA Cc1nc(C)c(C)c(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)n1 91987264 OHJMVWDKWQXOHA-MSOLQXFVSA-N 375.517 1.709 0 50 GDAA CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 95359050 FBBCQDPSUGSGHB-DLBZAZTESA-N 381.480 1.994 0 50 GDAA O=C(Cn1ncc(N2CCCCC2)cc1=O)N1CCC(Cn2cccn2)CC1 95499581 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384.368 1.359 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNC(=O)N[C@H](C)CCn3cccn3)cc2C1 534654334 JVAFLOXKKMKACN-OAHLLOKOSA-N 387.488 1.356 0 50 GDAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CCN1 825169510 MLTCLSMUEVGRIS-LJQANCHMSA-N 377.448 1.666 0 50 GDAA C[C@@]1(F)CCCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 836394444 NIQNXNHZECMBOK-QGZVFWFLSA-N 399.492 1.519 0 50 GDAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)CC2 836955022 PBRNFJJYVRRFBA-AWEZNQCLSA-N 383.326 1.833 0 50 GDAA COc1cc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2C(C)C)c(OC)cc1Cl 952967478 ZWWHTCKIBJXFKJ-OAHLLOKOSA-N 390.889 1.845 0 50 GDAA Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)ccc1C(N)=O 1443622781 YDVOLQUBYBFWCB-MAUKXSAKSA-N 399.422 1.376 0 50 GDAA COc1ccc(NC(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1OC 1704305488 WTJGWCLGGGBFES-FUHWJXTLSA-N 380.441 1.603 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@H]2CNCC[C@H]2OC)ccc1F 1704329903 DEHPURNSQQQHJV-UONOGXRCSA-N 392.431 1.662 0 50 GDAA COc1ccnc(CN2CCCN(C(=O)c3nn(C)cc3Cl)CC2)c1OC 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COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1C 225829706 SNTPEWGBBWYWLN-ZDUSSCGKSA-N 390.465 1.722 0 50 GDAA COc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55120294 BNMTUUGTMFAYIT-SFHVURJKSA-N 385.439 1.841 0 50 GDAA O=C(c1cc[n+]([O-])cc1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55271399 ZVSPPOWSITUWGK-FQEVSTJZSA-N 384.455 1.886 0 50 GDAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(-c2ccccc2)nc2ccccn12 67769913 QKCWSMHHKMSHKO-MRXNPFEDSA-N 377.448 1.438 0 50 GDAA Cc1ccc(-n2nc(C(=O)N3CCO[C@H](C(F)(F)F)C3)c(O)cc2=O)cc1 71746629 XBSZLAYSEHPSNB-ZDUSSCGKSA-N 383.326 1.650 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3nnn(Cc4ccccc4)c3C)C2)n[nH]c1=O 67774607 WICHWYXTTZVKTI-INIZCTEOSA-N 395.467 1.559 0 50 GDAA COC(=O)c1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)nn1C 12427788 XTXBOMDYTNFGSV-UHFFFAOYSA-N 394.434 1.472 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3cccc4nonc34)C2)n1 328613522 SGBZJIICJHMKHM-HNNXBMFYSA-N 379.398 1.011 0 50 GDAA C[C@@]1(c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2)NC(=O)NC1=O 363131179 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COCC(=O)N1CCCN(C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 95525353 KIUJCOFAHSSXDM-UHFFFAOYSA-N 385.468 1.952 0 50 GDAA O=C1NCCN2CCN(C(=O)Nc3cccc(OCc4ccccc4)c3)C[C@H]12 95501115 JDVQHSHCZOFZKM-LJQANCHMSA-N 380.448 1.914 0 50 GDAA Cc1nc(SCCNC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n[nH]1 426648165 QOJDYXZEZMMHLQ-ZDUSSCGKSA-N 378.433 1.227 0 50 GDAA O=C1NCCCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H]1Cc1ccccc1 294556144 WLBKNYYXLNMXQW-IBGZPJMESA-N 390.443 1.356 0 50 GDAA CCCCN1C[C@@]2(CCCN(C(=O)c3c[nH]nc3-n3cnnn3)C2)CCC1=O 91452720 WJMWIHKUJPSBCH-GOSISDBHSA-N 386.460 1.030 0 50 GDAA CCCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(Cc2nc(C)c(C)n2C)C1 96130492 KFFIGDXMFJPMMW-SJORKVTESA-N 377.533 1.765 0 50 GDAA Cc1nc(CCNC(=O)Nc2cccc(-c3nnn(C)n3)c2)nc2c1CCC2 97785408 KIUUHDORWAOJHG-UHFFFAOYSA-N 378.440 1.828 0 50 GDAA COCCn1cnnc1CN(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95506307 IQZTVEUECVVMQD-UHFFFAOYSA-N 382.424 1.127 0 50 GDAA O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(OCC(F)F)cc1 182680431 MDFUIWMEHNVIIZ-AWEZNQCLSA-N 376.425 1.472 0 50 GDAA Cn1cc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c(O)nc1=O 253535436 PSOXBEDSSOTXON-QEORTHHSSA-N 380.404 1.276 0 50 GDAA O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCO[C@@H]2CCCC[C@@H]21 299602742 GKCGLNOXORJJKT-JKSUJKDBSA-N 394.435 1.147 0 50 GDAA COc1ccc(C2(C(=O)NCCS(=O)(=O)N(C)C)CCCC2)cc1OC 291462791 DNTAIAMMWOJBBK-UHFFFAOYSA-N 384.498 1.523 0 50 GDAA COc1cccc(N2CCN(C3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2=O)c1 670446508 IBJVEFNPGGFUMN-IBGZPJMESA-N 387.480 1.514 0 50 GDAA CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)nc2)CC12COC2 1875290589 RGVCKUXWKQHCNA-CQSZACIVSA-N 382.482 1.579 0 50 GDAA CCN1CC2(CCN(c3nc(=N)[nH]c(=Nc4ccccc4)[nH]3)CC2)[C@@H]2COC[C@@H]21 1875287824 AWGNYUHBLICCBH-SJORKVTESA-N 395.511 1.387 0 50 GDAA O=C([C@H]1CC[C@@](O)(c2ccccc2)C1)N1CCC(n2ccc(O)nc2=O)CC1 1875310196 IKXMAIGJAJITLX-BTYIYWSLSA-N 383.448 1.800 0 50 GDAA C[C@@H]1COC[C@@](CO)(CN[C@H]2COCc3ncccc32)N1Cc1ccccc1 1875392620 KVJVIJSQHQWYGP-WTNAPCKOSA-N 383.492 1.895 0 50 GDAA CN(C)C(=O)C12CC(CNC(=O)c3coc4ccccc34)(C1)OC21CCNCC1 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O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc2c(c1)OCO2 19877400 ICSOBGPNJQKMED-OAHLLOKOSA-N 380.404 1.264 0 50 GDAA C[C@H](O)C(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCCC3)cc12 1857681725 DAJRJVFSXIIMIM-ZDUSSCGKSA-N 378.494 1.755 0 50 GDAA CCCc1nc(C(=O)N2CCO[C@@]3(CCN(c4nccc(=N)[nH]4)C3)C2)cs1 1857685020 AAXJBIBUWLRQPW-SFHVURJKSA-N 388.497 1.420 0 50 GDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)N3CCOCC3)sc12 1857689625 UGRTZVGBELQYKZ-UHFFFAOYSA-N 380.466 1.169 0 50 GDAA O=C(Cc1cccnc1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccccn2)C1 1857693197 MLLJGKCMKRYRRN-UGKGYDQZSA-N 393.491 1.449 0 50 GDAA O=C(CCn1ccc(O)nc1=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857698084 WMGIAZRWHUPONS-UHFFFAOYSA-N 379.420 1.357 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1NC(=O)Cc1ccccc1C 1875251077 VEMHXPWXVQGFAM-RCCFBDPRSA-N 389.496 1.219 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)COc1ccc(F)cc1 247843878 GGGSQSAYZQJRSV-ZBFHGGJFSA-N 384.411 1.758 0 50 GDAA C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H](O)c1ccccc1 809215796 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C=CC(=O)N1CCCc2cc(C(=O)N3CC(=O)N(CC(F)(F)F)C3)ccc21 1875372191 YZUMVXKEHCYLBG-UHFFFAOYSA-N 381.354 1.956 0 50 GDAA OC[C@@H](N=c1ncnc(N2C[C@@H]3CNC[C@@H]3C2)[nH]1)c1cccc(C(F)(F)F)c1 1875312849 CJEBXHXMHIAULQ-VNHYZAJKSA-N 394.401 1.113 0 50 GDAA O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@]1(CO)CCCO1)c1ccccc1 1875329352 RNNRLOOSJQICIW-DENIHFKCSA-N 382.460 1.685 0 50 GDAA COC(=O)c1sc(Cl)cc1NC(=O)C(=O)N1CCCNC(=O)C1(C)C 1875334721 AWBRWVGXWODQIG-UHFFFAOYSA-N 387.845 1.254 0 50 GDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 952986879 IWBVVEQPFHMXCL-GOSISDBHSA-N 387.480 1.632 0 50 GDAA CCc1noc(CN2CCC[C@H](CNC(=O)c3ccccc3-n3cncn3)C2)n1 952970846 QLCXFMQCDFDMBK-OAHLLOKOSA-N 395.467 1.855 0 50 GDAA CCCCC(=O)N1CCN([C@H]2CCCN(C(=O)C(C)(C)COC)C2)C(=O)C1 1775989593 QJYHDGJBNYFGQE-INIZCTEOSA-N 381.517 1.511 0 50 GDAA CC(C)n1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2CC3CCC2CC3)nn1 1775992272 QJDABNGEKLMWAI-BHUNQDJPSA-N 389.500 1.643 0 50 GDAA CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)CCO2)o1 275273785 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377.537 1.561 0 50 GDAA CCc1nc(C)c(CNC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1 534673056 PSAFIKSDVHYVBZ-UHFFFAOYSA-N 379.486 1.582 0 50 GDAA COc1cccc2c1OCCCN(C(=O)NC[C@@H]1CCCN(CCO)C1)C2 534641750 RXLWZZVJQIMEPM-INIZCTEOSA-N 377.485 1.694 0 50 GDAA Nc1ccc(C(=O)N2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)cn1 827561387 MGXTTXOAANTLPV-UHFFFAOYSA-N 396.447 1.717 0 50 GDAA CC(=O)N1CCC2(CC1)CN(CC(=O)NCCc1ccc(F)cc1)CCO2 827836758 CVZSCEPPJOEIKA-UHFFFAOYSA-N 377.460 1.198 0 50 GDAA CC(C)c1nc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)no1 670472890 BFBIROVYZZJWCG-UHFFFAOYSA-N 384.483 1.969 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccccc3COC)C2)n1 1875397079 KMXQCCQXMNFCBU-GOSISDBHSA-N 383.496 1.968 0 50 GDAA Cc1nc(C(=O)N(C)CC(=O)N2CCN(C)CC2)c(Cc2ccccc2)s1 1875317959 HSZQNROXTSHXQS-UHFFFAOYSA-N 386.521 1.888 0 50 GDAA CN1CCC(c2nc(C(F)(F)F)n3c2CN(C(=O)Cn2cncn2)CC3)CC1 1875394671 RHCAXSNUOXRGTG-UHFFFAOYSA-N 397.405 1.345 0 50 GDAA CCOCCCn1c(-c2cncnc2O)nnc1N1C[C@]23CC[C@@]2(COC3)C1 1875277812 GZCQTPNNIUWVGL-OALUTQOASA-N 386.456 1.484 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccnc1-n1cncn1 1875256010 KMHCZKGGUIBXDS-UHFFFAOYSA-N 379.348 1.911 0 50 GDAA Cc1ccnc(NC[C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC23CCOCC3)n1 888103377 FXVOKSHXZMQXCY-KRWDZBQOSA-N 397.479 1.465 0 50 GDAA NC(=O)c1cc2n(n1)CC1(CCN(C(=O)NCc3ccsc3)CC1)OC2 1775961933 JFHZQXXBTGIAQB-UHFFFAOYSA-N 375.454 1.318 0 50 GDAA C=CC(=O)N1CCC(C(=O)NC2(C)CN(C(=O)OC)C2)(c2ccccc2)CC1 1353798702 FEZQFGHLKVTKOL-UHFFFAOYSA-N 385.464 1.690 0 50 GDAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCSC3(CCOCC3)C2)cc1 274458638 GZWLNSOBXHGMFU-QGZVFWFLSA-N 380.510 1.983 0 50 GDAA CC(C)n1cc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 408500410 PUTJWVVRFDCTFJ-CYBMUJFWSA-N 384.502 1.554 0 50 GDAA Cc1cc(C)n2nc(C(=O)NCC3CCN(Cc4nc(C)c(C)o4)CC3)nc2n1 111154208 MHHBAHGWURBHQN-UHFFFAOYSA-N 397.483 1.988 0 50 GDAA COCCc1noc(CN2CCC[C@H](CNC(=O)c3csc(C)n3)C2)n1 1506403554 NAQDCEFMRJSEPV-CYBMUJFWSA-N 379.486 1.665 0 50 GDAA NCCN1C[C@]23CC[C@H](O2)[C@H](C(=O)Nc2nc4c(F)cccc4s2)[C@@H]3C1=O 1529167606 KMBOHZWDIBNNGI-FSAGPHNTSA-N 390.440 1.339 0 50 GDAA COc1ccc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c2ccccc12 1529144101 KCLVLCYCTLTKHA-MAUKXSAKSA-N 378.494 1.533 0 50 GDAA CO[C@@H]1C[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O 1704329675 XVRZGCXZKTUXMY-HSALFYBXSA-N 375.513 1.096 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)no1 1772701272 KFWUHEOFJPUBGQ-UHFFFAOYSA-N 384.392 1.266 0 50 GDAA CN(C)C[C@]12CN(Cc3ccsc3)C[C@@H]1CN(C(=O)c1ccc(N)nc1)C2 1772815649 QWKYGAZYASADCW-YLJYHZDGSA-N 385.537 1.861 0 50 GDAA COc1cc(N2C[C@H]3COC[C@@H]2CN(Cc2cnn(C(C)C)c2)C3)nc(N)n1 1772710932 XFWCGWBZPNGXEK-HOTGVXAUSA-N 387.488 1.182 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCOC(C)C 11840992 JPYNJZZTZNLPAR-SFHVURJKSA-N 391.512 1.707 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)o1 12024047 ZIJMJFXUKFHKOI-OAHLLOKOSA-N 377.441 1.206 0 50 GDAA COc1cccc(C(=O)NCCn2cc(C(=O)Nc3ccccc3)nn2)c1OC 12041597 JNJBDSLBBQJANG-UHFFFAOYSA-N 395.419 1.978 0 50 GDAA CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccccc1)S(C)(=O)=O 13685936 YIQFQHGOUQIAPR-INIZCTEOSA-N 375.450 1.969 0 50 GDAA Cc1[nH]nc(CCC(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c1C 1857673426 SEFRVPYSKMERMH-PMACEKPBSA-N 396.491 1.988 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cncnc3C)CC(=O)N2[C@H]1c1ccccc1 1857717066 IZNKEPQYRWNYJU-BXWFABGCSA-N 394.431 1.372 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC[C@H]1O 1857717614 QCNFZLAVRSDOQJ-AEFFLSMTSA-N 384.498 1.068 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(c3nccs3)C[C@]23CC[C@H]1O3 1857723717 SBRDVTMYUXZASS-XSUJLISDSA-N 377.495 1.717 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c(C)o1 262035144 PRVCFSHZLDELHJ-OAHLLOKOSA-N 397.884 1.936 0 50 GDAA CN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H]1CCCN(Cc2ccccc2)C1 266803064 CPRMISWDRUIVKH-INIZCTEOSA-N 390.509 1.409 0 50 GDAA CC(C)Cn1[nH]c(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1=O 821487274 JYTHOTWQGOBMDB-UHFFFAOYSA-N 377.489 1.125 0 50 GDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1ccc(C)nc1O)C[C@@H]2O 2100534915 ZQSRAYIHYILWTM-VQQMMKBISA-N 395.459 1.448 0 50 GDAA CCn1cc(Cl)cc1C(=O)NC[C@@]1(C)CCCN(Cc2nc(=O)n(C)[nH]2)C1 2325793170 JSDJNENYUBUWAC-GOSISDBHSA-N 394.907 1.615 0 50 GDAA O=C(c1cnc(N2CCCNCC2)cn1)N1Cc2cnn(-c3ccccc3)c2C1 2325795948 HLKLQFPZBPXCNN-UHFFFAOYSA-N 389.463 1.618 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2ccc(Cl)nc2)C1 2325803185 WKAJEOSRQNDIKK-LRDDRELGSA-N 392.868 1.781 0 50 GDAA CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)C1=O 912313537 FXZIGBKYTWUHIN-UEDWAMCQSA-N 383.492 1.213 0 50 GDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Cl)c2Cl)n(C)c1=O 851763 GINXIXQKYYJGOD-UHFFFAOYSA-N 382.207 1.379 0 50 GDAA aggregator,biogenic O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCOCC1 1201503 XNECHLKVXHXJPB-UHFFFAOYSA-N 393.399 1.394 0 50 GDAA CN1C[C@@]2(CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)C2)OC1=O 2356147358 SPBJFGQXTPFXFG-GOSISDBHSA-N 391.493 1.566 0 50 GDAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)Cn2ccnc2)CCCN1 2356161738 HQGVXDCGFZRARW-IBGZPJMESA-N 383.496 1.733 0 50 GDAA CSCC[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)O 4976756 WRIALLUIJNBLIE-CVCOIXHCSA-N 378.406 1.966 0 50 GDAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101072486 VPLJMMJJRRNISS-LLLJDESDSA-N 382.416 1.997 0 50 GDAA C[C@]1(c2cccc(-c3noc([C@@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)c2)NC(=O)NC1=O 351448368 UBRXNEQKLABUND-KBSBABRBSA-N 393.403 1.162 0 50 GDAA Cc1ncc2c(c1-c1nnn(CC(=O)Nc3cn(C(C)C)nn3)n1)CCCC2 20855784 XPWOQWAUCOBSJH-UHFFFAOYSA-N 381.444 1.733 0 50 GDAA CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 20664142 UVNAKMSTZIYPRS-UHFFFAOYSA-N 399.516 1.967 0 50 GDAA COC(=O)c1cc2n(n1)CCCN(C(=O)COc1ncnc3ccccc13)C2 65532476 HRVVFVNROQCRDM-UHFFFAOYSA-N 381.392 1.424 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)[C@@]13CCC[C@@H]1CN(Cc1ccccc1)C3)CC2 328604476 KCRFYJRYJGTVMH-AUSIDOKSSA-N 392.503 1.967 0 50 GDAA Cc1ccc(CN(C)C(=O)CN2C(=O)[C@H](Cc3cn(C(C)C)nn3)N=C2O)o1 328615484 YQCNMAHOUDCAHB-HNNXBMFYSA-N 388.428 1.086 0 50 GDAA Nc1nnnn1CC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12709537 ZFPGGSRNLKSFHE-GOSISDBHSA-N 391.426 1.048 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1OC 71376420 VXPCIQQCBCMELH-AWEZNQCLSA-N 383.514 1.455 0 50 GDAA CCN1C[C@]2(CCCN(C(=O)c3cc(-n4cnnn4)ccc3O)C2)CCC1=O 72435632 UTROWTNUPSHYBJ-IBGZPJMESA-N 384.440 1.233 0 50 GDAA CN1CCN(c2cc(NC[C@H](c3ccccc3)c3nc[nH]n3)ncn2)CC1=O 450871769 HQTNBNJSCBSRQO-OAHLLOKOSA-N 378.440 1.117 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)O)CC2 77505630 CINRXSQHWUVEMT-CQSZACIVSA-N 380.510 1.763 0 50 GDAA CC[C@@H](C(=O)Nc1n[nH]c(C(=O)OC)n1)n1nc(C(F)(F)F)c2c1CCC2 20607561 SWEBHMJITSALQW-QMMMGPOBSA-N 386.334 1.885 0 50 GDAA Nc1cc(-c2cccc(C(=O)NCCc3cn[nH]c3)c2)nc(N2CCCC2)n1 426628853 UXNPCSSDYSJVMP-UHFFFAOYSA-N 377.452 2.022 0 50 GDAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(C(=O)c2cnc[nH]2)CC1 95518002 RQKZLVCVQMCVEI-UHFFFAOYSA-N 384.436 1.994 0 50 GDAA CCCn1cnc2cc(NC(=O)NCCS(=O)(=O)N3CCCC3)ccc21 97076222 VPENLRXQSSNRHT-UHFFFAOYSA-N 379.486 1.993 0 50 GDAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1nc(C)c(Br)s1 180106422 WKHKDSYAGLZTFW-QMMMGPOBSA-N 392.304 1.927 0 50 GDAA C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 294252337 POZBAOIQIXFUSO-SJLPKXTDSA-N 399.499 1.098 0 50 GDAA Cc1nc(SCCNC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)n[nH]1 426648164 QOJDYXZEZMMHLQ-CYBMUJFWSA-N 378.433 1.227 0 50 GDAA COCCCN1CC2(CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)CC1=O 95367228 GFKUQUKJZZJGOQ-HNNXBMFYSA-N 378.473 1.772 0 50 GDAA Cc1cccc2[nH]c(CCN(C)C(=O)c3cc(S(N)(=O)=O)ccc3F)nc12 91461956 LEYDPOYSBNWJAQ-UHFFFAOYSA-N 390.440 1.973 0 50 GDAA CC(C)(N)c1cn(C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nn1 23580719 UGKCGVHNKAVMLX-LBPRGKRZSA-N 399.467 1.851 0 50 GDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCOCC1 239403181 RPAUZIPJAFTKEN-LTFXXXRZSA-N 380.444 1.264 0 50 GDAA COc1ccc(-c2noc([C@@H](C)NC(=O)N3CCC(O)CC3)n2)cc1OC 534637014 MWZFUMBOVRPYKS-LLVKDONJSA-N 376.413 1.981 0 50 GDAA COc1ccc([C@H](CC(=O)O)NC(=O)CCNC(=O)c2ccco2)cc1OC 262668878 QATDOJDGTCKNLB-ZDUSSCGKSA-N 390.392 1.749 0 50 GDAA CC(C)c1ccc([C@H](C)NC(=O)CN2CCN([C@@H]3COC[C@H]3O)CC2)cc1 1875299411 JTPILVJHSKWQFV-PWIZWCRZSA-N 375.513 1.365 0 50 GDAA C[C@@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3CN)nn2)C[C@H](c2ccc(F)cc2)O1 1875287772 YWJDQSZGAPBVCD-AXYPVASZSA-N 389.431 1.166 0 50 GDAA O=S(=O)(NC1CCCC1)c1ccc(N2CCC[C@H](Cn3ccnn3)C2)nc1 1875264946 BTTRYOSBFDPTNT-HNNXBMFYSA-N 390.513 1.811 0 50 GDAA Cc1nc(C(=O)NCC2(CO)CCCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403763 AWRPEZZALREELF-MRXNPFEDSA-N 375.517 1.516 0 50 GDAA COCCN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 952975257 DAFGDTBQWVOLTO-CQSZACIVSA-N 383.876 1.985 0 50 GDAA CC(C)c1cc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)nc2ncnn12 952963957 MBAUDUIYCBSIBY-LLVKDONJSA-N 393.407 1.945 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1 952963163 FYFRCZQLKPTBKT-UHFFFAOYSA-N 377.466 1.804 0 50 GDAA Cc1c(Cl)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)nn1C 1565506269 ZLZQNADHVAPYPP-OLZOCXBDSA-N 388.859 1.549 0 50 GDAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(C)c(C)s3)C2=O)n(C)n1 271398399 YGMPJLDVKIHLPV-CYBMUJFWSA-N 382.511 1.881 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc(OC)c(F)c2)C1=O 275366028 WLMUGOKFEVXQKX-AWEZNQCLSA-N 396.444 1.525 0 50 GDAA CN(CC(=O)O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 275678353 LYXSUNBVDCVTLI-ROUUACIJSA-N 387.480 1.433 0 50 GDAA CC(C)(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)N1CCCC1 1529092016 UEEWQCFYYWSZKW-SJORKVTESA-N 379.888 1.887 0 50 GDAA Cn1ncc2c(O)nc(CN3C[C@@H]4CNC[C@]4(CCc4ccccc4)C3)nc21 1772707112 KCHOIKNQKBAFRA-HRAATJIYSA-N 378.480 1.723 0 50 GDAA CCc1cc(CN2C[C@@H]3CN(c4nccc(N)n4)C[C@]3(CCC(=O)O)C2)on1 1772711042 VNLIPYLRDKQLFN-YJYMSZOUSA-N 386.456 1.412 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CN(C)C)C2)nn1C 1772809560 AGBUYSUCFQLMLO-BEFAXECRSA-N 388.541 1.321 0 50 GDAA COCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CC1CCCCC1 11663897 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394.501 1.709 0 50 GDAA COc1cccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)c1 4745635 DDNLODUKMWYXEY-UHFFFAOYSA-N 387.417 1.982 0 50 GDAA O=C(NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2)c1cccnc1 11995774 ZFUUDGJNJDCJRX-QGZVFWFLSA-N 380.496 1.860 0 50 GDAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N3CCNC(=O)CC3)nc(C)c2c1 12211206 GVOVAYYMGKDKNK-GOSISDBHSA-N 397.479 1.654 0 50 GDAA CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccccc1)S(C)(=O)=O 13685932 YIQFQHGOUQIAPR-MRXNPFEDSA-N 375.450 1.969 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCc1ccncc1 19782302 VUMZIAZPTQZHQV-QGZVFWFLSA-N 390.846 1.881 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc21 20051318 VRRVLCODDKBHNJ-UHFFFAOYSA-N 380.448 1.962 0 50 GDAA C[C@H]1CN[C@H](C)CN1c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67673447 VUCXKRQJNBSCSI-SJORKVTESA-N 387.528 1.205 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)n[nH]c1=O 67690826 HVROBOVLCZWDPB-ZDUSSCGKSA-N 379.424 1.463 0 50 GDAA CCNc1nc(C)c(C(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)s1 67851274 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CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)Cc2cscn2)CC1 96150765 SJVWEUSZJITLBO-UHFFFAOYSA-N 385.497 1.948 0 50 GDAA CCOC(=O)[C@H]1CCCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)C1 101529873 JKTXJKDVEZLINF-KRWDZBQOSA-N 399.491 1.606 0 50 GDAA aggregator COc1ccccc1-c1nn(C)cc1C(=O)N1CCN(c2ncccn2)CC1 127014700 YESFCZKDYMZSID-UHFFFAOYSA-N 378.436 1.848 0 50 GDAA O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)c1cc(-n2cccn2)ccn1 129367508 ZPKBLHOEGBLVOK-UHFFFAOYSA-N 398.386 1.942 0 50 GDAA COc1ccc(-c2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)[nH]n2)cc1 162873553 MXLVCOVYNWBXER-UHFFFAOYSA-N 396.451 1.866 0 50 GDAA CCCN1CCN(c2ccc(NC(=O)c3ccc(=O)n(C)n3)c(OCC)c2)CC1 170606080 LBPPWHPGIFMORX-UHFFFAOYSA-N 399.495 1.963 0 50 GDAA O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 172546965 UGTPILLKECQNKN-CQSZACIVSA-N 388.418 1.870 0 50 GDAA C[C@@H](NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(F)cc1F 248378045 ILGCSIDOVBBDCE-OCCSQVGLSA-N 389.468 1.546 0 50 GDAA COc1ccc(CCC(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1OC 262543212 RZJCOGIRYLOWOX-INIZCTEOSA-N 375.469 1.059 0 50 GDAA O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 262553812 XTHWUOMRHODMDO-GFCCVEGCSA-N 384.479 1.636 0 50 GDAA CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(C(=O)O)cc1 262594331 IPTKVZOIRJOGEA-UHFFFAOYSA-N 388.445 1.815 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 264256283 CNWYXNPYNPPRBP-LBPRGKRZSA-N 388.294 1.858 0 50 GDAA COc1ncc(NC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C(N)=O 273204902 IYLJJRMECDBSGN-LLVKDONJSA-N 393.444 1.568 0 50 GDAA COc1ncc(NC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C(N)=O 273204910 IYLJJRMECDBSGN-NSHDSACASA-N 393.444 1.568 0 50 GDAA Cc1cc2c(cc1C)O[C@H](c1nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o1)C2 328633440 LZZDVZTYMUYVFU-GJZGRUSLSA-N 379.438 1.696 0 50 GDAA COc1ccc(Cc2noc([C@H]3CCN(C)S3(=O)=O)n2)cc1OC(F)F 351337503 CMCGTXGWGMRPKD-GFCCVEGCSA-N 389.380 1.977 0 50 GDAA Cc1sc(=O)n(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCOCC2)c1C 367430756 QPJJMZXBLDVOTP-OAHLLOKOSA-N 397.497 1.377 0 50 GDAA O=C1C[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CN1Cc1ccco1 371630524 ZKBDPKQMGZAJQX-IRXDYDNUSA-N 375.469 1.341 0 50 GDAA COc1ccc(-c2nnc(NC(=O)N3CCOC[C@@H]3c3nc[nH]n3)s2)cc1 375497523 JCGZLFZOGKREEJ-GFCCVEGCSA-N 387.425 1.937 0 50 GDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1 408521021 FSYOYLWBSPBFFS-CQSZACIVSA-N 379.438 1.689 0 50 GDAA CCc1nnc(CNC(=O)c2cccc(-c3cnn([C@H](C)C(N)=O)c3)c2)s1 534580957 QMUCTZPBDBCFHO-LLVKDONJSA-N 384.465 1.940 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(-c3ccccn3)[nH]n2)cc1 670444597 JDHTZGWQKBVGDB-UHFFFAOYSA-N 399.476 1.879 0 50 GDAA Cn1cc(Cl)c(C(=O)N[C@]2(c3ccc(S(C)(=O)=O)cc3)CCOC2)n1 888100455 PEEUBPKSIOGGAL-MRXNPFEDSA-N 383.857 1.523 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 952874108 VOXYLBKITAGGGL-ZDUSSCGKSA-N 393.407 1.053 0 50 GDAA CCCCNC(=O)CN(C)Cc1ccc(OC)c(OCCN2CCOCC2)c1 952964511 NYBFYJBRIAVRSR-UHFFFAOYSA-N 393.528 1.754 0 50 GDAA COc1ccc(-c2noc([C@H](C)NC(=O)Cc3c(C)nc(O)nc3O)n2)cc1 952968635 KUMLIZCITKDVDO-JTQLQIEISA-N 385.380 1.675 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(O)(CN3CCCC3)CC2)cc1Cl 1506401171 MOVOKANCNVZLRH-UHFFFAOYSA-N 388.917 1.960 0 50 GDAA CNC(=O)CCC(C)(C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529104448 PKFNAPIGXKAMOV-MSOLQXFVSA-N 375.469 1.314 0 50 GDAA O=C(O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccc3nccn3c2)cc1 1565508505 SQCNCXNZCVKNLU-IRXDYDNUSA-N 381.388 1.999 0 50 GDAA CC1(C)NC(=O)N(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)C1=O 1704343866 KGPNOXWPCHDOIW-PBHICJAKSA-N 396.447 1.239 0 50 GDAA COCc1ccc(C(=O)N2CC[C@]3(NC(=O)C(=O)NCC4CC4)CCC[C@H]23)o1 1775990796 HMCFRQGOVGEEGC-OXJNMPFZSA-N 389.452 1.206 0 50 GDAA COc1ccc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1Cn1cncn1 1800408399 DSGQIVLEBMGCAK-QGZVFWFLSA-N 386.452 1.648 0 50 GDAA COc1ccccc1-n1cc(CN2CC[C@H]3[C@@H](C2)CN3C(=O)CNC(C)=O)cn1 1800413161 BXOFLXCHCKICPP-ROUUACIJSA-N 397.479 1.050 0 50 GDAA COCc1cnc(OC)c(C(=O)N[C@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@@H]2O)c1 1857531047 QECPZZNXERNMLC-RLCCDNCMSA-N 394.859 1.656 0 50 GDAA O=S(=O)(C1CCOCC1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857668028 CLXGWULLOVBBJQ-LJQANCHMSA-N 393.509 1.848 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(Cn4cnnn4)cc3)C[C@H]21 1857710557 CZLQXLQLEZHFDV-WQANXHIZSA-N 395.463 1.795 0 50 GDAA O=C(c1cccn2cnnc12)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857715038 YNOYAKVTODVFBB-FVJLSDCUSA-N 389.415 1.644 0 50 GDAA CC1CCN(CC(=O)NC[C@H]2[C@H]3CN(c4cnccn4)C[C@]34CC[C@H]2O4)CC1 1857715943 OZFCDVFNMUHGAM-XKGFGPFHSA-N 385.512 1.309 0 50 GDAA CCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3nsnc3C)[C@H]3CC[C@]2(C1)O3 1857718239 PUQKBOBAILMPHQ-SFDCBXKLSA-N 379.486 1.175 0 50 GDAA C[C@H]1CN2C[C@@H](NC(=O)CCSc3ccc4c(c3)OCCO4)C[C@H]2CO1 1857719276 HYULDUCQAOUCJA-KKUMJFAQSA-N 378.494 1.918 0 50 GDAA Cc1ncc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cn1 1857737246 CRWDBGWUNKIOTM-OALUTQOASA-N 384.484 1.587 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCCCO4)CC2=O)s1 1857741394 QMGVEAWWBKAEPA-ZDUSSCGKSA-N 388.449 1.677 0 50 GDAA Cc1cc(-n2ccnc2)ccc1C(=O)N1CCN(S(C)(=O)=O)CC1(C)C 1875261609 KHQBODVVZXLXRS-UHFFFAOYSA-N 376.482 1.677 0 50 GDAA O=C(c1cccc(F)c1)N1CCCN(C(=O)[C@H]2COC3(CCNCC3)C2)CC1 1875294275 PWOLEGHKMYUUDI-QGZVFWFLSA-N 389.471 1.659 0 50 GDAA C[C@@H](CC(=O)N1CCN(c2nc(O)c3c(ncn3C)n2)CC1)c1ccccc1 1875303138 XOJSGERVTWRBQI-AWEZNQCLSA-N 380.452 1.911 0 50 GDAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1csc(Cl)c1)C2 1875395757 LCXKXOHZYGDGLO-SNVBAGLBSA-N 376.887 1.119 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccc4c(c3)ncn4C)C2)n1 1875396810 CTLCZESHQUPLAG-MRXNPFEDSA-N 393.495 1.708 0 50 GDAA CCO[C@@H]1C[C@H]2CN(c3nc(=N)[nH]c4c3ncn4C)Cc3cccnc3N2C1 2325802694 VFEXFQUZUJTRKP-UONOGXRCSA-N 380.456 1.175 0 50 GDAA Cc1ocnc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819627 LGJOCBAANOQAMS-DOMZBBRYSA-N 391.449 1.539 0 50 GDAA COc1ccc(NC(=O)CCCOCCCN)cc1N1CCC(=O)NC1=O 2325904002 AMJXXXONXIEDGS-UHFFFAOYSA-N 378.429 1.226 0 50 GDAA CCn1nnc(C)c1CN1CC2(C[C@@H](NC(=O)C[C@H]3CCOC3)c3nccn32)C1 2332237984 SSYIKXQABXQDIQ-HZPDHXFCSA-N 399.499 1.002 0 50 GDAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(c3ncnc4sccc34)C[C@@H]2[C@H]1C(=O)NC1CC1 2356153425 GJEMNEWLZWOOSK-AHWPKJFASA-N 388.493 1.010 0 50 GDAA CCCNC(=O)[C@@H]1[C@H]2CN(c3nc4ccccc4s3)C[C@@H]2[C@H](O)[C@@H](O)[C@@H]1C 2356169334 QADQOBIIDCATEA-OQQRLUJQSA-N 389.521 1.863 0 50 GDAA COc1cc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc(OC)c1OC 4511198 XCGMRBSSFXJSDX-IHRRRGAJSA-N 377.441 1.440 0 50 GDAA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 6196249 TUEKCOMPNLKDBR-UHFFFAOYSA-N 391.449 1.822 0 50 GDAA CN1CCCN(c2cnn(CC(=O)Nc3ccc(Cl)nc3)c(=O)c2)CC1 20905872 HJPOOMGUBKJZGG-UHFFFAOYSA-N 376.848 1.072 0 50 GDAA CCNC(=O)N1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1cccc(OC)c1 101489064 HYXVAKFIZAAKMH-IXDOHACOSA-N 388.468 1.865 0 50 GDAA Cn1nccc1NC(=O)Cn1ccc(-c2cc(CN3CCOCC3)cs2)n1 23619901 ATLSDJFVHSZZSV-UHFFFAOYSA-N 386.481 1.816 0 50 GDAA CN(c1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O 65362637 JFJOAVQKGDYCTG-UHFFFAOYSA-N 389.905 1.188 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)C1 326831216 IGAYQPDLRQLWMV-GFCCVEGCSA-N 378.397 1.462 0 50 GDAA C[C@@H]1CCCc2nc(S(=O)(=O)N3CCN(C(=O)c4ccsc4)CC3)cn21 333129043 HQUMFJNJGDVUKJ-CYBMUJFWSA-N 394.522 1.989 0 50 GDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 219783822 DHXJLXHOHRVMCT-DGAVXFQQSA-N 381.372 1.913 0 50 GDAA Cc1nc2n(n1)CCN(C(=O)[C@H]1Cc3ccccc3CN1C(=O)CC(C)C)C2 333493585 VFIWSQOLOAUVFA-GOSISDBHSA-N 381.480 1.928 0 50 GDAA CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3C)CC2)cc1 367488040 DPWUGCGUCSZNLD-KRWDZBQOSA-N 393.509 1.186 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCn4cncc4C2)[C@H]3C1=O 77389044 AXALJCQBMVXJII-OZIGNCPNSA-N 398.507 1.834 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 451556480 MMQUXTIRUVNANZ-MRXNPFEDSA-N 378.425 1.608 0 50 GDAA CCCS(=O)(=O)N1CCOC[C@H]1CC(=O)NCc1nc(CC)cs1 72418059 YWTITURNPLXPHI-CYBMUJFWSA-N 375.516 1.152 0 50 GDAA NCCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71760217 BTUCUONFCRETNP-GOSISDBHSA-N 387.528 1.140 0 50 GDAA CC(C)COc1ccccc1CNC(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1 263050248 QZFDLDZJMWIFFJ-KRWDZBQOSA-N 393.484 1.648 0 50 GDAA O=C(CCc1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 72423226 AOQCHNKILVRUIB-PKOBYXMFSA-N 381.480 1.820 0 50 GDAA Cc1nc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)ccc1C(=O)O 263333165 MRIUZRSWXGNVOS-HFTRVMKXSA-N 379.416 1.975 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)c(Cl)cc1Br 41096120 ZKQPKAYQGFPPQR-UHFFFAOYSA-N 397.722 1.710 0 50 GDAA CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1[C@H]1C(=O)Nc2ccccc21 221530140 PGMVUICBNVHMIX-DZGCQCFKSA-N 381.388 1.629 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1c1cccnc1 95527767 GIVKOUMPHQBKEY-QGZVFWFLSA-N 385.472 1.044 0 50 GDAA O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1Cc1ccccc1 230278313 IPXLKMFBHIKCOU-QYZOEREBSA-N 391.471 1.843 0 50 GDAA biogenic Cc1nc(N2CCCCC2)ncc1C(=O)NCc1nc(-c2cnccn2)n[nH]1 426405147 NFLVDQDMIHMROR-UHFFFAOYSA-N 379.428 1.280 0 50 GDAA O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCSC2)c1 95356132 URANAWGRNMQCEG-HNNXBMFYSA-N 377.491 1.795 0 50 GDAA COc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1C(N)=O 97785259 AMQRWNHTFVPHDL-OAHLLOKOSA-N 376.457 1.513 0 50 GDAA COCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 95531767 ZUUJQWRTIPTGJR-OAQYLSRUSA-N 389.496 1.518 0 50 GDAA NC(=O)CN1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 95527954 HRRYQTLATLVXCY-UHFFFAOYSA-N 381.476 1.988 0 50 GDAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@H]1C(=O)O 268966427 DDDPQMHDNYKKSW-KWQFWETISA-N 376.178 1.668 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccsc2)CN1Cc1nc(CC)no1 96141783 UYHWBTOFVMOJAZ-STQMWFEESA-N 377.470 1.203 0 50 GDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCc3cccnc3)c2)CC1 95531040 HJLHOKNBUDPYJF-UHFFFAOYSA-N 389.477 1.814 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cccn3C3CC3)C[C@H]2CCC(=O)O)CC1 91425261 NVRDFJSPPDDFAW-AEFFLSMTSA-N 388.512 1.766 0 50 GDAA CN1C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@]2(C(=O)O)C1 96153302 PONKGVVOQKRGDU-FZMZJTMJSA-N 378.372 1.342 0 50 GDAA Cn1c(Cn2cncn2)nnc1C1CCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 96159651 NYYZJDRYLXRUCV-UHFFFAOYSA-N 383.504 1.855 0 50 GDAA COc1ccc(CC(=O)N[C@H]2C[C@@H](c3cc(N4CCOCC4)ncn3)C2)cc1 244716202 LKNPNOHRQAVKMK-CALCHBBNSA-N 382.464 1.927 0 50 GDAA CCCc1nnc(NC(=O)CN2CCCN(C(=O)c3ccoc3)CC2)s1 244574737 CQLLVVZATFJOAO-UHFFFAOYSA-N 377.470 1.870 0 50 GDAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 534590231 NCPQIPPXZLFUSK-HNNXBMFYSA-N 376.457 1.616 0 50 GDAA COc1cc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(N(C)C)c2)[nH]c(=N)n1 1940195220 PGXBQKKVKAHLKI-HOTGVXAUSA-N 382.468 1.457 0 50 GDAA COCCn1nc(C)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1940196170 PQPVXAWCSALWJC-SJORKVTESA-N 376.413 1.179 0 50 GDAA CCCN1CCc2c(C(=O)OC)c(OCCc3ccccn3)cc(=O)n2CC1 299755193 DCKPZVHKOSQACE-UHFFFAOYSA-N 385.464 1.920 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1cc(Cc2ccccc2)[nH]n1 1875328118 ZIBAFOGCGQCCOT-UHFFFAOYSA-N 386.433 1.913 0 50 GDAA Cn1cnc2cc(C(=O)N3CCC(CNC(=O)c4ccco4)CC3)ccc2c1=O 952973957 SJEBYUROJWBMPL-UHFFFAOYSA-N 394.431 1.809 0 50 GDAA CCc1noc(CN2CCC[C@@H](CNC(=O)c3ccccc3-n3cncn3)C2)n1 952970844 QLCXFMQCDFDMBK-HNNXBMFYSA-N 395.467 1.855 0 50 GDAA COc1cc(OC)nc(N2CCC(CNC(=O)Cc3csc(C)n3)CC2)n1 952986225 FZHHUKHCRWPJMS-UHFFFAOYSA-N 391.497 1.834 0 50 GDAA Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 888092999 WGNDKXPCXXTBHD-GZMMTYOYSA-N 382.408 1.337 0 50 GDAA CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2ccncc2Cl)CC1 888103527 KYSDCMGHYFCRCK-QZTJIDSGSA-N 391.903 1.714 0 50 GDAA O=C(O)[C@]12CN(Cc3ccc4c(c3)OCCO4)C[C@H]1CN(c1ncccn1)C2 1565515568 XPLHXUGDHCYOMY-YWZLYKJASA-N 382.420 1.271 0 50 GDAA Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)ccc1OC(C)C 275218709 BUMVDPDRQAKJOR-WMZOPIPTSA-N 393.509 1.912 0 50 GDAA COCc1noc([C@@H](C)N2CCC[C@@H](c3[nH]ncc3CN3CCOCC3)C2)n1 275948431 LVGVWGRUSSZIOM-HUUCEWRRSA-N 390.488 1.712 0 50 GDAA CC[C@H](C(=O)O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 191418947 VBLWAGOWYVBYOQ-CQSZACIVSA-N 385.258 1.835 0 50 GDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 1506406487 MQNCMSDEAUWPCO-QGZVFWFLSA-N 376.420 1.852 0 50 GDAA CN(C)Cc1nc(C(=O)N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)cs1 1529173723 PPXYFKDQCYLZRW-FXAWDEMLSA-N 389.521 1.633 0 50 GDAA O[C@@H]1CN(Cc2cccc(OCCN3CCOCC3)c2)C[C@H]1Cc1ccncc1 1529161448 JXMHWICTSVCSHR-FYYLOGMGSA-N 397.519 1.828 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704339257 HCWXXKQBDRUHEN-SJLPKXTDSA-N 383.466 1.638 0 50 GDAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2c(Cl)ccc3ncccc23)C1 1775982264 IVPJFEKHCKBJHQ-LLVKDONJSA-N 383.857 1.278 0 50 GDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1OC 15019165 KCXCHWGEGYBFLH-UHFFFAOYSA-N 391.497 1.870 0 50 GDAA O=C(NCCN1CCCC[C@@H]1CO)c1cn(Cc2ccc(Cl)cc2)nn1 15069066 JEFSRTHNNOPNLA-MRXNPFEDSA-N 377.876 1.556 0 50 GDAA O=C(CCc1ccncc1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857717206 NKXZTVUQZXLSBG-UNMCSNQZSA-N 396.491 1.710 0 50 GDAA O=C(O)C[C@@H]1CN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)C[C@H]1O 1857732443 QSXMRUISEHKMSB-QZTJIDSGSA-N 379.420 1.660 0 50 GDAA O=C(NCCc1cnc[nH]1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857733022 REYITELEPOCVJV-CQSZACIVSA-N 396.476 1.564 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1NC(=O)c1cccnc1 1875243525 KNDCCXMCFDPQOT-NUEKZKHPSA-N 386.456 1.210 0 50 GDAA NC(=O)C1CC(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)C1 913765216 WBIBKJKWDGMTDW-FAFZWHIHSA-N 377.444 1.634 0 50 GDAA Cc1c(-c2cc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)no2)cnn1C 2100540354 ISGKPQUPJOBFMU-OALUTQOASA-N 382.420 1.958 0 50 GDAA CCCc1c(C)nc2nc(=NC(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)[nH]n2c1O 2100545673 ZYXQAJKCQPHQOS-CYBMUJFWSA-N 398.398 1.716 0 50 GDAA O=C(CCCN1CCOCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 2100556249 JWDRKJYYKVVRIQ-WIYYLYMNSA-N 390.480 1.006 0 50 GDAA CN1CC=C(CNC(=O)[C@H](Cc2ccnnc2)NC(=O)OC(C)(C)C)CC1 2325763896 AOJROEIIYXJESC-INIZCTEOSA-N 375.473 1.291 0 50 GDAA Cc1c(C(=O)N[C@H]2CC3(CN(C(=O)C(C)(C)C4CC4)C3)n3ccnc32)nnn1C 2332237820 NEXKHIRHZVERRJ-AWEZNQCLSA-N 397.483 1.169 0 50 GDAA CC(C)c1nc(O)ccc1-c1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2 2356136737 HMQVIPGLJKZGAI-UHFFFAOYSA-N 381.392 1.915 0 50 GDAA Cc1ncn(CCNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)c1C 2356142519 WHFFXMPXELPQLQ-CDMIOBSGSA-N 393.491 1.948 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1 2878140 BLQDXEGCVGFNBO-UHFFFAOYSA-N 376.434 1.725 0 50 GDAA CCN1C[C@H](C(=O)N=c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH][nH]2)CC1=O 2356164554 XNWCSFGPDGEWJH-GFCCVEGCSA-N 388.424 1.331 0 50 GDAA O=C1C[C@@H](C(=O)N=c2nc3nccc(-c4ccccn4)n3[nH]2)C2(CCCC2)O1 2356167787 BSQPNRLCQLWAHF-LBPRGKRZSA-N 378.392 1.423 0 50 GDAA COC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@H]1c1cc(C)ccc1C 4195553 DQVHYFCEWMTATE-AWEZNQCLSA-N 388.453 1.400 0 50 GDAA COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1cccs1 4867138 BWTNSSGITQEKDH-APPZFPTMSA-N 380.447 1.537 0 50 GDAA CCc1ccccc1-n1c(C)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 8654110 UTMWGOCFYASNLN-UHFFFAOYSA-N 381.436 1.656 0 50 GDAA CCN1CCN(Cc2cnc(S(=O)(=O)C[C@@H]3CCCO3)n2CC(C)C)CC1 23374112 LYMGTOHHFGUKNV-SFHVURJKSA-N 398.573 1.629 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCn3cccc3)C2=O)c1 67820172 WYJDYSOHARMWAV-FQEVSTJZSA-N 375.444 1.779 0 50 GDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCN(C)C3)c2)CC1 215017069 RURMCIHOCQBNIO-INIZCTEOSA-N 377.510 1.709 0 50 GDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 328644578 RWFYRFYRXNUBAH-OAHLLOKOSA-N 376.409 1.386 0 50 GDAA O=S1(=O)CCC(CS(=O)(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)CC1 367818533 PLIZJEGZQXBIFS-MRXNPFEDSA-N 397.522 1.438 0 50 GDAA Cc1nc2sccn2c1CN1CCN(C2CCN(C)CC2)[C@H](CCO)C1 39358372 UXTOHRNQRLVJRM-QGZVFWFLSA-N 377.558 1.667 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 176450538 KOPACWKZLGAGND-QGZVFWFLSA-N 392.467 1.886 0 50 GDAA CCn1ncnc1[C@@H](NC(=O)Cn1c(C)nn(-c2ccccc2)c1=O)C1CC1 77341608 HKGBGWCXCAJHKD-KRWDZBQOSA-N 381.440 1.221 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCC3(CC2)CNC(=O)C3)n1 77407879 BTHXMTAOKPTGIK-UHFFFAOYSA-N 384.436 1.807 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CCOc3ccccc3C1)C2 426563025 FALMFHFPZLNLFZ-MRXNPFEDSA-N 382.464 1.893 0 50 GDAA O=C(O)Cn1nccc1[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 426551022 DTFCBQWMIPFBQY-HNNXBMFYSA-N 377.466 1.621 0 50 GDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 225784578 YUDXADLVTPJLBW-WCXIOVBPSA-N 376.840 1.638 0 50 GDAA COCCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1scc2c1OCCO2 82087476 UXKCSFFOCPKZTM-QWRGUYRKSA-N 388.417 1.445 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2nonc2c1 426395090 AJPHWYKLWBMKQG-IBGZPJMESA-N 393.447 1.538 0 50 GDAA CN1CCN(Cc2ccccc2OC[C@H](O)CN(C)C2CCCCC2)CC1=O 95517472 LFOVVUGGEIWBIH-HXUWFJFHSA-N 389.540 1.965 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95385096 CTQBPZINDWZRJZ-VLCRHTCISA-N 383.492 1.706 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)CN4CCCC4)C3)CCC2=O)cn1 91425940 KUWPDNXFDUOXHC-NRFANRHFSA-N 385.512 1.612 0 50 GDAA Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N3CC[C@H](N)C3)c2)cs1 97578597 BFYUKOBSTKQMIC-ZDUSSCGKSA-N 380.495 1.103 0 50 GDAA CN(C)c1nccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95527040 MXHHNAUEPOMYQR-UHFFFAOYSA-N 381.484 1.556 0 50 GDAA COc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c(OC)c1 91625573 MEOOAFDYKPPIMY-QZTJIDSGSA-N 376.497 1.799 0 50 GDAA CCn1ncnc1CN1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 96135991 XEJHKNPXBLOAFS-UHFFFAOYSA-N 382.476 1.244 0 50 GDAA COc1ccc(N2C(=O)N[C@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 248139478 PCMFYQAQHPWFOO-MRXNPFEDSA-N 393.403 1.703 0 50 GDAA COCCN1CCN(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)CC1 584884262 AUQRUVLBVSOYQN-AWEZNQCLSA-N 376.486 1.183 0 50 GDAA CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)N1CCCc2cc(Cl)cnc21 1875316852 JGTFXCFWBYYRIL-KKUMJFAQSA-N 378.860 1.928 0 50 GDAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 1875396242 ZSUFKQKJFBTQLD-GKVSMKOHSA-N 399.538 1.509 0 50 GDAA O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402538 IVTAFQKGXVWTEY-CEWLAPEOSA-N 397.523 1.351 0 50 GDAA COCCn1nnc2c1C[C@@H](c1nc(-c3nnc(SC)s3)no1)CC2 952893744 JUFGKDFUPXBRAS-QMMMGPOBSA-N 379.471 1.820 0 50 GDAA CN(CC1CC1)C(=O)C1CC2(C1)C[C@H](NC(=O)C=C1CCC1)CCS2(=O)=O 952883699 YVDKJLCNDHZCBT-OHTSDLOESA-N 394.537 1.807 0 50 GDAA Cc1cc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)ccc1Cl 952991489 YEIHDTIJRXVKRE-ZDUSSCGKSA-N 387.823 1.826 0 50 GDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 271312685 ZHSDYRRNFUCBBL-ZDUSSCGKSA-N 395.403 1.808 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1 1565527977 WTLOBNRRSGJFPY-MSOLQXFVSA-N 388.493 1.468 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1=O 275365970 WJWRVYSCIVOITO-AWEZNQCLSA-N 380.474 1.154 0 50 GDAA Cn1ccnc(N2CCC[C@H](NCc3cnn(Cc4ccccc4)c3)C2)c1=O 275598069 QGBSEHHUZOJJOY-IBGZPJMESA-N 378.480 1.784 0 50 GDAA Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCO[C@@H]3c3nccn3C)C2)n(C)n1 278386811 MIVUJGFLAABBFW-VYDXJSESSA-N 387.488 1.260 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C)[C@@H](CCO)C1 1506420342 DFDBEESDNWBRGI-ZDUSSCGKSA-N 376.906 1.734 0 50 GDAA COc1cccc(N2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2=O)c1 1704340800 MMKGJIUNHMIPPY-UHFFFAOYSA-N 381.436 1.574 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCN2CCOCC2)ccc1F 1704313543 QNNWOZPMXDJDAJ-UHFFFAOYSA-N 392.431 1.617 0 50 GDAA CCC(=O)N[C@]1(C)CCOC2(CCN(c3ncc(F)c(OC)n3)CC2)[C@H]1O 1772711208 YBULFWCLUVWJIH-DOTOQJQBSA-N 382.436 1.029 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(-c2ccccc2)no1 11843039 VDYJIUHOBNNWNC-INIZCTEOSA-N 399.495 1.632 0 50 GDAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)s1 12441008 NHXAMGKAPMGWPG-HNNXBMFYSA-N 377.510 1.924 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3cccc(Cl)c3)C[C@H]12 14537314 FIFDAYHCLIZULS-RBUKOAKNSA-N 399.878 1.800 0 50 GDAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14746992 JRKNIYSASWHEMY-MSOLQXFVSA-N 387.480 1.177 0 50 GDAA COc1ccc(CNC2CCCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 19745107 QWNPSKGUWQBZPY-LJQANCHMSA-N 377.529 1.715 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc(OC)nc3)C2=O)cc1 206236704 QFXGFPRRZZHTBD-MRXNPFEDSA-N 398.419 1.938 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1 206247236 AITUFFJMFOHXPM-CQSZACIVSA-N 388.449 1.952 0 50 GDAA COc1cnc(C)cc1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 1857666778 GZAVQJHSZRKDPY-UHFFFAOYSA-N 383.857 1.760 0 50 GDAA Cc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c2ncccc2c1 1857669231 KCYFYAPORQKFEW-KBXCAEBGSA-N 376.434 1.655 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857702039 XJNMUGPFQZXUMM-ZDUSSCGKSA-N 397.458 1.945 0 50 GDAA Cn1cc(C(=O)N2CCO[C@@]3(CCN(Cc4cc(C5CC5)on4)C3)C2)ccc1=O 1857704583 YIOKPQKKRRDPDS-OAQYLSRUSA-N 398.463 1.368 0 50 GDAA CCn1nc(CC(N)=O)nc1C[C@@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857715915 NXSIGEMKNKXYJE-ZDUSSCGKSA-N 398.467 1.935 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857716765 SCMVJQSNYKBEAW-YQQAZPJKSA-N 390.871 1.950 0 50 GDAA Cc1nsnc1C(=O)N[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[C@@H]1O 1857733314 DVJPIYZBBVFPMX-OLZOCXBDSA-N 386.437 1.266 0 50 GDAA COc1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCc3csc(C)n3)C[C@H]2O)ccn1 1875246505 PYGCUJLQSLIKAJ-NWANDNLSSA-N 390.465 1.041 0 50 GDAA CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(OC(F)F)cc3)C2=O)CC1 4484367 FRUASCPDYLDAHI-AWEZNQCLSA-N 397.378 1.694 0 50 GDAA O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCSc2ccccc21 332855643 NGKFTCHGCJEPJH-NVXWUHKLSA-N 389.521 1.315 0 50 GDAA CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 242498631 HKQZUYOVMYOFIT-CPRZRSQCSA-N 377.525 1.251 0 50 GDAA biogenic CN(c1ncnc2c1ncn2C1CC(CO)(CO)C1)C1CCC(CO)CC1 1875269296 UITXNLXRJXFFRK-UHFFFAOYSA-N 375.473 1.120 0 50 GDAA COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC2(CCC2)[C@@H]1C1CC1 366351989 CHQZIKDATHACHL-INIZCTEOSA-N 380.466 1.756 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CC[C@]4(CNC(=O)CO4)C3)ncnc21 2100482851 CUBVDRNILWDUDU-FQEVSTJZSA-N 386.500 1.920 0 50 GDAA COc1ccc(Cn2nc(-c3c[nH]nc3C)nc2C[C@H]2CCC(=O)N2)cc1OC 2100483662 HPOFDRNJMRCVMN-CQSZACIVSA-N 396.451 1.863 0 50 GDAA COc1ncccc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 2100483952 UJGGMGPOPQNXKZ-SJORKVTESA-N 389.839 1.659 0 50 GDAA CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccc(O)cc1 19857681 PYVJLVONTYARPK-QGZVFWFLSA-N 375.425 1.238 0 50 GDAA Cn1cncc1S(=O)(=O)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 2325773703 UJOCJJUPGYCFOU-UHFFFAOYSA-N 383.861 1.190 0 50 GDAA COc1cccc2c1CN(C(=O)C[C@@H]1CN(Cc3cnn[nH]3)C3(CCC3)CO1)C2 2325785343 QQLSPVBJZBFBEY-QGZVFWFLSA-N 397.479 1.869 0 50 GDAA O=S(=O)(c1ncccc1C(F)(F)F)N1CC(O)(c2cccnc2F)C1 2325789135 UWZBDBYSSIZTLV-UHFFFAOYSA-N 377.319 1.527 0 50 GDAA COc1ccccc1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 872524 LIMARIOHMGFGAP-UHFFFAOYSA-N 385.445 1.602 0 50 GDAA CN(CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)C(N)=O 2356147097 HRPMWQDDYYUQLL-OAQYLSRUSA-N 379.464 1.961 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(-c2cscn2)cc1 2356161592 BBLAWBJAGLKWBS-UHFFFAOYSA-N 381.479 1.435 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)o1 2356166468 YURIIVDVVSWXOT-WHSLLNHNSA-N 388.464 1.849 0 50 GDAA O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 6317180 QQUWUYOUKZBGEB-UHFFFAOYSA-N 388.492 1.570 0 50 GDAA O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NCc2ccco2)cc1 6938978 ZRCULAADVPEVDO-UHFFFAOYSA-N 397.412 1.949 0 50 GDAA Cc1nn(CC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(=O)c2ccccc12 227797220 OOERIDBAEWRZPZ-XYJFISCASA-N 398.507 1.805 0 50 GDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)C2 102606591 QJAKKKXFDAVICW-VIKVFOODSA-N 382.486 1.794 0 50 GDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NC(=O)NCc1cccs1 252452532 NKMCCWVJNUDLGF-CFVMTHIKSA-N 379.482 1.880 0 50 GDAA C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 409413654 PSJSBONKGSHWJN-RKDXNWHRSA-N 381.230 1.175 0 50 GDAA O=C(c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1C[C@H]1CCOC1)N1CCCC1 328779848 MIEOZQXXTWTFPV-IXDOHACOSA-N 389.500 1.413 0 50 GDAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(C(C)(C)C)n[nH]3)cn2)C[C@@H](C)O1 151824083 KCSTZEUEBGGGLE-BETUJISGSA-N 388.472 1.792 0 50 GDAA COC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)C1 215152926 YDBGLUXOYHLYQD-ZDUSSCGKSA-N 379.438 1.262 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 72422231 MWXYERJQSWRKOY-GFCCVEGCSA-N 375.395 1.306 0 50 GDAA Cc1cc(CNC(=O)c2cccc3c2CN(CCc2cn(C)cn2)C3=O)n[nH]1 72420387 UEFPVFQGMOXXIU-UHFFFAOYSA-N 378.436 1.580 0 50 GDAA CC(C)N1CCC(NC(=O)CN2CCC(CN3CCCCC3=O)CC2)CC1 173438334 CCZRIUCKWSVCEW-UHFFFAOYSA-N 378.561 1.700 0 50 GDAA Cc1ccccc1N1CCN([C@@H]2CCCN(CCCn3nnnc3C)C2)CC1 72167551 YMOQIVWORUWJKB-HXUWFJFHSA-N 383.544 1.967 0 50 GDAA NC(=O)c1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 71707948 UQHPSBKIGCONQO-SFHVURJKSA-N 384.524 1.741 0 50 GDAA CCc1cc(N2CCOC[C@@](O)(CN3CCCC3)C2)nc(N2CCCC2)n1 77535771 RWVZWAGRQQPCCS-HXUWFJFHSA-N 375.517 1.303 0 50 GDAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CC[C@H](O)CC3)n(C)c2)C1 245509468 KHMKVBGKHDGVPB-RBSFLKMASA-N 383.514 1.479 0 50 GDAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(-c3ccn[nH]3)o1)C2 221258035 ABHQOHGZGAQEBU-SFHVURJKSA-N 379.424 1.697 0 50 GDAA Cc1cc2c(=O)[nH]c(CSCC(=O)N3CCC(C(N)=O)CC3)nc2s1 44890658 UEZXZYWXIGPLHD-UHFFFAOYSA-N 380.495 1.250 0 50 GDAA CN(C)c1nc(N)nc(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)n1 426388179 QAPISPSXSICDDI-UHFFFAOYSA-N 380.412 1.377 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)NCCCN2CCOCC2)n1 426580927 FVZVNKZMENJARX-OAHLLOKOSA-N 381.477 1.217 0 50 GDAA O=C(CCCc1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 82230578 YUODVUDSQQGZJS-UHFFFAOYSA-N 395.507 1.985 0 50 GDAA Cc1cncnc1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 426496966 RDAKZXLSNMCWHB-UHFFFAOYSA-N 378.429 1.591 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)CCc3ccccc3)cc2C1 82147637 BWDOHESONFSGNG-UHFFFAOYSA-N 376.482 1.297 0 50 GDAA COCCn1nnnc1[C@@H]1CN(C(=O)Nc2cccc3cc(C)oc23)CCO1 96180653 YWYMKKYFZDZSBN-HNNXBMFYSA-N 386.412 1.980 0 50 GDAA C[C@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)n1ccnc1 95505910 HSVSQUCSZAIGJG-CQSZACIVSA-N 382.468 1.480 0 50 GDAA CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2CCCCC2)CC1 95510008 VEFRWHSIILMTAY-UHFFFAOYSA-N 380.514 1.782 0 50 GDAA O=C(CCC1CCN(C(=O)c2ncn[nH]2)CC1)Nc1ccc2c(c1)OCCO2 95527300 WYXFXCHOXRNYDP-UHFFFAOYSA-N 385.424 1.847 0 50 GDAA CCN(C(=O)CCCc1nc(-c2ccncc2)no1)[C@@H]1CCS(=O)(=O)C1 91665791 DCZHRZYOTPFQQJ-CQSZACIVSA-N 378.454 1.490 0 50 GDAA COc1cccc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)c1OC 257371916 KYPWRNMKIQJUJB-LJQANCHMSA-N 377.529 1.667 0 50 GDAA O=C(O)CN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CCOCC1 299747638 DNCYEYFKVWFFGO-LLVKDONJSA-N 382.363 1.410 0 50 GDAA O=C(O)CN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 299747958 FOJYSOWAQAXSQA-KRWDZBQOSA-N 381.432 1.586 0 50 GDAA CON1CCC(CC(=O)NS(=O)(=O)CCc2ccc(Cl)nc2)CC1 1875312636 HNQMLMYZEHJKML-UHFFFAOYSA-N 375.878 1.387 0 50 GDAA O=C(N[C@@H]1CNC[C@@H]1n1cccn1)[C@H]1COc2c(Br)cccc2C1 1875392452 CMUFEVXCZWNRLF-YUELXQCFSA-N 391.269 1.526 0 50 GDAA CCc1ncc(S(=O)(=O)N2CCC(CNC(=O)c3cncc(F)c3)CC2)[nH]1 952962228 COMBPEVZMZNDOK-UHFFFAOYSA-N 395.460 1.337 0 50 GDAA CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)n1 278397931 NRYVQVWTSARRME-KGLIPLIRSA-N 391.476 1.629 0 50 GDAA CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 225430898 JZXACBXATPZMOG-QAPCUYQASA-N 393.509 1.458 0 50 GDAA CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](C(C)C)C(=O)N3C2)c1 14741143 DBHLTRDLZPZQAT-AEGPPILISA-N 376.482 1.654 0 50 GDAA CC(=O)NCCNC(=O)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1 14744322 XGCGYFPRAYADPP-UONOGXRCSA-N 387.402 1.562 0 50 GDAA c1ccc(CO[C@@H]2CCCN(c3nc4nonc4nc3N3CCOCC3)C2)nc1 15066494 KSFATVKFWWLUEZ-OAHLLOKOSA-N 397.439 1.430 0 50 GDAA COc1ncc(Br)cc1CN[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857531226 RJIBAARBKCEKPA-UGFHNGPFSA-N 381.274 1.979 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@]23OCCN13 1857706414 QICVVDAHDBVVHS-OCCSQVGLSA-N 392.355 1.307 0 50 GDAA Cc1ncccc1C(=O)NC[C@H]1[C@H]2CN(c3nccc(=N)[nH]3)C[C@]23CC[C@H]1O3 1857738912 DLKKMBWWEJJIJV-QCBUCWTNSA-N 380.452 1.006 0 50 GDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857741046 ZVTGSCIWSBUIRI-AWEZNQCLSA-N 388.493 1.622 0 50 GDAA O=C(O)[C@@H]1CCCN1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 262667900 QETSAJCSNQBMFG-ZDUSSCGKSA-N 387.267 1.586 0 50 GDAA NC(=O)COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1 266358764 PFCUYDHBMKNJKA-INIZCTEOSA-N 385.420 1.455 0 50 GDAA O=C(CCCn1c(O)nnc1O)N1CCc2ccc(Br)cc2C1 908071462 JXAWJFFPJCGZDJ-UHFFFAOYSA-N 381.230 1.817 0 50 GDAA O=C(C[C@H]1CN(Cc2csnn2)C2(CCC2)CO1)N1C[C@H](O)CC2(CC2)C1 2325785118 DCUKDEZVENIMOW-CVEARBPZSA-N 392.525 1.425 0 50 GDAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccnc(Cn2cnnc2)c1 2325792736 JGYUNYZPMYRRHP-UHFFFAOYSA-N 379.346 1.746 0 50 GDAA COC(=O)[C@]1(NC(=O)c2ccc3c(c2)CC[C@H](N)C3)COc2ccccc2C1 2325808620 KLZCHMSYLFBWLM-PGRDOPGGSA-N 380.444 1.779 0 50 GDAA CN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 1015662 OYAICQQNBRWEQF-UHFFFAOYSA-N 381.841 1.698 0 50 GDAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 1127057 KTWBNQWHIGEPHF-UHFFFAOYSA-N 378.406 1.998 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)[nH]c(=N)n2)C1=O 2356140566 MKNXHILAKDFXHS-LJQANCHMSA-N 375.473 1.256 0 50 GDAA Cc1cc(C(=O)N2CCc3nc(C4CC4)nn3CC2)cc(S(N)(=O)=O)c1C 2356144692 JBTFEJYGWHEYMO-UHFFFAOYSA-N 389.481 1.118 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CCn4ncnc4C3)CC1)OCC2 2356167481 QCHIDHXXCNJFGD-INIZCTEOSA-N 382.464 1.940 0 50 GDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCSCC1 55073459 PHIJTHRRZDWPOJ-YXMMZVCTSA-N 389.521 1.474 0 50 GDAA Cc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(-n2ccnc2)n1 65363828 LSDFAIZNIKBYDB-UHFFFAOYSA-N 398.492 1.623 0 50 GDAA CC1(C)CN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CCO1 67871538 YIYCNVCCZWSCCO-UHFFFAOYSA-N 388.512 1.634 0 50 GDAA CCn1c([C@@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)nn(C)c1=O 67867623 AZXSQPQIXROOIU-OAHLLOKOSA-N 377.489 1.100 0 50 GDAA O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(CN2C(=O)CNC2=O)c1 363540654 ZNCBCKXQIICWEQ-UHFFFAOYSA-N 376.376 1.776 0 50 GDAA CN(CCc1ccccn1)[C@@H]1CCN(c2nnnn2-c2ccccc2)C[C@H]1O 71745286 JSXUTUUWMONUHR-RTBURBONSA-N 379.468 1.171 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(CCCc1ccccc1)CCN2Cc1ccncc1 72433015 UPXSGRYDUFAHDJ-LEWJYISDSA-N 385.533 1.998 0 50 GDAA CN1N=C(C(=O)NCc2cccnc2N(C)CCc2ccccn2)CCC1=O 39394543 DRYDSUXRSIXSLU-UHFFFAOYSA-N 380.452 1.380 0 50 GDAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCN(c2nccs2)CC1 77406019 JJDWWCUSLZZJJX-AWEZNQCLSA-N 375.502 1.229 0 50 GDAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 131912223 QOVUWDIRKASZDR-AWEZNQCLSA-N 399.499 1.105 0 50 GDAA NC(=O)CNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71779819 BURSLPDLNUSGOE-AWEZNQCLSA-N 385.468 1.110 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1 451491455 FDKFQLDYDSYLDV-VCBZYWHSSA-N 396.509 1.534 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C)cc2C)CC1 41091699 AGIDCGZVGKPFIC-UHFFFAOYSA-N 375.288 1.919 0 50 GDAA Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)n1 296956597 WEQCQDQBVGTRLM-HUUCEWRRSA-N 377.470 1.959 0 50 GDAA Cc1cccc(CN2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)n1 91665376 JPEVDDCXMPIQLA-UHFFFAOYSA-N 375.498 1.422 0 50 GDAA COCCNc1nc2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)ccc2n1C 95369670 ASITWGWKDILJHE-LSDHHAIUSA-N 385.468 1.324 0 50 GDAA CN1CCC(Cc2nc(-c3ccccn3)n(-c3ccc4nncn4n3)n2)CC1 91724935 YKEDZBAXXCHWOT-UHFFFAOYSA-N 375.440 1.651 0 50 GDAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 299751911 SGVYVQRACIJFSO-CQSZACIVSA-N 389.452 1.947 0 50 GDAA O=C(O)c1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 299752595 URLUHPVDTWJOTM-MRVPVSSYSA-N 381.360 1.789 0 50 GDAA O=C1NCCN(Cc2ccccn2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 55165927 NKKSBMILUAVPFH-FQEVSTJZSA-N 393.491 1.121 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CCO1 269040373 QMMLHKGYYXYSIQ-OAHLLOKOSA-N 376.409 1.432 0 50 GDAA Cc1nc2ncc(C(=O)NCCc3ccccc3Br)c(=O)n2[nH]1 1875339171 BYBMOYLODVCEBE-UHFFFAOYSA-N 376.214 1.461 0 50 GDAA CON1CCC(CC(=O)NS(=O)(=O)c2cnn(-c3cccc(C)c3)c2)CC1 1875313671 WNGWNVUALHDYFB-UHFFFAOYSA-N 392.481 1.649 0 50 GDAA O=C1CC[C@@](C(=O)N2CC3(C2)C(=O)Nc2ccccc23)(c2ccccc2)CN1 1875321155 WMCFHRGKEBQIQB-NRFANRHFSA-N 375.428 1.567 0 50 GDAA COc1ccccc1CCN(C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N)C2)n1 1875401823 SXTJOFPBJHDRQW-QGZVFWFLSA-N 383.496 1.954 0 50 GDAA CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)o1 1775957227 JNVZNHIXLHTRNE-GVDBMIGSSA-N 398.463 1.358 0 50 GDAA Cc1ccccc1N1CCC(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NS(C)(=O)=O)CC1 1565529814 XHJLKJQEALCTQA-NQYYFHDYSA-N 379.526 1.259 0 50 GDAA CC[C@@H](C(=O)N1CCCN(C(=O)CCc2ccc(O)nn2)CC1)n1cccn1 1704298405 FHHLGWNGCUCYKR-INIZCTEOSA-N 386.456 1.024 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)CC(C)(C)O)OCC(=O)N2C2CC2)cc1 1704339406 FCOQIDIQMARSCO-MSOLQXFVSA-N 376.453 1.355 0 50 GDAA Cc1cccc(NC(=O)CC(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)c1C 1704338882 JBAPOBBORFQADA-VQTJNVASSA-N 389.496 1.410 0 50 GDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC[C@@]4(CCc5cnc(N)nc54)C3)c12 1704335494 ANOWJMUZFMAOSE-HXUWFJFHSA-N 393.451 1.832 0 50 GDAA Cc1nc[nH]c1C(=O)N1CCC2(CC1)CN(Cc1cscn1)C(=O)CCO2 1704311277 CFKVCRHQNXHHIW-UHFFFAOYSA-N 389.481 1.599 0 50 GDAA O=C(NCc1nnc2ccccn12)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772806937 HTINPWVLPXRBBS-CYBMUJFWSA-N 398.492 1.444 0 50 GDAA Cc1nnc(CCNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)s1 1772817491 ROJQMSGSJJQDBJ-GFCCVEGCSA-N 393.538 1.603 0 50 GDAA Cc1cc(C)cc(C(=O)NCCn2cc(C(=O)NCc3ccccn3)nn2)c1 11912791 BYRGHEIZEFADKX-UHFFFAOYSA-N 378.436 1.650 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)NCCCn2ccc3ccccc32)nn1 11938628 AGMVUIHHXCGVSH-UHFFFAOYSA-N 382.468 1.921 0 50 GDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 12002314 UGDDYAWWZGGFLG-UHFFFAOYSA-N 395.481 1.666 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1 12317692 DJJRGEIZWXWGDQ-GOSISDBHSA-N 381.480 1.034 0 50 GDAA COc1ccc(CN2CCSCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 19761972 NZIRCKLSTBIXKV-GOSISDBHSA-N 395.569 1.231 0 50 GDAA CCOc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 19831185 AYXAGKMMZDXTEQ-MRXNPFEDSA-N 375.469 1.277 0 50 GDAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cc(-n4cnnn4)n[nH]3)c2)n1 1857666338 SHKKSMFSECCZRW-UHFFFAOYSA-N 377.412 1.460 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCC3(COC)CCCC3)CC2=O)s1 1857712017 DFNPTSLGHOODTP-GFCCVEGCSA-N 382.486 1.360 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(Cl)ccc4ncccc34)C[C@@H]12 1857726241 YPYUNCAIICWLOH-MAZHCROVSA-N 393.896 1.687 0 50 GDAA COCCn1nnc([C@@H]2CN(Cc3cc(-c4ccc(C)cc4)no3)CCO2)n1 1857735082 GZGHELQIQYPLHW-SFHVURJKSA-N 384.440 1.856 0 50 GDAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 328634280 TYIAFRQKTQWZQB-OAHLLOKOSA-N 388.493 1.893 0 50 GDAA O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCN(Cc2cnc3ccccn23)C1 328605421 NLORGZMLPRZFLS-LPHOPBHVSA-N 394.479 1.299 0 50 GDAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3ccc4nsnc4c3)C[C@H]2C1 247813833 FGPXKTVBJUYIDO-KSSFIOAISA-N 376.482 1.123 0 50 GDAA Cc1nc(CC(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)cs1 247971228 SOEKUZMXOMWNOC-UGSOOPFHSA-N 379.482 1.018 0 50 GDAA CC(=O)N1CCN(C(=O)CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)CC1 363355960 MQYCEYYDBTXJIZ-QHCPKHFHSA-N 398.551 1.665 0 50 GDAA C[C@H]1CC(=O)Nc2ccc(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)cc2N1 913792592 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Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCO3)cc1 67920587 NJKLQABTXFGBBM-UHFFFAOYSA-N 393.399 1.779 0 50 GDAA CCn1cc(NC(=O)c2cccc(CN3CCC4(CC3)CNC(=O)O4)c2)nn1 67854872 DGZAUNUPYQNFKY-UHFFFAOYSA-N 384.440 1.625 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@H](O)CN2CCOCC2)ncn1 328626893 FOYKMPXCOQNADT-FCEWJHQRSA-N 379.505 1.197 0 50 GDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 328635441 UTFMWSGUFXBYBM-SWLSCSKDSA-N 392.437 1.413 0 50 GDAA C[C@@H](Cc1cccs1)C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 328640212 PWLBTLJLYLMDPZ-JSGCOSHPSA-N 375.498 1.737 0 50 GDAA Cc1nc(S(=O)(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cn1C 283030545 FXIRKBZGWZYQJN-CQSZACIVSA-N 395.554 1.860 0 50 GDAA Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC23CCOCC3)cn1 333110536 SAQGYHHJJRDCRN-WBVHZDCISA-N 388.512 1.790 0 50 GDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cnn(C)c1)CC2 14748327 PBYZFLGDXNUKHB-UHFFFAOYSA-N 388.516 1.597 0 50 GDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCSCC2)[C@H]3C1=O 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426571844 VVNFVZMNSMFLTO-UHFFFAOYSA-N 384.480 1.613 0 50 GDAA CC(C)CCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(C)C[C@H]32)C1=O 229906474 LLLWVNPDJDXZOW-AVRDEDQJSA-N 398.507 1.864 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)COc3ccc(F)cc3)C[C@H]2CCCO)CC1 91616403 HCTHZWPIMVYJTP-XLIONFOSSA-N 393.503 1.442 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 95511831 MWESXYMPUORJTP-INIZCTEOSA-N 379.468 1.960 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3cc(Cl)cn3C)C[C@H]2CCCO)CC1 95385194 DQNOGLUVSKMPNH-WBVHZDCISA-N 382.936 1.529 0 50 GDAA Cn1nc(C(N)=O)c2c1CCN(C(=O)NCCCn1ncc3ccccc31)C2 426746108 NSUZPMVUQUGFOB-UHFFFAOYSA-N 381.440 1.027 0 50 GDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccc(-n2cnnn2)cc1 96139646 VGXPOFJMDXSRGP-AWEZNQCLSA-N 383.456 1.917 0 50 GDAA CN(CC(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1)C(N)=O 91932428 YJDBWHOLHNIHIG-UHFFFAOYSA-N 386.496 1.471 0 50 GDAA CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CCCC)C(=O)[C@H]21 239287359 CQTGTFWTWVGWGS-BRWNEANESA-N 384.476 1.851 0 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LUZURUMQWAPZFH-CYBMUJFWSA-N 376.438 1.755 0 50 GDAA CCS(=O)(=O)NCCn1cc([C@@H](O)c2cccc(C(F)(F)F)c2)nn1 881287837 XLWKGGWSSCLBSM-ZDUSSCGKSA-N 378.376 1.318 0 50 GDAA Cc1cc(F)cc(CN2CCN(C(=O)CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1565515802 IUKPBPLIBBDTLU-MSOLQXFVSA-N 382.501 1.990 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 276385736 JKXFTGKWJVFUPY-MRXNPFEDSA-N 395.442 1.730 0 50 GDAA O=C(O)[C@H](Cc1ccc2c(c1)OCCCO2)NS(=O)(=O)C[C@H]1CCCCO1 277227308 IRNUCSRUPJGLBT-CABCVRRESA-N 399.465 1.332 0 50 GDAA CCn1c(O)nc2cc(C(=O)N3CC(C)(C)O[C@@]4(CCOC4)C3)ccc2c1=O 280543790 NFEGBCBZIPSMEP-FQEVSTJZSA-N 387.436 1.532 0 50 GDAA O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3cccnn3)CC2)C1 195052329 TUEBHCPTTODUJG-LJQANCHMSA-N 393.491 1.607 0 50 GDAA CN1CCc2[nH]nc(C(=O)N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)c2C1 1704337956 IECRSMDMYYEJNW-FOIQADDNSA-N 391.475 1.933 0 50 GDAA COc1cccc([C@H]2CN(C(=O)CSc3nncn3C)C[C@@H]2C(=O)O)c1 220251690 DIKMWQZBVIABCW-KGLIPLIRSA-N 376.438 1.243 0 50 GDAA 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389.481 1.563 0 50 GDAA O=C(CNC(=O)N1CCc2ccccc2C1)N1CCCN(C(=O)C2CC2)CC1 158281090 XWAGGQXXGIXVPP-UHFFFAOYSA-N 384.480 1.225 0 50 GDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(c3ccncc3Cl)CC2)c1 161308418 KBBCNNUYZBQLBC-UHFFFAOYSA-N 394.884 1.653 0 50 GDAA Cn1nc2c(cc1=O)CN(Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 172798730 IGCQUCIHQDONOR-UHFFFAOYSA-N 395.488 1.976 0 50 GDAA CCCN(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[C@@H]1CCNC1 178920146 LXMRKQJKFZRVLJ-GOSISDBHSA-N 379.526 1.131 0 50 GDAA COc1cccc2ccn(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c12 206415386 NHUCBOCNPNNQCH-ZDUSSCGKSA-N 376.413 1.058 0 50 GDAA Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1 220565248 SIOSHFGLWNSVME-MSOLQXFVSA-N 381.494 1.859 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CN)cc1OC 237198754 CQLUQRUNALBZTN-SNVBAGLBSA-N 393.303 1.968 0 50 GDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1 245296707 OVGMYDZPIPGWKX-MHORFTMASA-N 396.399 1.607 0 50 GDAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)CCCN3CCCCC3=O)C2)n1C 252552078 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382.424 1.016 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCC2)c(C2CC2)n1 1875392939 AHHLJUUFHBZTBK-OAHLLOKOSA-N 392.525 1.711 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](N[C@H](C)c3ccccc3-n3ccnn3)C2)cc[nH]1 1875399984 ODPYNCHWEDCUTF-KYJSFNMBSA-N 394.483 1.075 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2ccc(Cl)nc2)C1 2325803187 WKAJEOSRQNDIKK-WBMJQRKESA-N 392.868 1.781 0 50 GDAA Oc1cc([C@@H]2CCN(c3nc(O)c4cnn(-c5ccccc5)c4n3)C2)nc(O)n1 2325825935 INYCGZONKLIALC-LLVKDONJSA-N 391.391 1.716 0 50 GDAA O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)Nc1cnn(-c2ccncc2)c1 2325856584 VZYYRGOZOWRCJH-MRXNPFEDSA-N 376.420 1.037 0 50 GDAA Cc1noc2ncnc(NC[C@@H]3C[C@H](C(=O)N4CCC[C@H](N(C)C)C4)CO3)c12 2332237675 HLEPNJQOSMPBAE-KKUMJFAQSA-N 388.472 1.296 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCCc2cnn(C)c2)C[C@H]1NC(=O)NCC 2356148126 IRWOGVICVYTNEU-RCCFBDPRSA-N 393.532 1.752 0 50 GDAA O=C(c1cccc2ncnn12)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 2356162330 HTCGGRCNNBBACI-GXTWGEPZSA-N 382.449 1.449 0 50 GDAA Cc1csc2c(N3CCC[C@H](n4cc(C(=O)NCCO)nn4)C3)ncnc12 67515026 LESOAYSVGKGRNT-LBPRGKRZSA-N 387.469 1.155 0 50 GDAA Cc1noc(-c2ccc(S(=O)(=O)N[C@H]3COC4(CCNCC4)C3)o2)c1C 1506404701 FHIYQYIYZZVEBD-CYBMUJFWSA-N 381.454 1.741 0 50 GDAA Cc1cccn2c(CNCCc3cscn3)c(C(=O)N3CCOCC3)nc12 20327544 VAUQPUBJYQSRJE-UHFFFAOYSA-N 385.493 1.904 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2ccc3ncsc3c2)[C@@H](C2CCC2)C1 333911288 LMPPABKHXGMVQK-CQSZACIVSA-N 386.520 1.884 0 50 GDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2cscn2)CC1 77343935 TUBLZRCFTZSLGP-UHFFFAOYSA-N 376.530 1.608 0 50 GDAA Cc1cccc2[nH]c(CCN(C)C(=O)C[C@@H]3C(=O)NCCN3CC(C)C)nc12 72164295 CTICWERBKFQBGK-QGZVFWFLSA-N 385.512 1.719 0 50 GDAA COCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72155987 DBTFFXNJNUDTQL-HXUWFJFHSA-N 381.476 1.807 0 50 GDAA CCc1c(C)nn(CCNC(=O)Cn2c(C)nn(-c3ccccc3)c2=O)c1C 77504438 RIEBLZCRADVLGO-UHFFFAOYSA-N 382.468 1.535 0 50 GDAA CCNC(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 363519245 FEBNSHIANBKWBI-RTBURBONSA-N 388.512 1.970 0 50 GDAA CC(=O)Nc1nnc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 36182670 HIRDZHPKSDVJDG-UHFFFAOYSA-N 381.483 1.003 0 50 GDAA Cc1nc(C2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc(=O)[nH]1 32587269 IVWYGIATNXBEDQ-UHFFFAOYSA-N 379.424 1.138 0 50 GDAA CCn1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)Nc2ccccc2)cn1 72419837 JHRIJQWPQWUSFK-HNNXBMFYSA-N 378.454 1.321 0 50 GDAA O=C([C@@H]1CCCCO1)N1CCC(Oc2ccc3c(c2)OCO3)(C(=O)O)CC1 72476697 YBDILTKBPSYCSZ-HNNXBMFYSA-N 377.393 1.809 0 50 GDAA CSc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(=O)[nH]1 219999545 MSXVWVBCIAFKKD-CABCVRRESA-N 375.450 1.596 0 50 GDAA O=C(NCc1ccnc(OCC(F)F)c1)c1cc(N2CCOCC2)ccn1 133660372 FQSDOXQEAICHES-UHFFFAOYSA-N 378.379 1.887 0 50 GDAA CCNS(=O)(=O)c1ccc(NC(=S)NCCCN2CCCC2=O)cc1 17078562 ZYARPAGXPXILKI-UHFFFAOYSA-N 384.527 1.284 0 50 GDAA CC(C)C[C@H](NC(=O)c1cccs1)C(=O)NCc1cc2n(n1)CCNC2 82140418 DLQYAUXBNVGEFP-HNNXBMFYSA-N 375.498 1.509 0 50 GDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 222538927 IBINDXKJMNTQOE-LJQANCHMSA-N 390.415 1.954 0 50 GDAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc2c([nH]c1=O)CCC2 223904179 ULJVCWZPDQNOQQ-HZPDHXFCSA-N 375.450 1.424 0 50 GDAA O=C(NCc1cc2n(n1)CCNC2)c1ccc2sc3c(c2c1)CCNC3=O 82099306 YFIIAQMKMGHPOO-UHFFFAOYSA-N 381.461 1.417 0 50 GDAA O=C(NCCCN1CCOCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 426478865 IHBKZDVBWCAKPE-FQEVSTJZSA-N 375.513 1.734 0 50 GDAA CC(=O)c1ccc(C(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)cc1 96140362 BGHKSBHFEOPDGC-UHFFFAOYSA-N 399.495 1.462 0 50 GDAA CCc1nc(N)sc1C(=O)N1CC[C@H](N2CCOCC2)[C@H](CCC(=O)O)C1 91425343 PTISMTRLTHRFIH-OCCSQVGLSA-N 396.513 1.315 0 50 GDAA CCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1 92061523 YZQMYMBVIYOVHZ-SFHVURJKSA-N 380.514 1.706 0 50 GDAA CCN1CCN(Cc2nc(Cc3cccc(Cl)c3)nn2CC(=O)O)CC1 97546713 PYWTZZYSSDUAGI-UHFFFAOYSA-N 377.876 1.744 0 50 GDAA COCCN1C[C@@]2(CCCN(C(=O)CCc3n[nH]c(C)c3C)C2)CCC1=O 91535296 NGJSQCQIXZACFX-FQEVSTJZSA-N 376.501 1.837 0 50 GDAA Cc1cccc2nc(C(=O)N3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)c(F)n12 95520443 ADWOFEFJFVREBJ-FQEVSTJZSA-N 388.443 1.619 0 50 GDAA Cc1c(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cnn1-c1ccccn1 180522116 RHBOMRJMRUWQLR-UHFFFAOYSA-N 375.392 1.712 0 50 GDAA NC(=O)c1cccnc1N1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 91519370 GIDGLJSZIFGDML-UHFFFAOYSA-N 381.411 1.483 0 50 GDAA COc1cc(C(=O)NCc2cccnc2N)ccc1OC1CCN(C(C)=O)CC1 95499980 SXXILOITKSCGDU-UHFFFAOYSA-N 398.463 1.992 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2 295271607 FBFJJDUIHAJPAK-GFCCVEGCSA-N 380.495 1.474 0 50 GDAA C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C[C@@H]1C 864097066 KBFZJPKRGVLBEA-YUMQZZPRSA-N 379.251 1.964 0 50 GDAA Cc1ccc(N(CC(=O)N2CCC(c3ccncn3)CC2)S(C)(=O)=O)cc1 299800416 VLJMYXYMIKGGFZ-UHFFFAOYSA-N 388.493 1.957 0 50 GDAA CC(C)[C@@H](C(=O)O)N(C)C(=O)CCOCCOCCNC(=O)OC(C)(C)C 390835860 BAUMYIUTKFDNTG-HNNXBMFYSA-N 390.477 1.502 0 50 GDAA CC1(C)SC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)NC1=O 670455948 KNZYTMDWNTVJDK-AWEZNQCLSA-N 388.493 1.422 0 50 GDAA Cc1cc(C)n(CCNS(=O)(=O)c2cc(-c3ccno3)ccc2C)c(=O)n1 670434593 IAHYSMKHVFWGIH-UHFFFAOYSA-N 388.449 1.802 0 50 GDAA CNC(=O)c1cc(O[C@@H]2CCCN(c3ncnc4c3nnn4C3CC3)C2)ccn1 1875320460 QEGNOFWFSNZFJX-CQSZACIVSA-N 394.439 1.359 0 50 GDAA C[C@@H](NC(=O)Cn1c(Cc2ccc(F)cc2)noc1=O)C(=O)N1CCCCC1 1875315623 BNUAGZKMFPCAJX-CYBMUJFWSA-N 390.415 1.083 0 50 GDAA Cc1ccc(Cl)cc1C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)[nH]n2)C1 1875328453 SKGHAFOCRKMBMN-NSHDSACASA-N 375.816 1.115 0 50 GDAA Cc1cnc(C(=O)NCC2CCN(C(=O)CSc3nccn3C)CC2)cn1 952861735 JUEBKBRXLKGWLX-UHFFFAOYSA-N 388.497 1.279 0 50 GDAA CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 1317942847 URAAGWFKCSMVLX-UHFFFAOYSA-N 380.408 1.987 0 50 GDAA O=C(O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 275087326 JRJFQKTXGGPNRO-KRWDZBQOSA-N 381.498 1.551 0 50 GDAA Cc1ccc(-c2nnc([C@H](C)Nc3cnn(CC(=O)NCCO)c3)o2)cc1C 186331383 QYHQZECZXWDCLY-AWEZNQCLSA-N 384.440 1.832 0 50 GDAA O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 170609918 OWOKKVDIBSQTPL-RBUKOAKNSA-N 383.492 1.595 0 50 GDAA O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccoc1Cl 192311239 PHMDXAMUPAVYHP-ZDUSSCGKSA-N 391.859 1.958 0 50 GDAA CCn1nccc1C(=O)N1CCC(CNC(=O)c2c(C)nc3ncccn23)CC1 1506431458 KXLNVGCAGLMSID-UHFFFAOYSA-N 395.467 1.536 0 50 GDAA COc1ccccc1-c1ncc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cn1 1616068788 AKEFUAABBFIPLK-LPHOPBHVSA-N 377.448 1.978 0 50 GDAA Nc1nc(CCNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)cs1 1772808667 XLTFSJXLYYSFTP-LLVKDONJSA-N 393.538 1.482 0 50 GDAA O=C(O)c1cccnc1N1C[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@]2(CO)C1 1772815759 VMYWLJYQNPNTOU-JTSKRJEESA-N 395.459 1.645 0 50 GDAA Cc1cc(C)n(CCC(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)n1 1772812413 ILDQQQLUBTYJPY-UHFFFAOYSA-N 396.538 1.875 0 50 GDAA CNC(=O)Cc1nc(CCCc2nc(-c3ccco3)no2)n([C@@H]2CCOC2)n1 1772812284 DZJGUNMHEGNYAG-GFCCVEGCSA-N 386.412 1.346 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(OC)c1 13154925 JCWWYVLGFJQWIC-WWNBULGVSA-N 378.421 1.861 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 19860406 XFUJFKJKTPJEDK-MRXNPFEDSA-N 399.944 1.656 0 50 GDAA COCCn1nc(C(=O)N2CC(=O)Nc3cnccc32)c2c1[C@H](C)O[C@H](C)C2 1857532838 NBMQCQNJECBXCI-NEPJUHHUSA-N 385.424 1.546 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nccn2C)C1 1857682030 GNWADSJPTUTOIY-LVCYWYKZSA-N 389.544 1.249 0 50 GDAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1857691401 JNNCYEIDMNSNFB-UHFFFAOYSA-N 375.406 1.234 0 50 GDAA O=C(Cc1cccc(Cl)c1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 333303297 QKDSGCFIXBIHLM-SJORKVTESA-N 376.888 1.629 0 50 GDAA COC[C@]1(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)OCCc2ccccc21 263087714 AAFJPPWCPFTPII-NBQZKYEYSA-N 376.453 1.853 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)O)CC2)cc1OCC 265269073 SWUZVMGOVKJHJK-ZDUSSCGKSA-N 386.470 1.263 0 50 GDAA Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)ccc21 931188913 VCPZSPVJUFNMNY-INIZCTEOSA-N 378.432 1.864 0 50 GDAA CC(C)(C)OC(=O)CN1CC[C@@H](OC(=O)c2ncnc3ccsc23)C1=O 850311714 ZJBKSCODBNLGJV-LLVKDONJSA-N 377.422 1.791 0 50 GDAA Cc1ccc(Cn2c(=O)c3c(nc4n(CCO)c(C)c(C)n34)n(C)c2=O)cc1 8706182 BJMKCHWOFMEXSJ-UHFFFAOYSA-N 381.436 1.115 0 50 GDAA O=C1NC(=S)NC(=O)C12[C@@H](c1ccccc1)NC(=S)N[C@@H]2c1ccccc1 13496721 UPVOZJUUXROJCG-ZIAGYGMSSA-N 396.497 1.464 0 50 GDAA CCS(=O)(=O)N1CCC[C@H]1CN=c1ccc2nnc(-c3ccccc3)n2[nH]1 2325792671 CAFJLWALRLJNMN-HNNXBMFYSA-N 386.481 1.439 0 50 GDAA CCc1c(C(=O)N[C@@H]2CCN(C(=O)C3([C@H]4CCCCO4)CC3)C2)nnn1CC 2325829264 DTRRTDWXDDCUQK-GDBMZVCRSA-N 389.500 1.540 0 50 GDAA CN(Cc1cscn1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccs1 2332237989 TUJYCSJJNAIGAO-VXGBXAGGSA-N 399.519 1.006 0 50 GDAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4ccc(F)cc4F)cccc3C2=O)C(=O)N1 1857798082 NAUGUECGJGRBAZ-MRXNPFEDSA-N 399.353 1.978 0 50 GDAA O=C(O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)O 2271037 PQOYLAVKDNWUOQ-VIFPVBQESA-N 377.134 1.339 0 50 GDAA biogenic O=C1CO[C@H](C(=O)NCc2csc(-c3cnccn3)n2)[C@@H](c2ccccc2)N1 2356135114 PYMGIQWSWUQNJW-SJORKVTESA-N 395.444 1.473 0 50 GDAA COc1cc(Br)cc([C@@H]2NC(=S)NC(C)=C2C(N)=O)c1OC 2480150 QMHIWSCWXXLVIY-NSHDSACASA-N 386.271 1.744 0 50 GDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-c2nccc3ncccc23)cc1 2356154214 MXHCTYMNXJOJHI-QZTJIDSGSA-N 397.456 1.839 0 50 GDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2noc(C3CC3)n2)[C@H]1c1ccccc1 2356163678 NGGLBLFSODCZEF-MOPGFXCFSA-N 398.463 1.983 0 50 GDAA O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2996911 XGVIMCKZIUAFOK-UHFFFAOYSA-N 396.479 1.793 0 50 GDAA COc1cc(CNCCN(C)C)ccc1OC[C@H](O)CN1CCSCC1 20914331 HTCRMCQLVYBMSO-QGZVFWFLSA-N 383.558 1.135 0 50 GDAA COCCn1c(COc2ccc(S(C)(=O)=O)cc2)nnc1[C@H]1C[C@@H](N)C1 223590108 LBXYTVJJMDDXNM-JOCQHMNTSA-N 380.470 1.112 0 50 GDAA COc1ccc(CN2CCC(CO)CC2)cc1OC[C@H](O)CN(C)C(C)C 12763217 KWDYOHJYLRBFEC-LJQANCHMSA-N 380.529 1.979 0 50 GDAA O=C(CN1CC(=O)NC1=O)NCc1cccnc1Oc1ccc(F)cc1F 67982403 AMBRZEBWJVMCBR-UHFFFAOYSA-N 376.319 1.320 0 50 GDAA NC(=O)c1cccnc1N1CCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1 120154106 MJYIJXWDTUAMIJ-UHFFFAOYSA-N 396.407 1.105 0 50 GDAA CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 253431087 NXWJHOPULCMGBJ-OAQYLSRUSA-N 399.447 1.664 0 50 GDAA O=S(=O)(Cc1c(F)cccc1F)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 285469613 NOQYKMULSGUMOG-LLVKDONJSA-N 394.465 1.341 0 50 GDAA O=C(NCc1ccnc(-n2ccnc2)c1)NC[C@@H]1CCN(CC(F)(F)F)C1 363207446 DXOPBLVMMIAQJE-AWEZNQCLSA-N 382.390 1.951 0 50 GDAA Cc1cncn1C1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 369152499 BCINNRBIHCFWBB-UXHICEINSA-N 382.464 1.954 0 50 GDAA C[C@H](CCO)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2ccccn2)C1 39344928 WAQXYPOBEFFYHX-XLIONFOSSA-N 391.512 1.309 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C(=O)O)C1 263129782 YALFGWMIOSDDEZ-LBPRGKRZSA-N 399.469 1.664 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 36705440 IMHFYZCURJNYSI-UHFFFAOYSA-N 392.463 1.871 0 50 GDAA Cc1ccc(N(C)CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72437467 OJYXSTGXUDXYJZ-MRXNPFEDSA-N 382.530 1.066 0 50 GDAA CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)N1CCOCC1 77342502 ZBUKAOIHGRCFHB-QGZVFWFLSA-N 381.517 1.957 0 50 GDAA CN1CCN(c2cc(N3CCN(C)[C@@H](Cc4ccccc4)C3)ncn2)CC1=O 286799877 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Cc1nc([C@H](C)N(C)C(=O)CCn2nnnc2CN2CCOCC2)c(C)s1 23338045 SFQDWUOQCLQFPO-LBPRGKRZSA-N 393.517 1.188 0 50 GDAA CN(CCO)C[C@@H]1CN(C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO 91416878 RXEPGNNIILSHFY-IAGOWNOFSA-N 381.948 1.773 0 50 GDAA CCc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)on1 95377330 GFNIEDWWOXDYEO-AWEZNQCLSA-N 379.438 1.234 0 50 GDAA O=C(CC[C@@H]1CCCN(Cc2ccc(-c3nnn[nH]3)cc2)C1)N1CCOCC1 95506563 ABGCMUZUICEXKR-INIZCTEOSA-N 384.484 1.718 0 50 GDAA N[C@@H]1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)C1 91434168 LXCYUBUSBPVIBV-RBUKOAKNSA-N 384.524 1.983 0 50 GDAA COc1cccc(OC[C@H](O)CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1 91651392 IXCYLJBSITZQIB-GFCCVEGCSA-N 375.425 1.246 0 50 GDAA CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)oc2Br)C1 236862321 YCLPNZOEHJBWGI-SECBINFHSA-N 395.275 1.845 0 50 GDAA NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 299749338 JZGVFJQMGBQWKI-MRXNPFEDSA-N 398.415 1.680 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O 252536663 JCYPTIUSFSEGAP-XJKSGUPXSA-N 376.453 1.582 0 50 GDAA CC(=O)c1ccc(-c2cccc(C(=O)NCCN(C)S(C)(=O)=O)c2)nc1 534581818 UWROEEMQLYSDIM-UHFFFAOYSA-N 375.450 1.572 0 50 GDAA O=C(N[C@H]1CN[C@H](C(=O)NCCCn2ccnc2)C1)c1cccc(Cl)c1 67818649 WPMGOBRBABVIIF-CVEARBPZSA-N 375.860 1.203 0 50 GDAA CCn1c(CN2CCn3nc(CNC(=O)COC)cc3C2)nc2ccccc21 299756838 HRXKDWFJCSMSKV-UHFFFAOYSA-N 382.468 1.531 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCc4[nH]ncc4C3)CC2)cc1OC 270144715 PTAKBEQKZXWURX-CQSZACIVSA-N 398.463 1.516 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)c2cc3c(C(F)(F)F)cc(C)nc3o2)C[C@H]1O 1875404000 PHUDSYSAXACYKT-BXKDBHETSA-N 385.342 1.724 0 50 GDAA Cc1cc2c(c(NC(=O)Cc3cncc(Br)c3)nn2C)c(=O)n1C 1875276108 PKBDVLUQKUDLIE-UHFFFAOYSA-N 390.241 1.919 0 50 GDAA CN(C)C(=O)c1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)[nH]1 1875255578 RVEFUBQOUMBTSB-UHFFFAOYSA-N 380.452 1.551 0 50 GDAA Cc1ccnc(-c2noc(CC3CCN(C(=O)CCN4CCOCC4)CC3)n2)c1 881653659 SWRDFABSYKXGKZ-UHFFFAOYSA-N 399.495 1.943 0 50 GDAA CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 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CC(C)(O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 151499659 NAEDLKBKGIUDEY-HNNXBMFYSA-N 396.482 1.889 0 50 GDAA COCCNc1nc2nonc2nc1N1CCCN(Cc2cccs2)CC1 20915388 KNDNODKCTKHRQB-UHFFFAOYSA-N 389.485 1.845 0 50 GDAA CN(Cc1ccccc1)C[C@@H](O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 229767287 GROMLJVHYOGUOF-VGOFRKELSA-N 395.459 1.709 0 50 GDAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 20567996 AIYBMEIGFNOBEQ-UHFFFAOYSA-N 397.566 1.583 0 50 GDAA Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 65362527 XIFOWQZAWPZTNJ-UHFFFAOYSA-N 393.469 1.013 0 50 GDAA O=C(NCCNC(=O)c1ccccc1Cl)NCC1CCN(CCO)CC1 171900055 LWXOPVVCDYZCIR-UHFFFAOYSA-N 382.892 1.073 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H]1c1ncc[nH]1 328630218 PPSLWKCMPFFQAT-AWEZNQCLSA-N 378.454 1.248 0 50 GDAA CN1CCN(Cc2cnc(NCc3ccccc3)nc2)[C@H]2CS(=O)(=O)C[C@H]21 72430209 MQHGMYGFFULZGB-MSOLQXFVSA-N 387.509 1.002 0 50 GDAA CCNC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCN(C)C3)ccc2C1 77380234 LIUZUTFKZCHFSI-OAHLLOKOSA-N 394.541 1.394 0 50 GDAA Cc1nnsc1CN1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71775562 BSKYHRAATQDPGO-MRXNPFEDSA-N 393.557 1.382 0 50 GDAA CN1CCN(n2ccc3nc4ncnn4c(-c4ccc(Cl)cc4)c3c2=O)CC1 38828847 XMYXPKOCTYGNHA-UHFFFAOYSA-N 395.854 1.643 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H](O)c1cccc(OC)c1)C2 375959023 SENJYUBXNAEZJH-GOSISDBHSA-N 390.461 1.222 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 285762100 WDGHNPFPQFLCCT-INIZCTEOSA-N 379.482 1.976 0 50 GDAA COc1ncccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 72479208 KXGHLFKBWJHHEW-WMLDXEAASA-N 383.452 1.509 0 50 GDAA Nc1nc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cs1 77538159 CKXDBVRGOCORAO-UHFFFAOYSA-N 380.495 1.191 0 50 GDAA COc1nc2c(cc1CNC(=O)CN1CCCC1=O)C(=O)N(C1CCCC1)C2 71763663 YWJHHCMBOFCQHK-UHFFFAOYSA-N 386.452 1.227 0 50 GDAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc(CN3C(=O)CNC3=O)c1)CC2 245435464 CWROTXKPNCWCSZ-ROUUACIJSA-N 384.480 1.826 0 50 GDAA CCCC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77505188 MTRXBJLDECNHQD-SFHVURJKSA-N 379.526 1.920 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 46554971 LNHBCSLEJRISOG-KRWDZBQOSA-N 390.461 1.822 0 50 GDAA Cc1ncc2c(c1-c1noc(-c3cccnc3N3CCOCC3)n1)CCNC2 20783224 IKECCCBLRIEDOA-UHFFFAOYSA-N 378.436 1.984 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCCCN(C(=O)C2CCC2)C1 82134801 OXSSUWZPVTZMBM-QGZVFWFLSA-N 382.468 1.502 0 50 GDAA O=C(Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1)NCc1cccs1 426571860 XIWAWIQVUJNMEZ-GOSISDBHSA-N 398.492 1.473 0 50 GDAA CC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)nc(N)n1 223875986 CBZHTSPQAKNPOI-CABCVRRESA-N 377.470 1.743 0 50 GDAA CS(=O)(=O)c1ccc(C2(C(=O)NCCc3cnn[nH]3)CCCCC2)cc1 426403594 SRJLJTYVKFSXMB-UHFFFAOYSA-N 376.482 1.769 0 50 GDAA CN(C)C(=O)N1CC[C@]2(O)CCN(C(=O)CSc3ccccn3)C[C@@H]2C1 92037488 MFPSEGDNHFHMPI-RDTXWAMCSA-N 378.498 1.141 0 50 GDAA O=C(Cc1cc(F)cc(F)c1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 91931083 HMMLBHPUYXXZET-IAGOWNOFSA-N 382.451 1.279 0 50 GDAA O=C(CCc1cc2n(n1)CCCN(Cc1ccc(C(=O)O)cc1)C2)NCCO 91858513 QUEIWWGGENDHJA-UHFFFAOYSA-N 386.452 1.028 0 50 GDAA Cc1ccc(-c2ccnc(N3CCC(NCc4n[nH]c(O)n4)CC3)n2)c(C)n1 95500347 HGMMOBCTECXZON-UHFFFAOYSA-N 380.456 1.738 0 50 GDAA O=C(NCc1noc(-c2ccccc2)n1)[C@H]1CC(=O)N(Cc2ccncc2)C1 95371454 JHTHKFAFASVESH-INIZCTEOSA-N 377.404 1.797 0 50 GDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(F)c(Cl)c1)C2 91644004 YPUSKUGNZPXWER-QWHCGFSZSA-N 384.835 1.954 0 50 GDAA CCn1nccc1NC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 96132014 BUSPWNNHFZVAMM-IPFXWSOASA-N 380.496 1.592 0 50 GDAA Nc1nc2c(c(C(=O)N3CCC[C@@]4(CCC(=O)N(C5CC5)C4)C3)n1)CCCC2 91425572 KDHVLIGADWUMRS-OAQYLSRUSA-N 383.496 1.945 0 50 GDAA COc1ccc(C)cc1NC(=O)CCN1CCC[C@H](C(=O)N2CCOCC2)C1 244574741 CQOGTXXPIUTOFM-KRWDZBQOSA-N 389.496 1.903 0 50 GDAA COc1ccc(OC)c(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)c1 257372052 ROEUQBVKYJKHIG-LJQANCHMSA-N 377.529 1.667 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)Cc3ccc4nsnc4c3)n2C)C1 252537399 LARGJKQEMXBRMM-HDJSIYSDSA-N 385.497 1.834 0 50 GDAA O=C(CN1CCCCC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 299222876 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Cn1cc(-c2nc(C(=O)NC[C@H](N3CCNCC3)C(F)(F)F)cs2)cn1 261679039 ANRBHZCCTVRMAA-LBPRGKRZSA-N 388.419 1.110 0 50 GDAA CN(C)CCN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71750565 PLAKTPFCKGKUEF-FQEVSTJZSA-N 387.572 1.778 0 50 GDAA CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@]1(C)CCCO1)C2 375218463 MBLRDYVPDYIIBZ-SFHVURJKSA-N 381.498 1.574 0 50 GDAA Cc1c(C(N)=O)sc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1C(=O)OC(C)C 17081300 QAYXIELJSVMRDR-GHMZBOCLSA-N 397.497 1.768 0 50 GDAA Cn1c(CO)nnc1CC1CCN(c2ncc(F)c(N3CCCC3)n2)CC1 82092092 AGYSQEBVYDPLNE-UHFFFAOYSA-N 375.452 1.296 0 50 GDAA CN1CC[C@@H](NC(=O)N2CCC3(CC2)CNC(=O)O3)[C@@H](Cc2ccccc2)C1 426403801 UUPIOHWLHXRHSK-ZWKOTPCHSA-N 386.496 1.833 0 50 GDAA CCCN(C)c1ccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 180299662 RIXKGNBDVABVPR-UHFFFAOYSA-N 393.553 1.868 0 50 GDAA COc1cc(-c2ccc(C(=O)N3CCN(C4CCCC4)C(=O)C3)cc2)nc(N)n1 426726727 HGZCJRUTCREITE-UHFFFAOYSA-N 395.463 1.961 0 50 GDAA O=C1NCC2(CCN(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)O1 95501126 WWMRXSQPPOIGFJ-UHFFFAOYSA-N 388.424 1.265 0 50 GDAA O=C(NCC[C@H]1COc2ccccc2O1)N1CCN(C(=O)c2ccc[nH]2)CC1 426444643 QGLLCBLIUSOIMJ-HNNXBMFYSA-N 384.436 1.712 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C 95520059 SAOUUCFBWFBXNG-UHFFFAOYSA-N 386.504 1.127 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 95525635 JONILINXQNJKRD-KRWDZBQOSA-N 397.479 1.225 0 50 GDAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CCN2C 95374073 UZQHRXVJBUJPTG-OAQYLSRUSA-N 381.480 1.641 0 50 GDAA Cc1c(Cl)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nn1C 92107936 KHCCPIQAJSBBNS-CABCVRRESA-N 384.908 1.317 0 50 GDAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCCc2ccccn2)c1 95519087 HPHAVGLDGGSPQQ-MRXNPFEDSA-N 375.450 1.121 0 50 GDAA O=C(N1CCCC1)N1CC[C@]2(O)CCN(c3nnnn3-c3ccccc3)C[C@@H]2C1 95376272 HYNSLFCUQBZTCT-OXQOHEQNSA-N 397.483 1.141 0 50 GDAA CCCN(Cc1ccc(SC)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 244875082 XMIDIDOUJRGMDP-CQSZACIVSA-N 388.493 1.762 0 50 GDAA COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 298172402 POMYMVXHENIIEI-INIZCTEOSA-N 385.395 1.806 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ncc(C(N)=O)s1 298273592 CGWUBTZFWWEGAG-GFCCVEGCSA-N 388.449 1.884 0 50 GDAA Cn1cc(Cl)cc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670450064 JSODNSNQNUIPQM-RNFHDMOYSA-N 384.911 1.976 0 50 GDAA Cn1cc(CCC(=O)N[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)nn1 1875403215 SEHAUQARVVEKMQ-ATZDWAIDSA-N 394.479 1.567 0 50 GDAA COC(=O)c1nc(=N[C@@H]2CCCN(C(=O)c3ccnc(C4CC4)c3)C2)cc[nH]1 1875311784 AJUGATBASBPERZ-OAHLLOKOSA-N 381.436 1.674 0 50 GDAA CC(C)(C(=O)NCCc1nnc2c(=O)n(C3CC3)ccn12)n1ccc(C2CC2)n1 1875397299 UVWBZLXZJUMAOL-UHFFFAOYSA-N 395.467 1.394 0 50 GDAA COc1cccc(OCC(=O)N2CCC[C@H](N(C)CC(=O)N3CCC3)C2)c1 1875362113 RPPWYQLPSPYRER-INIZCTEOSA-N 375.469 1.229 0 50 GDAA Cc1cc(N)n(CC(=O)NCC[C@H](C)NC(=O)[C@]2(C)C[C@H]2C(F)(F)F)n1 1875332601 AHZFZYKEAFYZKV-ZVWUFJHRSA-N 375.395 1.373 0 50 GDAA Cc1nc(O)[nH]c1C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C(C)C)cc1O2 1875394772 WJNMCPAUAIGRIR-GFCCVEGCSA-N 375.429 1.692 0 50 GDAA CCc1nccn1CCC(=O)NC[C@H]1CCCN(c2nccnc2C(=O)O)C1 952979776 PMNMWTJGZLZWAT-CQSZACIVSA-N 386.456 1.357 0 50 GDAA CSCC[C@H](C(=O)NCCn1ccnc1)n1c(O)nc2ccccc2c1=O 888089977 RZQAUKBGFXNSKR-OAHLLOKOSA-N 387.465 1.409 0 50 GDAA CC(C)Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)nc(O)n1 952984956 PCKHJDVRNQIUQT-HNNXBMFYSA-N 383.452 1.697 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCCc3ccccc32)c1 798318815 NXOXSSGRBPTAGI-UHFFFAOYSA-N 377.441 1.656 0 50 GDAA CCCn1cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c(C)n1 1565515811 BFXRLDMVUCKQRZ-ROUUACIJSA-N 375.473 1.572 0 50 GDAA CSCC[C@@H](NC(=O)COC[C@H]1CCCNC1)c1nnc2ccccn12 170591646 PDWHGZWSSWLHJQ-LSDHHAIUSA-N 377.514 1.656 0 50 GDAA C[C@H](CN1CCOCC1)NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 193462115 MWTMJYGJHDHNFG-OAHLLOKOSA-N 396.482 1.949 0 50 GDAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]2CC1=O 1529169478 ZTHVXGHIFGODLK-OWCLPIDISA-N 378.494 1.566 0 50 GDAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cnc(C(N)=O)cn2)cc1 1772705169 FTQBEBOHWVGMTP-INIZCTEOSA-N 384.436 1.448 0 50 GDAA CCn1cc(C(=O)N2C[C@@H]3CN(CC(=O)O)C[C@]3(CCc3ccccc3)C2)cn1 1772819897 WWKVWANSQHUFON-SIKLNZKXSA-N 396.491 1.994 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCCOc1cccnc1 11821455 ODKBCZVYXUOCKR-LJQANCHMSA-N 382.464 1.010 0 50 GDAA CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)NC(=O)N[C@@]1(O)C(F)(F)F 11859197 NIJSHWGTKMTGBK-PGUXBMHVSA-N 392.330 1.488 0 50 GDAA O=C(CCC1CCN(C(=O)CCN2CCCCO2)CC1)NC[C@H]1CCCO1 12030932 GDBRERCZNRVJTJ-GOSISDBHSA-N 381.517 1.718 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)c(C)n23)n(C)c1=O 13540927 GYUPRJOIVRATNB-UHFFFAOYSA-N 385.399 1.541 0 50 GDAA Cc1ccc(OC(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14531100 KBOBEDRWWKKRCD-RTBURBONSA-N 393.443 1.748 0 50 GDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3ccccc3F)C[C@H]12 14731739 VJQQHXXPBJGRNT-RBUKOAKNSA-N 383.423 1.285 0 50 GDAA COc1nc(Oc2ccc(=O)n(Cc3ccc(Cl)cc3)n2)nc(N(C)C)n1 16649103 VDPRZJBNXKBLSS-UHFFFAOYSA-N 388.815 1.997 0 50 GDAA O[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1N=c1[nH]c(C2CC2)ncc1Br 1857530853 WIVQUFJCQSKRQA-BPNCWPANSA-N 378.274 1.987 0 50 GDAA CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)CCO2 1857695159 XBOPEFPOUKXTGO-IBGZPJMESA-N 385.508 1.891 0 50 GDAA Cc1cccn2ncc(-c3nccn3CCS(=O)(=O)N3CCOCC3)c12 1857718595 MDVZDOGABZYCAR-UHFFFAOYSA-N 375.454 1.168 0 50 GDAA CCOC(=O)c1[nH]cnc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857737192 ARAHCQMWRUTSNW-HRCADAONSA-N 384.436 1.531 0 50 GDAA CN1CCC(C)(C(=O)NC[C@H]2[C@H]3CN(c4ccccn4)C[C@]34CC[C@H]2O4)CC1 1875249946 LWMQEAHXFIFDNH-KCXPTXFHSA-N 384.524 1.914 0 50 GDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1coc(CN3CCOCC3)c1)C2 247976035 FPGNIEJNGXYLJC-WBVHZDCISA-N 375.469 1.585 0 50 GDAA O=C(C[C@H]1C=CCCC1)N[C@H]1CC2(CN(C(=O)c3n[nH]cc3F)C2)n2ccnc21 2332237848 OHXIYMMOLGGKMI-ZFWWWQNUSA-N 398.442 1.904 0 50 GDAA COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2)cc1 1033354 UGEFXKBQHAVQQX-KRWDZBQOSA-N 385.395 1.804 0 50 GDAA CC(C)Oc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCN(C)C)C2)cc1 11663022 VTVPTICVZMXSEA-SFHVURJKSA-N 375.513 1.933 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccn2)cc1 11665079 AHLCODGNSTVNLY-HXUWFJFHSA-N 396.491 1.530 0 50 GDAA NC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 15542377 NFPKLXWWAYUEHT-UHFFFAOYSA-N 393.490 1.886 0 50 GDAA CN(Cc1ccccc1)C1(C(=O)NCCN2CCNC2=O)Cc2ccccc2C1 39515460 FETDWVHLNRBEPF-UHFFFAOYSA-N 392.503 1.797 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 65364594 PIDCUIQOOLHVAZ-CQSZACIVSA-N 379.482 1.814 0 50 GDAA COC(=O)[C@@H]1N[C@H](c2ccccc2OCc2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 65406901 DQFLPIWNAINFNX-FCGDIQPGSA-N 394.427 1.683 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCc1cscn1 67821973 TVVMYMMBEKMROX-MRXNPFEDSA-N 394.447 1.471 0 50 GDAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@@H](N)CCCCO)C2 71747934 DZUZFQPOSDRYAZ-KRWDZBQOSA-N 383.496 1.584 0 50 GDAA NCCCNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71751816 JHJCYYGGWVFAHC-MRXNPFEDSA-N 385.512 1.974 0 50 GDAA COc1nc2c(cc1CNC(=O)c1cccn(C)c1=O)C(=O)N(C1CCCC1)C2 71765539 GTCPHFIRKJKRFV-UHFFFAOYSA-N 396.447 1.617 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 72117226 DGEJINDEUCWXRW-UHFFFAOYSA-N 392.485 1.193 0 50 GDAA CS(=O)(=O)NC[C@]1(O)CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 72135450 RNIYSGLTGAYTTF-SFHVURJKSA-N 379.482 1.003 0 50 GDAA Cc1ccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cnnn3)CC2=O)cc1 82136963 OINHJPOVRAHHLR-LJQANCHMSA-N 376.420 1.446 0 50 GDAA Cc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 91381462 IEULOOYALHYNTK-UHFFFAOYSA-N 380.452 1.434 0 50 GDAA Cc1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1F 91793452 PESZKMMSXDNJRQ-CTNGQTDRSA-N 391.531 1.914 0 50 GDAA O=C(c1ccc2scnc2c1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91907533 JUANIQIBFRKJRP-HUUCEWRRSA-N 375.494 1.699 0 50 GDAA COc1cccc(-c2n[nH]cc2C(=O)N2CCN(CCn3cncn3)CC2)c1 92099165 AIMMTVMNYMVXMH-UHFFFAOYSA-N 381.440 1.135 0 50 GDAA O=C(NCCSCc1ccccc1)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1 95378093 LPTSFTFTUJHDGL-QZTJIDSGSA-N 375.538 1.884 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1cccc(OC(F)F)c1)CC2 95391050 BJXSTPYWCAFNGR-CYBMUJFWSA-N 382.363 1.826 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2O)CN1C1CCOCC1 95506873 WYTXHTVMZFTYGJ-YOEHRIQHSA-N 375.469 1.188 0 50 GDAA O=C(CCc1ccc(F)cc1)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96152444 HEWQHIRRKVYLSC-KKSFZXQISA-N 388.439 1.930 0 50 GDAA O=C(NC1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1)C1CC1 141302484 DQFPQFXNXIQHNU-IBGZPJMESA-N 383.492 1.737 0 50 GDAA Cc1c(CS(C)(=O)=O)cccc1N[C@@H]1CCCN(c2ccn(C)n2)C1=O 170643366 WOMVXJMLBOANAB-MRXNPFEDSA-N 376.482 1.881 0 50 GDAA COc1ccc(CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F 178078545 ATYTUQKVDZGWNO-QGZVFWFLSA-N 392.475 1.325 0 50 GDAA CC(C)(C)C(=O)Cn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)nn1 179562377 KNXWKAYJOJJNHU-UHFFFAOYSA-N 384.484 1.935 0 50 GDAA CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)O1 180821479 DILZKMPAUXAVCE-YOEHRIQHSA-N 389.431 1.446 0 50 GDAA O=C(NC1(CO)CCCC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 182731333 CVBRCUNTIGCKNG-CQSZACIVSA-N 380.872 1.989 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 192938400 GEUIILZZEYKKAH-QGZVFWFLSA-N 377.514 1.575 0 50 GDAA Cc1nc2ncc(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCCC4)C3)c(=O)n2[nH]1 215300998 ZBUAWFVDOMUDHR-KGLIPLIRSA-N 386.456 1.027 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225743031 OAFVEHMMPYZIOD-NCOADZHNSA-N 376.840 1.951 0 50 GDAA CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1O[C@H]2[C@@H]2ON=C(c3ccc(Br)cc3)[C@@H]12 241653312 PUCQHYLFIGANKI-BTCVBBGESA-N 377.194 1.180 0 50 GDAA COc1ccc(CN2CC[C@H](N3CCOCC3)[C@@H](O)C2)cc1Cn1cccn1 247868171 BUMJKXOPLASCFH-PMACEKPBSA-N 386.496 1.207 0 50 GDAA CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)[C@H]1c1cccc(Cl)c1 269049500 UPHAJKZAKIPYDJ-GRDNDAEWSA-N 380.828 1.562 0 50 GDAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1CCN(c2ccccc2)C1 298681480 OQLAYAGHRQOLGQ-SJLPKXTDSA-N 394.541 1.626 0 50 GDAA O=C(NC[C@@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1)c1ccc(Cl)o1 328605011 LXGSYFHHAULENI-GFCCVEGCSA-N 392.843 1.594 0 50 GDAA CC(C)Cn1cnc(S(=O)(=O)N2CC[C@](O)(c3nc(C(C)C)no3)C2)c1 328612355 OMHGZRYWRSDXJC-MRXNPFEDSA-N 383.474 1.328 0 50 GDAA Cc1ccc(NC(=O)NC(=O)CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1C 333487557 UHLZVELUWTYNSH-IRXDYDNUSA-N 393.509 1.993 0 50 GDAA CC(C)(C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(F)c2)C1)C(N)=O 414324544 ITXUKXBODSISQU-NSHDSACASA-N 386.445 1.826 0 50 GDAA Cc1ccc(OCCNc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)cc1C 426503617 VVXDBMNNNHHUQD-INIZCTEOSA-N 384.480 2.269 0 50 GDAA COc1cccc(CCNC(=O)N2CCN(c3ccc4nccn4n3)CC2)c1 426545512 YCVJQNJUCYMDGJ-UHFFFAOYSA-N 380.452 1.812 0 50 GDAA CC(C)c1nnc2c(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nccn12 489317755 BPAQOJGTMNGGMN-UHFFFAOYSA-N 394.435 1.939 0 50 GDAA COc1ccc(-n2cccn2)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 824629320 AFBLMOFSJLUNAZ-KRWDZBQOSA-N 384.480 1.952 0 50 GDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc2ncc(Br)cn2n1 907268912 AXJPHPPFUAJMHA-VIFPVBQESA-N 378.230 1.233 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)N(C)CCc1nc2ccc(OC)cc2[nH]1 952964798 OQALIJATCMCQIV-CYBMUJFWSA-N 382.486 1.401 0 50 GDAA 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CCn1c(SCC(N)=O)nc2ccc(I)cc2c1=O 987570 KSNIRGOFNWEXBP-UHFFFAOYSA-N 389.218 1.598 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N/N=c2\sc3ccccc3n2C)cc1 1589622 GVJNETLHVUABRY-VLGSPTGOSA-N 376.463 1.992 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@]1(O)C(F)(F)F 4269904 WRLCEQUZNVPEHY-MISXGVKJSA-N 392.355 1.364 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 4839411 WBFDEKCAKBNDNF-UHFFFAOYSA-N 382.482 1.345 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)CN2C(=O)COc3ccccc32)n1 10045499 CFHVLWSPFBUXPQ-UHFFFAOYSA-N 375.406 1.613 0 50 GDAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1 10452424 CPPXIDBTLPWUAG-OAHLLOKOSA-N 391.493 1.578 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1n[nH]c2c1CCCCC2 12439666 ZABHEUKIQIDQOO-HXUWFJFHSA-N 395.507 1.686 0 50 GDAA CCCn1nc(Oc2nc(N(CC)CC)nc(N3CCOCC3)n2)ccc1=O 16651704 XISODXDXMIRWQD-UHFFFAOYSA-N 389.460 1.313 0 50 GDAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cn(CCN2CCOCC2)nn1 19851696 OIJVQOJNMFMJEP-CQSZACIVSA-N 384.362 1.039 0 50 GDAA O=C(C1=CCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 20537694 DGAMTRSYQGUDPU-FGZHOGPDSA-N 383.536 1.919 0 50 GDAA COC(=O)c1ccc(OCC(O)COc2ccc(C(=O)OC)c(O)c2)cc1O 39253925 ZZGQHXKXXNWKAY-UHFFFAOYSA-N 392.360 1.490 0 50 GDAA O=C(O)c1ccc(-c2noc(CN3CCN([C@H]4CCCC[C@@H]4O)CC3)n2)cc1 67975403 FISWLWXNODSVKH-IRXDYDNUSA-N 386.452 1.856 0 50 GDAA NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CCN(c2ncnc4c2CCC4)C3)cc1 71750140 XBCKNKXOEDXQLP-UHFFFAOYSA-N 388.431 1.377 0 50 GDAA COc1cccc(-c2cc(CC3(O)CCN(C(=O)c4cn[nH]n4)CC3)on2)c1 72165860 VZJXEZQGFBFLSQ-UHFFFAOYSA-N 383.408 1.678 0 50 GDAA CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@H]1O 72446794 KSVONNRXYJBATK-RBSFLKMASA-N 386.539 1.911 0 50 GDAA Cc1nc(C)n(C[C@H](C)C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n1 72447357 SWIKWOJUSJIDFR-ZDUSSCGKSA-N 397.483 1.893 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 72480877 WTIGKPIYKHBIIM-QGZVFWFLSA-N 375.517 1.934 0 50 GDAA COc1cccc([C@@H]2CN(Cc3cn[nH]c3C(=O)O)C[C@H]2C(=O)O)c1OC 91504267 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O=S(=O)(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc2ncccc12 378052112 KTSIMFIKGOEDSO-UHFFFAOYSA-N 395.506 1.470 0 50 GDAA COc1nc2c(cc1C(=O)N[C@H](C)c1nc(N)n[nH]1)C(=O)N(C1CCCC1)C2 426647362 UEQPPQYNGNAYJF-SECBINFHSA-N 385.428 1.180 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cccc4cccnc34)C2)n1 779875190 BEPZLEBARMVTSG-GOSISDBHSA-N 388.449 1.604 0 50 GDAA Cc1c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cnc2ccnn12 827968300 OXIAUFHBCMMAIY-UHFFFAOYSA-N 395.419 1.528 0 50 GDAA Cc1nc(N(C)C)ncc1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828199514 HRMPRPOMOJXVPW-BAUKFBFWSA-N 382.472 1.315 0 50 GDAA Cn1cc(Cl)c(C(=O)NC[C@H]2CCCCN2C(=O)c2nn(C)cc2Cl)n1 876307898 PBADNOGOOFMBBY-SNVBAGLBSA-N 399.282 1.885 0 50 GDAA CC[C@@H](C(=O)NCC1CCN(C(=O)c2c(O)cccc2O)CC1)n1cccn1 952979249 ZQHVUEJSDZHWFB-HNNXBMFYSA-N 386.452 1.914 0 50 GDAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506414781 IMJRVWQNGMGRQU-KWQFWETISA-N 395.359 1.771 0 50 GDAA O=C(c1ccc2scnc2c1)N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1 1565527713 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Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 13009218 HHUFSFTWUCPMPL-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CO[C@H]1CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C1 14531641 LSTZAGNXQQIAOO-KRWDZBQOSA-N 382.416 1.915 0 50 GDAA C[C@H]1C(=O)N2CCN(Cc3ccc(CN4CCCCC4)s3)C[C@@H]2C(=O)N1C 14538804 MGWSBYQDOVPGJR-MAUKXSAKSA-N 390.553 1.607 0 50 GDAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C)CC2 14746664 RANLRJHIHYIGBB-UHFFFAOYSA-N 375.469 1.960 0 50 GDAA COCCN1CC[C@@H](C(=O)NCc2nc(-c3ccc(OC)c(O)c3)oc2C)C1 1857679599 YROHPAWCKQOIQM-OAHLLOKOSA-N 389.452 1.949 0 50 GDAA COc1cc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)nc2ccccc12 1857729145 KRABSKJNIFLIJO-XCRHUMRWSA-N 389.477 1.043 0 50 GDAA O=C(O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1COCCO1 262883477 ZGABASQHIYQXKE-KBPBESRZSA-N 397.225 1.458 0 50 GDAA Cc1nc2c([nH]1)CN(C(=O)[C@H]1OCC(=O)N(C3CC3)[C@@H]1c1cccnc1)CC2 2100483793 PPBNCIOOOJYJKG-MOPGFXCFSA-N 381.436 1.129 0 50 GDAA Cc1cc(F)c2c(c1)N[C@H](C(=O)N1CCC([C@]3(O)C[C@@H](C(=O)O)C3)CC1)C2 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389.437 1.362 0 50 GDAA O=C(/C=C/c1c(F)cccc1F)NCCS(=O)(=O)NC[C@H]1CCCCO1 170624850 CKDFJPBRDOKEIC-SBDDDAINSA-N 388.436 1.583 0 50 GDAA COC(=O)[C@H]1CCCN2C(=O)N(c3cc(C(=O)N(C)C)ccc3Cl)C(=O)[C@H]12 170613894 BGZLRMQIVKGIOZ-FZMZJTMJSA-N 393.827 1.762 0 50 GDAA CN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C[C@@H]1c1nccn1C 280171733 SMUFNPKJHPASRH-GOSISDBHSA-N 391.541 1.170 0 50 GDAA CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 189171525 VVZIMGNSEIICEI-AWEZNQCLSA-N 380.872 1.798 0 50 GDAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1 408525195 PCEHINKHSPKEMY-DFXHGPDCSA-N 399.472 1.724 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)C1 1506401555 TYKWTBUGADEHFK-INIZCTEOSA-N 399.488 1.073 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CC12CCOCC2 1800410386 SKBZQQLHZXDBKM-ZDUSSCGKSA-N 395.839 1.994 0 50 GDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NC[C@@H]2CCCO2)c1 14951247 GRLCMZVPQOGHID-KRWDZBQOSA-N 376.453 1.994 0 50 GDAA COc1cnc(C)cc1-c1nc(-c2c[nH]nc2C)nn1[C@@H]1CCS(=O)(=O)C1 1857680035 FQVJGEBAKTWBHK-GFCCVEGCSA-N 388.453 1.715 0 50 GDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)N[C@H]1CCCNC1 1857694698 UVCNZYPEPBHSJS-ZWKOTPCHSA-N 382.512 1.341 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CC2=O)s1 1857696803 DJTOMRSEPLGODI-AWEZNQCLSA-N 386.477 1.710 0 50 GDAA COc1c(C(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2F)c(OC)c1OC 1875248349 LZRDYFVMIZGTMZ-UHFFFAOYSA-N 385.369 1.864 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N[C@H]3CCCn4nc(COC)nc43)cc12 328608475 ANGRXIOAQWJSRZ-ZDUSSCGKSA-N 392.441 1.337 0 50 GDAA Cc1c(C(=O)N2[C@H]3COC[C@H]2C3)sc2ncc(C(=O)N3[C@H]4COC[C@H]3C4)cc12 333467216 MZAKCFLEDCXKMR-KBUPBQIOSA-N 399.472 1.831 0 50 GDAA Cc1cccc(Cl)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 333923811 SPLVFVSQTPQXPH-QWHCGFSZSA-N 379.887 1.225 0 50 GDAA Cc1ccccc1CC(=O)N1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1 20135612 HMZDWHDOQFJXHZ-UHFFFAOYSA-N 398.511 1.284 0 50 GDAA COc1cc(CCC(=O)N2CCO[C@H](C(=O)O)C2)ccc1OCC(F)(F)F 263045540 WIGBQXNZTKBEIR-AWEZNQCLSA-N 391.342 1.881 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)O[C@H]2CCC(=O)NC2)C1 809017197 WHFWWZWAFMFULK-OLZOCXBDSA-N 392.456 1.960 0 50 GDAA CCc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 780985 NTUMICHIIABCOH-UHFFFAOYSA-N 387.465 1.264 0 50 GDAA biogenic CCOC(=O)COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 1202667 FNZNSHWYFTYTHY-MRXNPFEDSA-N 394.449 1.603 0 50 GDAA CCCNC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C1 2100545459 WLCYOEGOPJFLGD-IHRRRGAJSA-N 379.457 1.204 0 50 GDAA CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)C2 2325796451 RJCHRFUCNKHRQU-CYBMUJFWSA-N 393.846 1.913 0 50 GDAA CCC(C)(C)CC(=O)N1CC2(C[C@@H](NC(=O)Cc3ccnn3C)c3nccn32)C1 2332238077 XUXYQMAMHOXMNW-MRXNPFEDSA-N 398.511 1.784 0 50 GDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4ccc(F)cc4)cccc3C2=O)C(=O)N1 1857798045 LIDRXMLRSXYGFH-INIZCTEOSA-N 381.363 1.839 0 50 GDAA COCCN1CCC[C@]2(CCCN2C(=O)c2cc(OC)c(O)c(OC)c2)C1=O 2356143010 QQWNVKOKMCLHQP-FQEVSTJZSA-N 392.452 1.653 0 50 GDAA O=C(COc1cccc(Br)c1)N1CCN(c2ncccn2)CC1 6285442 YHBANUWBVWHJTG-UHFFFAOYSA-N 377.242 1.967 0 50 GDAA C/C=C/Cn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)c(C)n23)n(C)c1=O 8706273 USBQXYYPJAUQMD-AATRIKPKSA-N 378.436 1.914 0 50 GDAA O=C(CNC(=O)c1ccccn1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 172546968 UGTPILLKECQNKN-AWEZNQCLSA-N 388.418 1.870 0 50 GDAA CCn1c([C@H]2CCCN(C(=O)Cn3ccnc3-c3ccccc3)C2)n[nH]c1=O 67740570 IAGGNCRCZLVVGV-INIZCTEOSA-N 380.452 1.861 0 50 GDAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3snnc3C)CC2)n1 67622442 YZSDJLVLEHDUPE-UHFFFAOYSA-N 387.513 1.898 0 50 GDAA CS(=O)(=O)N1CCC(NC(=O)c2cccc(NC(=O)C3CCCC3)c2)CC1 65455054 BCTZDWJXWRXWJA-UHFFFAOYSA-N 393.509 1.969 0 50 GDAA O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(c2ccccc2)CC1 20737873 LJBCOHVZFAVLEL-UHFFFAOYSA-N 391.479 1.690 0 50 GDAA CN(CCOc1ccccc1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20514080 WGFCZXNTTLJTFH-SFHVURJKSA-N 389.496 1.095 0 50 GDAA Cc1ccc(NC(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)cc1C 23398078 FCJHUJPBAQBOSY-GOSISDBHSA-N 385.468 1.814 0 50 GDAA CC(C)(C)OC(=O)N1CCOC[C@H]1c1ncn(CC(=O)NCC(F)(F)F)n1 252497147 PZZDCJVMHAAGCG-JTQLQIEISA-N 393.366 1.265 0 50 GDAA C[C@@H](C(=O)N1CCc2c(c(C(=O)O)nn2CCO)C1)n1cnc2ccccc21 67562239 WITXXLJWMHCHGX-LBPRGKRZSA-N 383.408 1.069 0 50 GDAA O=C(Cn1nnc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 32097007 HSLKLWVPJKKCNK-UHFFFAOYSA-N 398.850 1.955 0 50 GDAA COc1ccc(CN2CCN[C@H](C(=O)NCc3cccnc3)C2)c(OC)c1C 72132996 UNEOSIHAIJPJQK-SFHVURJKSA-N 384.480 1.497 0 50 GDAA CCCN1CCN(C(=O)c2ccc3c(ccn3CC)c2)[C@H]2CS(=O)(=O)C[C@H]21 77389768 HKPDWWBGODIOPG-MOPGFXCFSA-N 389.521 1.995 0 50 GDAA CNc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71681255 QBSJWWHLNRZQOQ-INIZCTEOSA-N 388.516 1.058 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)s1 371589908 VXRJSYLLEXVJQP-LBPRGKRZSA-N 395.466 1.602 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(Cc2cccc3c2OCO3)C[C@H]1C(F)(F)F 377692541 JFGKXAPJYCACEX-DGCLKSJQSA-N 380.388 1.669 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)NC1CCN(C(=O)c2ccco2)CC1 72476998 OJWCZPSXUIZVQR-UHFFFAOYSA-N 385.468 1.323 0 50 GDAA CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCc2ccncc2OCC(F)(F)F)O1 287284102 YQUJGXUJRVOHNC-NWDGAFQWSA-N 375.347 1.275 0 50 GDAA Cc1nccnc1CN1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 426529196 CTLUQWGDXROTAE-INIZCTEOSA-N 385.516 1.250 0 50 GDAA COc1ccccc1CNC(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426523274 XNVYUDDJQIVWSJ-CQSZACIVSA-N 375.498 1.699 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 20608424 MLYMSSNVIVVWOX-MRXNPFEDSA-N 399.944 1.656 0 50 GDAA CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCN3CCCC3=O)CC2)[C@H]1O 20212048 DGKLUGSRWUXGAK-YADHBBJMSA-N 399.535 1.927 0 50 GDAA COc1ccc(NC(C)=O)cc1NC(=O)N(C)CC1CCN(CCO)CC1 95516463 CZXQWZQECWCDLR-UHFFFAOYSA-N 378.473 1.822 0 50 GDAA N=c1cc[nH]cc1-c1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 426641293 AHJXAVBSNPKEIM-KRWDZBQOSA-N 381.480 1.478 0 50 GDAA CC(C)[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95517468 IFUSHKDICOWJCP-JKSUJKDBSA-N 385.555 1.658 0 50 GDAA CNC(=O)c1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cc1 96179725 WVJDHEBOBSBJIA-UWJYYQICSA-N 387.480 1.044 0 50 GDAA CCc1ncc(C(=O)N2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)cn1 95385198 IGQIDFRWRSDCKY-UHFFFAOYSA-N 387.528 1.836 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1cccnc1)CC2 91893895 BHCSIDFSIJUVMQ-UHFFFAOYSA-N 381.498 1.511 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1)CC2 95499371 HYWKIMRUXXXZKN-UHFFFAOYSA-N 382.464 1.501 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)nc1C)CC2 95507942 GTGCZDQSFRTGSZ-UHFFFAOYSA-N 382.468 1.743 0 50 GDAA CCN(C(=O)CCCc1nc(-c2ccncc2)no1)[C@H]1CCS(=O)(=O)C1 91665792 DCZHRZYOTPFQQJ-AWEZNQCLSA-N 378.454 1.490 0 50 GDAA COCCCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C(=O)OC 245246794 ODAVAJYLFNYAEO-GLJUWKHASA-N 380.466 1.861 0 50 GDAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 299749938 MDRFRULFTBJVBZ-ZDUSSCGKSA-N 378.406 1.073 0 50 GDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 253398244 CALAZEPQFWTIHL-SWLSCSKDSA-N 381.388 1.083 0 50 GDAA biogenic CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 61969836 XZPWNFGOOLCKQG-SFHVURJKSA-N 395.450 1.540 0 50 GDAA O=C(NCc1c(Cl)cccc1Cl)N1CCN(CCOCCO)CC1 584903303 LTYQBNTUDPHRJW-UHFFFAOYSA-N 376.284 1.830 0 50 GDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cnc2ccccc2n1 670474197 SUSZIPWXMOWRCT-NZAVSEOKSA-N 399.498 1.927 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2c2ccccc2)CC1 1875371296 WMWSKQUJVPTYHZ-QGZVFWFLSA-N 376.478 1.409 0 50 GDAA Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C 1875302934 OHJFGFHCJIHNMA-ZFWWWQNUSA-N 390.484 1.815 0 50 GDAA CNC(=O)C[C@@H]1CN(c2ccnc3ccc(S(=O)(=O)C(C)C)cc23)C[C@H]1O 1875398102 BDOXTZRKMZHALI-FZKQIMNGSA-N 391.493 1.350 0 50 GDAA Cc1cc(C)nc(N[C@H]2[C@@H]3CN(C(=O)CNC(=O)c4cccc(F)c4)C[C@@H]32)n1 1875310147 GDZGTHRQMWHJKC-VQFNDLOPSA-N 383.427 1.531 0 50 GDAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)[C@H](C)CN1C 1875350403 LLHHOSGKCHXLSZ-VXGBXAGGSA-N 382.424 1.253 0 50 GDAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(C)(=O)=O)C2)c2ccccc12 1875390877 ZBIZTAQMKAUZIC-CYBMUJFWSA-N 390.461 1.776 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)NCCc2ccc(OC)c3ccccc23)C[C@H]1O 1875401045 RKFQHROFFVCJMI-CRAIPNDOSA-N 385.464 1.529 0 50 GDAA CC(C)Cn1nnc2c1C[C@H](c1nc(Cn3nc4ccccn4c3=O)no1)CC2 952893357 ISTZJVRYMXZJCW-CYBMUJFWSA-N 394.439 1.447 0 50 GDAA CN(CC1(c2ccccc2)CC1)c1ncnc2c1ncn2CC(C)(CO)CO 1875269187 LRFDTILAFOCGHJ-UHFFFAOYSA-N 381.480 1.985 0 50 GDAA O=C1NC(=O)[C@@]2(CCCN(C(=O)[C@H](O)Cc3cc(Cl)cc(Cl)c3)C2)N1 1875274353 QWTSRUQPCCUTJW-WBMJQRKESA-N 386.235 1.097 0 50 GDAA Cc1ncnc(N2CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)c1C 952969403 COHPGTDOWGRPQJ-GOSISDBHSA-N 392.467 1.213 0 50 GDAA Cc1ncnc(N2CCN(C(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)c1C 952969953 DJEKRHVNDMSFFF-IBGZPJMESA-N 396.495 1.211 0 50 GDAA COCC(=O)N1CCC2(CC1)CN(Cc1nc(O)c3sccc3n1)CCO2 952980527 PYARHELBIFUNSV-UHFFFAOYSA-N 392.481 1.237 0 50 GDAA Cn1ncc2c(N3CCO[C@](C)(CNC(=O)c4ccoc4C4CC4)C3)ncnc21 1775993058 ZICROCMTSPHAAL-HXUWFJFHSA-N 396.451 1.859 0 50 GDAA COc1c(C(=O)N2CC[C@]3(NC(=O)[C@H](C)C(C)(F)F)CCC[C@H]23)cnn1C 1775993385 ZSYWBWFAZLCAGJ-RRUGBERISA-N 384.427 1.973 0 50 GDAA COc1ccc(F)cc1C(=O)N[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1O 1565529120 ZHVCOIXPRIYKSR-HOTGVXAUSA-N 379.457 1.964 0 50 GDAA Cc1[nH]nc(C2CC2)c1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565511010 LSZIFCSBBWGHAL-HIFRSBDPSA-N 380.452 1.762 0 50 GDAA CCc1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)cc(O)n1 1565514164 PQDHZZLXWVUTEA-IRXDYDNUSA-N 385.420 1.415 0 50 GDAA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCc1cn3c(n1)SCC3)C2=O 274219879 BGTFVETUPRVDPC-GFCCVEGCSA-N 384.461 1.641 0 50 GDAA Cc1cc(NC(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)no1 275826785 VCMJKOXIDHPEFY-CYBMUJFWSA-N 375.433 1.283 0 50 GDAA O=C(O)[C@H](Cc1ccc2c(c1)OCCCO2)NS(=O)(=O)c1cccnc1 277305896 SLAGBQIPAJXVQI-AWEZNQCLSA-N 378.406 1.217 0 50 GDAA O=C(NCC(F)(F)F)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 170115091 LBHXCXPTIIHVDB-JTQLQIEISA-N 375.372 1.526 0 50 GDAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622932 XZQFBOLUEVYYBK-SECBINFHSA-N 389.355 1.920 0 50 GDAA O=C(c1cccnc1)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 171437114 NDPUSKMJTOUBDH-UHFFFAOYSA-N 380.383 1.400 0 50 GDAA O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN2CCCC[C@H]2C1 195060560 QSTXPEXQSANZLA-KRWDZBQOSA-N 392.525 1.179 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 1506406486 MQNCMSDEAUWPCO-KRWDZBQOSA-N 376.420 1.852 0 50 GDAA CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1NS(C)(=O)=O 219437153 DBKVRBSTBVFWNV-KGLIPLIRSA-N 380.919 1.534 0 50 GDAA Cc1c(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)sc2[nH]cnc(=O)c12 1529118914 PVQJBUKIJXHRBW-UKRRQHHQSA-N 385.445 1.868 0 50 GDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 1772710830 SXMAUTFHKGPEFX-WDEREUQCSA-N 378.372 1.969 0 50 GDAA CCN1CCN(CCOc2ccc(CN3CCOC[C@H](C(=O)O)C3)cc2)CC1 1772804567 RBKLITQIKQHTJP-LJQANCHMSA-N 391.512 1.236 0 50 GDAA O=C(CCCn1cncn1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(Cc2ncc[nH]2)CCO1 1857667143 LPLXLHZSEIWNIU-YRWFTTLQSA-N 399.499 1.206 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCc2cnccn2)cn1 1857694466 PDBVMICGRHLPSE-FPOVZHCZSA-N 398.511 1.597 0 50 GDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CCn1ccc(O)nc1=O)CC2 1857708673 GGOQNOXTYCUBHI-UHFFFAOYSA-N 393.447 1.367 0 50 GDAA CN1CCn2nc(C(=O)N3CCC4(CC3)Nc3ccccc3NC4=O)cc2C1=O 1857712206 TVHQFLBAFPQTJL-UHFFFAOYSA-N 394.435 1.008 0 50 GDAA OCCCn1nc(-c2c[nH]c3ccccc23)nc1-c1cn2c(n1)CCNCC2 1857718503 XEEPKMLPDGECIC-UHFFFAOYSA-N 377.452 1.818 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCc3noc(-c4ccccc4)n3)CC2=O)s1 1857727239 NNVMVSNPCABHBW-LBPRGKRZSA-N 384.421 1.566 0 50 GDAA O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875240283 PHDYYAGYEPMMJD-ICSRJNTNSA-N 383.448 1.493 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NC2CCCC2)CC[C@H]1NC(=O)CCn1cnnc1 1875250097 XJKPIPIBOYWDAM-CGTJXYLNSA-N 391.516 1.807 0 50 GDAA O=C1C[C@@]2(CCCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)C2)CN1 408252089 LUDHQIKRNYJBRY-YJYMSZOUSA-N 390.871 1.757 0 50 GDAA Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4[C@@H]5CCCC[C@@H]45)CC3)C2=O)n(C)n1 329509406 MGOGYCPXVQLVST-KURKYZTESA-N 399.539 1.804 0 50 GDAA CCC(CC)n1nc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C 377174986 DUKJIYVFUSBBRH-INIZCTEOSA-N 382.530 1.498 0 50 GDAA CC1(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4ccco4)CC3)[C@H]2O)CC1 1704311904 WJWDIWHGIJNQFQ-QFBILLFUSA-N 376.453 1.711 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc(Oc2ccccc2)nc1 1287343650 DEXDQYCYADCPKZ-UHFFFAOYSA-N 380.408 1.992 0 50 GDAA CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100070404 KPVNJWTUJVZBLZ-FUHWJXTLSA-N 393.399 1.993 0 50 GDAA Cn1c(CNC(=O)N2CC[C@](N)(c3ccccc3)C2)nc2ccccc2c1=O 2325766275 OZJLCMDGWVNFQH-OAQYLSRUSA-N 377.448 1.703 0 50 GDAA Cn1cc(CN)c(=NC(=O)c2cc3c(Br)cccc3c(O)n2)[nH]1 2325859675 GIOORNBXRUSCDD-UHFFFAOYSA-N 376.214 1.569 0 50 GDAA C=CC(=O)Nc1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)c1 2325885086 FKVZCPZKYPWVEC-OAHLLOKOSA-N 375.450 1.185 0 50 GDAA CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1 1082678 QWDVFZBRWAIGJF-YVLHZVERSA-N 394.456 1.365 0 50 GDAA 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396.325 1.550 0 50 GDAA CCn1cc(CN2CCC3(CC2)CN([C@@H]2CCNC(=O)CC2)CCO3)cn1 823603790 ZLBKJAXNHZGZGC-SFHVURJKSA-N 375.517 1.239 0 50 GDAA CCc1nnc(CN(C)C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)o1 584886325 USYUVDFHXXVIOU-UHFFFAOYSA-N 386.368 1.752 0 50 GDAA CCn1cc(CC(=O)N2CC[C@@]3(CCN(C(=O)c4sccc4C)C3)C2)nn1 1875357979 DUSKUJARZKJNBN-LJQANCHMSA-N 387.509 1.975 0 50 GDAA COC1CCC(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)CC1 1875398066 ZKCCQEZKYSVVKM-AQFXKWCLSA-N 375.517 1.921 0 50 GDAA O=C(N1CCOCC1)N1CCCC[C@@H]1c1n[nH]cc1I 1875340029 ITIUCAUVYZVOCY-LLVKDONJSA-N 390.225 1.994 0 50 GDAA CON1CCC(CC(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 1875313702 XJQFVRUJQMJADE-UHFFFAOYSA-N 381.454 1.040 0 50 GDAA CN(C)[C@H]1CNC[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1 1875349557 BOOYKYJOFXLVIJ-GOEBONIOSA-N 383.452 1.451 0 50 GDAA Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]2C[C@H](n3ccnn3)C2)CC1 1875281662 OMIHVTCJQWYDDR-KZNAEPCWSA-N 397.479 1.676 0 50 GDAA Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3ccns3)CC(=O)N2C(C)(C)C)cn1 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COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3ccccc3C)C2)nn1 14978817 AUYMVDFXRZLAFS-QGZVFWFLSA-N 385.468 1.369 0 50 GDAA O=C(NC[C@H]1CCCO1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169779289 SDLILPUFOWDBAM-MRXNPFEDSA-N 387.436 1.196 0 50 GDAA Cc1cc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)ncn1 1857720234 KKKOBPFRFQKABR-UHFFFAOYSA-N 382.468 1.602 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCCN(C2Cc3ccccc3C2)CC1 1875245662 KLMJGCUHKLGBFB-UHFFFAOYSA-N 379.508 1.344 0 50 GDAA Cc1cccn2ncc(C(=O)NCc3cnc4c(c3)CN(S(C)(=O)=O)CC4)c12 1875250302 NGVUOIUDQOWGQV-UHFFFAOYSA-N 399.476 1.285 0 50 GDAA O=S(=O)(c1ccc(Br)o1)N1CC[C@@H](CN2CCOCC2)C1 408214691 OROGOUPPFNEJLD-NSHDSACASA-N 379.276 1.385 0 50 GDAA COC1(c2nc(-c3cnccn3)no2)CCN(Cc2cccc(C(N)=O)c2)CC1 225839347 DXKQASDBHVSYRI-UHFFFAOYSA-N 394.435 1.763 0 50 GDAA COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(CCO)CC1 12420592 WHIDMTWHYCVVCH-UHFFFAOYSA-N 393.303 1.065 0 50 GDAA CCN1CCN(Cc2ccc(OC)cc2OC[C@H](O)CN2CCCC2)CC1 19838701 FOYMBLWSSRVRIU-LJQANCHMSA-N 377.529 1.668 0 50 GDAA Cc1ccnc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)n1 253480072 UUQKUOBYWZDTRL-SFTDATJTSA-N 381.524 1.585 0 50 GDAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1ccccc1-n1ccnc1 266475603 BNTDHHCTVFUOOL-RWQQGDIJSA-N 394.431 1.041 0 50 GDAA CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Br)cc1 1076711 BQNOJDRRBXUNNB-UHFFFAOYSA-N 379.174 1.839 0 50 GDAA CC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCn2ccnn2)C1 2100540808 QYVVHGHXXAKWLV-NRFANRHFSA-N 397.527 1.726 0 50 GDAA O=C(NCC1CN(C(=O)CCc2cccc(O)c2)C1)c1cnc2[nH]cnc2c1 2325869574 URJADSSLKBBFMZ-UHFFFAOYSA-N 379.420 1.485 0 50 GDAA Cc1[nH]ccc1C(=O)N1CC2(C[C@H](NC(=O)c3ccncc3F)c3nccn32)C1 2332237605 DEQWZFSHBNVHAR-INIZCTEOSA-N 394.410 1.780 0 50 GDAA C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC2(CN(C(=O)c3ncccc3F)C2)n2ccnc21 2332238033 VYOGHUBZZQXHMA-XPKDYRNWSA-N 399.426 1.255 0 50 GDAA COc1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC 849934 YYYXOVFWTJNBFR-UHFFFAOYSA-N 385.420 1.706 0 50 GDAA COCc1cc(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)[nH]n1 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O=C(CCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1)Nc1nncs1 71661783 RBYAHFWYBFDSDQ-CQSZACIVSA-N 378.429 1.866 0 50 GDAA CC1=C[C@H]2C(=O)NC(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)=N[C@H]2S1 71376048 DMUWYMHWFJDEFO-QFYYESIMSA-N 387.490 1.778 0 50 GDAA COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c[nH]1 447171939 MTVHMSZGJQJQHK-SNVBAGLBSA-N 385.392 1.637 0 50 GDAA COc1cncc(S(=O)(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 488519149 YSPCDHCGHUSSJR-GXFFZTMASA-N 381.376 1.310 0 50 GDAA COc1ccc(-c2noc(CCC(=O)N3CCOC[C@H]3c3noc(C)n3)n2)cc1 378611512 UGUXGDJXOMKTAR-HNNXBMFYSA-N 399.407 1.969 0 50 GDAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@H]1C(=O)NCCN1CC(C)C 72120652 FMOSAJHJMVSGBM-SFHVURJKSA-N 377.533 1.886 0 50 GDAA CN(C)c1ncccc1O[C@H]1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 289467592 YUJQXINIPJMCPF-IRXDYDNUSA-N 384.484 1.530 0 50 GDAA CCc1nn2c(nnc3c(=O)n(NC(=O)COC)ccc32)c1-c1ccccc1 40390829 JACRGBCTMCDNOV-UHFFFAOYSA-N 378.392 1.385 0 50 GDAA CN(C)C(=O)c1cncc(-c2ccc(C(=O)NCCCn3ccnn3)cc2)n1 426739698 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CCN(CC)C[C@@H](O)COc1ccc(CNCc2cnn(C)c2)cc1OC 11842647 ZOFKLXLGVFWAGV-GOSISDBHSA-N 376.501 1.800 0 50 GDAA COCCNC(=O)c1cn(C2CCN(C(=O)CCc3ccc(C)cc3)CC2)nn1 12213047 OFCHRNFCVRQJCC-UHFFFAOYSA-N 399.495 1.759 0 50 GDAA CN(CCCCN1CCOCC1)c1nc2nonc2nc1N1CCSCC1 15064107 NQVNOVNIRQFFMC-UHFFFAOYSA-N 393.517 1.115 0 50 GDAA CN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 15069776 UXPSMSFOQLNLOZ-SFHVURJKSA-N 376.476 1.070 0 50 GDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)sc1C 15076516 WPVVRAKBCPJNFO-KRWDZBQOSA-N 386.521 1.809 0 50 GDAA CN1CCN(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 16489457 YNDSUWZIZOHOHR-UHFFFAOYSA-N 378.523 1.730 0 50 GDAA O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 19877480 HCDXVMSPZKAKIN-KRWDZBQOSA-N 395.415 1.575 0 50 GDAA CC(C)(C)NC(=O)COc1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1 1857668994 HVEPFOWFJVQCCT-LAUBAEHRSA-N 376.497 1.811 0 50 GDAA Cn1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cc1=O 1857693600 DIUZKIWDYQOZQG-OAQYLSRUSA-N 380.448 1.879 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CCC(Cn4ccnc4)CC3)CC2=O)s1 1857720048 BQQNDSWHKQXHIN-CQSZACIVSA-N 388.497 1.589 0 50 GDAA c1cnc2c(CN3[C@H]4CC[C@@H]3C[C@]3(C4)CN(c4cnccn4)CCO3)cnn2c1 1857728494 DHMIUVSZQXSRAY-WGMWDUQUSA-N 391.479 1.922 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)N(C)CC3(CO)CCCC3)CC2=O)s1 1857729349 XBWZBHRKDLIRRW-CYBMUJFWSA-N 380.514 1.855 0 50 GDAA COc1ccccc1-c1noc(CCCC(=O)N2CC[C@H](CO)[C@H](O)C2)n1 1857739025 IZBLDMOBKQJRGX-UKRRQHHQSA-N 375.425 1.270 0 50 GDAA CC(=O)N1CCC[C@@]2(CCc3c(N(C)CC(N)=O)nc(-c4cccnc4)nc32)C1 1875248204 CSWRHFOZZFRDHX-OAQYLSRUSA-N 394.479 1.286 0 50 GDAA Cc1nc(C(=O)N[C@H]2CC[C@H](C(=O)N3CCC(F)(F)CC3)C[C@@H]2O)cs1 1875250830 KQQFMQICRBBFOE-OBJOEFQTSA-N 387.452 1.969 0 50 GDAA N[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 158229831 ITKGTAPLFIXJOD-CYBMUJFWSA-N 375.288 1.314 0 50 GDAA Cn1ccnc1N1CCC(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)CC1 834328156 HGPHUOFKYYHSDW-HNNXBMFYSA-N 385.493 1.773 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cnc(C)cc2C)cc1OC 2100534555 NKSZVZMFFSOAAI-UXHICEINSA-N 399.447 1.588 0 50 GDAA C=CC(=O)NCC(=O)N1CCC[C@@H](c2n[nH]cc2I)C1 2325787007 TZJSXILULYPZFB-SECBINFHSA-N 388.209 1.023 0 50 GDAA C[C@@H]1C=C[C@@H]2C(=O)N(C)C(=O)[C@H]2[C@H]1C(=O)NCC(=O)c1c(F)cccc1Cl 2325798302 IHWYTTGDVFUBBV-KTJYFRGRSA-N 392.814 1.831 0 50 GDAA O=C(c1nc(Br)n2ccccc12)N1Cc2nccn2C[C@@H](CO)C1 2325803378 CQFHQZGKUGBHSA-LLVKDONJSA-N 390.241 1.558 0 50 GDAA O=C(c1cccn2cnnc12)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356155646 LDVILTJSTBLBCS-OAQYLSRUSA-N 390.447 1.922 0 50 GDAA COc1ccc(NC(=S)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2851208 DSPJOVJPXJFQTL-UHFFFAOYSA-N 394.478 1.834 0 50 GDAA CN(C)c1ccc(-c2ccnc(N3CCc4c(c(C(N)=O)nn4C)C3)n2)cc1 2356165501 BQUSZRHJRVRLCY-UHFFFAOYSA-N 377.452 1.605 0 50 GDAA C[C@H]1CN(C2(C(=O)N[C@H]3CCCCNC3=O)Cc3ccccc3C2)C[C@@H](C)O1 20995307 UHUSWZPPRQPGNI-FCEWJHQRSA-N 385.508 1.418 0 50 GDAA O=C(NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C(C1CC1)C1CC1 120694712 IVNPDZDCDTUEBO-UHFFFAOYSA-N 383.436 1.400 0 50 GDAA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 328639285 WWFBSSKNMADGHU-CQSZACIVSA-N 387.465 1.822 0 50 GDAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 253428185 IMDSITPCEZKQOG-SQNIBIBYSA-N 388.512 1.819 0 50 GDAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cnccn4)CC3)nn2)nc1 72442036 PXPNDDCYVFGFFL-UHFFFAOYSA-N 376.424 1.676 0 50 GDAA CCCc1nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nn1-c1ccccc1F 173798601 FGADLODPIIDZBR-GFCCVEGCSA-N 395.460 1.123 0 50 GDAA Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c2cnn(C(C)C)c2n1 126007752 UQRXMKCSORQLBC-HNNXBMFYSA-N 398.511 1.746 0 50 GDAA C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCN(C(=O)c2ccccc2)C1 363265903 JXSFKKKWCXMEOM-JQVVWYNYSA-N 385.508 1.908 0 50 GDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@@H](C)[C@H]3CN)n2)cc1 237234907 SBRXDXBLPDQZFT-RDTXWAMCSA-N 387.484 1.800 0 50 GDAA Cc1nc(Cn2cc(C(=O)N3CCC[C@@H]3COc3ccc(F)cc3)nn2)no1 367275053 RFRQQXMETUOGIA-CQSZACIVSA-N 386.387 1.841 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)c1 77376036 FPXAIZHAALAYJQ-ZBPHCFQXSA-N 392.459 1.659 0 50 GDAA COC[C@@]1(C(=O)O)CCCN(C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 262977532 TZQNCYPSUDOETD-DNVCBOLYSA-N 378.400 1.518 0 50 GDAA CCN(CC)CCNC(=O)CC[C@@H]1CN(CC(C)C)CC[C@@H]1N1CCOCC1 1076082192 GAKVXTAIBMZHPL-RTWAWAEBSA-N 396.620 1.903 0 50 GDAA COc1cc(CNC(=O)[C@H]2CC3(CCNCC3)CN2C)cc(OC)c1OC 72469919 YNPFILIHMFAAIS-OAHLLOKOSA-N 377.485 1.403 0 50 GDAA CO[C@H]1[C@H](NC(=O)c2nc3ncccn3n2)c2ccccc2C12CCNCC2 72408024 XVHMWGPISYPXFT-CVEARBPZSA-N 378.436 1.245 0 50 GDAA Cc1nn2c(nnc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccccc1 40391091 TWOZJBYRCAIPQA-UHFFFAOYSA-N 390.447 1.747 0 50 GDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCOCC1 136662874 MQOXBHJVHHVPJA-VMXHOPILSA-N 382.460 1.488 0 50 GDAA Cc1c(C(N)=O)sc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1C(=O)OC(C)C 17081301 QAYXIELJSVMRDR-PHIMTYICSA-N 397.497 1.768 0 50 GDAA O=C(Cn1cnc2sccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225411190 XZRFMEFFYCJWRO-OLZOCXBDSA-N 382.445 1.266 0 50 GDAA biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 426477820 AZYBPOMNMONCNL-CYBMUJFWSA-N 380.445 1.778 0 50 GDAA Cc1n[nH]c(C)c1[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C(=O)O 95516630 ZXAWSQFSXLIFQF-MRXNPFEDSA-N 376.457 1.697 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cn1 426545372 RAQDHLKXIPROQT-IBGZPJMESA-N 386.496 1.364 0 50 GDAA CNC(=O)c1ccc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)o1 95360869 BURWUIDRYHDPSV-FOIQADDNSA-N 390.484 1.114 0 50 GDAA CS(=O)(=O)CC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 237318736 NDAOUZWUOORBGR-SMDDNHRTSA-N 395.308 1.735 0 50 GDAA CNC(=O)c1cccnc1N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95355895 PZOMZLAJBABHDF-AWEZNQCLSA-N 380.456 1.199 0 50 GDAA O=C1C[C@H](C(=O)O)C2(CCN(C3CCN(c4ccccc4F)CC3)CC2)N1 95392291 GQEAQKCSLFKUCO-OAHLLOKOSA-N 375.444 1.850 0 50 GDAA CSCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91473964 GCOZHDPRRQGWLL-MRXNPFEDSA-N 394.541 1.297 0 50 GDAA CCc1n[nH]c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)c1C 91289186 HQKZZLGCOVEIJH-ZBFHGGJFSA-N 378.473 1.308 0 50 GDAA CN(C)C(=O)NCC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91473805 ALHYUHJCEJLNFE-UHFFFAOYSA-N 387.484 1.084 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccc(-n2cccn2)cc1 244708360 KSJGDFNNLFLAPJ-WOJBJXKFSA-N 377.448 1.633 0 50 GDAA COC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 526056111 VWOBFJMDKYIOJN-XMTFNYHQSA-N 380.400 1.687 0 50 GDAA O=C(c1ccc(-c2cnn(CCO)c2)cc1)N1CCN(c2ccncc2)CC1 534639459 CKRKGIWXQLAEGF-UHFFFAOYSA-N 377.448 1.900 0 50 GDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cn2cccnc2n1 828197437 OTKWSGLFSHXIBL-COFLGROHSA-N 388.475 1.027 0 50 GDAA Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)o1 825268478 HLNQZPOHALUANI-AWEZNQCLSA-N 378.454 1.517 0 50 GDAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 828925150 BYSRMLLNADSTNB-CQSZACIVSA-N 392.419 1.284 0 50 GDAA O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCC2(C1)[C@@H](O)C[C@@H]2O 1875310395 OPQSOUMMZJMLMZ-KBPBESRZSA-N 387.402 1.515 0 50 GDAA COc1nc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)ccc1C 1875400264 VKLCMBUFZWDSMF-QGZVFWFLSA-N 398.511 1.876 0 50 GDAA COc1cccc([C@@H](CNC(=O)c2cnn3c2C(=O)NCC3)N2CCCC2)c1 1875292573 MKNNAPUMECQMRC-QGZVFWFLSA-N 383.452 1.202 0 50 GDAA O=C(Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1)[C@@H]1CCCS(=O)(=O)C1 1875299658 RDEYMKIFYJXAJO-CYBMUJFWSA-N 396.415 1.938 0 50 GDAA O=C(N=c1cc2n([nH]1)CCC2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1875274595 LJOCVQOUBFQTDL-MRXNPFEDSA-N 388.493 1.432 0 50 GDAA CCn1nccc1CN(CCO)C(=O)C(=O)NCc1ccc2ccccc2c1 1875253656 XOAKVMGIFRLJGV-UHFFFAOYSA-N 380.448 1.694 0 50 GDAA COc1nscc1S(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2c1ocnc1C(=O)N(C)C 1875393812 UEFKTLCSESSFRK-WCABBAIRSA-N 398.466 1.018 0 50 GDAA CCCn1cc(C(=O)NC[C@H]2CCCN(c3ccc(C(=O)O)nn3)C2)c(C)n1 952970019 HAJMFIBTPGHFHA-CQSZACIVSA-N 386.456 1.736 0 50 GDAA Cc1nonc1CC(=O)N1CCC[C@H](CNC(=O)c2cnc3ccccc3n2)C1 952861912 LOCAGJQONRGHKJ-CQSZACIVSA-N 394.435 1.532 0 50 GDAA COCC1CCN(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 952972037 WGJXPIMTLFGVPV-INIZCTEOSA-N 387.546 1.313 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CCNS(C)(=O)=O)CC2 276432845 LVZUVBAORWJIFN-MRXNPFEDSA-N 385.555 1.500 0 50 GDAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@H](c2ccsc2)[C@@H](CO)C1 188875886 TYAHHBICUQCPTQ-RHSMWYFYSA-N 397.522 1.693 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(N3C[C@H]4[C@H](N)CC[C@H]4C3)CC2)cc1 221910718 JKXBXHSPRKPFRZ-GDIGMMSISA-N 379.526 1.517 0 50 GDAA COc1cc(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)cc2c1O[C@H](C)C2 777361063 WJFHLSRXVDJTRW-SNVBAGLBSA-N 384.392 1.458 0 50 GDAA Cc1cc(=O)c(C(=O)NC[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)cn1C 1506408222 WBMYKQUHRAVXKZ-CYBMUJFWSA-N 381.440 1.006 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c1 1772712505 SWNGPOIPMNOGCS-HNNXBMFYSA-N 390.461 1.436 0 50 GDAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(CO)C1 1772811034 NFHGCPQQYJYMGF-PGRDOPGGSA-N 392.459 1.652 0 50 GDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 16652490 HIGNQBXLFFGSGE-UHFFFAOYSA-N 396.509 1.572 0 50 GDAA CCOC(C)(C)C(=O)N1CC2(CN(C)C[C@H]2c2ccnc(N3CCCC3)n2)C1 1857533111 LPCSHNJXSGRYBV-INIZCTEOSA-N 387.528 1.750 0 50 GDAA COCCn1cnnc1CCn1ccnc1-c1cc2c(cc1OC)OCCO2 1857684993 MUIUHVZQEWMPRE-UHFFFAOYSA-N 385.424 1.811 0 50 GDAA O=C(Cc1ccc(CO)cc1)N1CC[C@]2(CN(Cc3nccs3)CCO2)C1 1857696032 IXFMHOGQCFKJGD-FQEVSTJZSA-N 387.505 1.681 0 50 GDAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)c(=O)n1C 1857706502 WDYXQDYMAGIGMV-NRFANRHFSA-N 397.479 1.376 0 50 GDAA CCN(CC)CC(=O)NC[C@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@]23CC[C@H]1O3 1857715853 LLIJITFWLFEAGS-XKGFGPFHSA-N 375.513 1.417 0 50 GDAA N=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)CCC(F)(F)F)[C@H]4CC[C@]3(C2)O4)[nH]1 1857717979 JBYIVUQTUKMJQO-XSUJLISDSA-N 385.390 1.332 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCCOC3CCCC3)CC2=O)s1 1857718759 RQWATYZASBAFQF-LBPRGKRZSA-N 382.486 1.503 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)N3CCN(c4cccnc4)CC3)CC2=O)s1 1857719113 DOJDWCGXAMLLFY-CYBMUJFWSA-N 386.481 1.197 0 50 GDAA CC(C)NC(=O)N1C[C@@H]2[C@H](CNC(=O)COc3ccccc3)[C@H]3CC[C@]2(C1)O3 1857736063 JECDZLMFQQDOOY-XKGFGPFHSA-N 387.480 1.779 0 50 GDAA O=C1[C@@H](n2cnc3c(cnn3-c3ccccc3)c2=O)CCN1CC(F)(F)F 118170307 FIPVKXZSRLMVHF-ZDUSSCGKSA-N 377.326 1.918 0 50 GDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)cc(OC)c1 11818084 LZOPCDNTJODAGV-KRWDZBQOSA-N 395.525 1.264 0 50 GDAA COc1ccc(NC(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)c(OC)c1 11905708 GKDXKLFBBIGGCJ-UHFFFAOYSA-N 379.438 1.361 0 50 GDAA O=C(NCCn1cc(C(=O)NCc2ccccn2)nn1)c1cccc(Cl)c1 11911100 MGYPDLZVNAIAJN-UHFFFAOYSA-N 384.827 1.687 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 252536913 JUIGHOYHDGZDIX-FVINQWEUSA-N 396.328 1.847 0 50 GDAA COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc(C(=O)OC)c1 266653838 ZJOQBQARDIPEEM-CVEARBPZSA-N 375.425 1.960 0 50 GDAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 818321581 YCHFWRXVLLNPPE-CRAIPNDOSA-N 397.435 1.286 0 50 GDAA COCCOc1ccnc(NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)n1 839447999 PDJLURUHWHBYNS-UHFFFAOYSA-N 394.334 1.459 0 50 GDAA COC(=O)c1ccc(OC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 705351 IZNBDHQRQMLZKM-UHFFFAOYSA-N 397.339 1.218 0 50 GDAA O=C1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)C(=O)N1 1857798276 YQYJSNSLOSTYTB-OAHLLOKOSA-N 395.346 1.161 0 50 GDAA CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CCS(=O)(=O)[C@H](C)C2)cn1 2325786608 HINYRVNQJQPCCA-CHWSQXEVSA-N 379.486 1.247 0 50 GDAA CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325897721 FWIPJUOUMAJMAS-CZUORRHYSA-N 397.431 1.493 0 50 GDAA O=S1(=O)CC[C@@H](N(Cc2cnn(-c3ccccc3)n2)C[C@H]2CCCO2)C1 109762632 OWSFLUGGLZQTDB-QZTJIDSGSA-N 376.482 1.435 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 1146761 VEJLQLKDIGYWLD-UHFFFAOYSA-N 391.449 1.725 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1 2851777 FFBNFTDFWCIIGN-UHFFFAOYSA-N 379.413 1.492 0 50 GDAA COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 4512143 ZMONCEASWFXBDN-UHFFFAOYSA-N 392.433 1.556 0 50 GDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 5399417 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CCn1cnnc1CN(C)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 223267653 RRXSJLREDYGFMY-UHFFFAOYSA-N 376.482 1.782 0 50 GDAA O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1Cc1ccco1 230277537 LZQCZNAGXAVXAF-PMPSAXMXSA-N 381.432 1.436 0 50 GDAA biogenic COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cccc(OC(F)F)c2)c1O 253623701 ICUXCEXKKJPOAS-JTQLQIEISA-N 382.319 1.888 0 50 GDAA Cn1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)c1=O 262609419 AYJPMBVFYHVSOV-MRXNPFEDSA-N 383.404 1.717 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(F)cc1 299751769 RQLQIWZDKLHVJR-YOEHRIQHSA-N 385.395 1.901 0 50 GDAA COc1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)c1OCCCN 299758179 ORTSUWYGHXQQGP-UHFFFAOYSA-N 375.391 1.743 0 50 GDAA COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCCCn4nnnc43)cn2)c1 299758790 PLOSJRPTSSYRFD-KRWDZBQOSA-N 381.440 1.794 0 50 GDAA Cc1cscc1C(=O)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328607786 XDGVZVFFVCTNFH-OAHLLOKOSA-N 388.493 1.927 0 50 GDAA O=S(=O)(N[C@@H]1CCCN(CCN2C[C@@H]3CC[C@H](C2)O3)C1)c1cccc(F)c1 329347077 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O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)n1 426635363 LETOALFRPQMKRE-GOSISDBHSA-N 382.464 1.732 0 50 GDAA COC(=O)c1ccc(CNC(=O)CSc2nnc(C3CCNCC3)n2C)o1 426510092 KIZHQNPYKGDWEJ-UHFFFAOYSA-N 393.469 1.070 0 50 GDAA Cc1ncc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c(-c2ccccc2)n1 426623117 VOZJZVKZLLRGTD-UHFFFAOYSA-N 392.463 1.474 0 50 GDAA CCSCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 91649707 GOKORDHGNPZESY-UHFFFAOYSA-N 380.514 1.402 0 50 GDAA Cn1cnc(S(=O)(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1 91746598 JEFRBIPHPWQVBR-SFHVURJKSA-N 380.514 1.756 0 50 GDAA CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1 95355642 NPTHXVVLPYKUND-WMLDXEAASA-N 379.482 1.232 0 50 GDAA CCc1ncc2c(n1)CN(C(=O)NC[C@@H](c1ccccn1)N1CCOCC1)C2 426525948 MFMGQOLIUXCFES-SFHVURJKSA-N 382.468 1.533 0 50 GDAA CCN1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1=O 95519657 MUYOXJHKOQLMLE-GOSISDBHSA-N 393.553 1.139 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91713986 JIUUZXBMBSCJIP-UHFFFAOYSA-N 397.483 1.198 0 50 GDAA 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399.447 1.963 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3cc(-n4cccn4)ncn3)C1)CC2 1857700838 IQXCPUOPUQHQQL-FQEVSTJZSA-N 392.467 1.708 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 1857709761 QABFIMPTQWLYOK-HNNXBMFYSA-N 381.436 1.003 0 50 GDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 1857736428 OKWUVUCTAAFYPA-UHFFFAOYSA-N 391.435 1.587 0 50 GDAA C[C@H]1Oc2ccccc2N(CC(=O)NC2CCN(c3nccn3C)CC2)C1=O 365459113 LNOIUTMMCOWJRW-CQSZACIVSA-N 383.452 1.319 0 50 GDAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cn1C 378085560 HVGDODVAZWMOPZ-HNNXBMFYSA-N 384.436 1.684 0 50 GDAA COC(=O)CN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325726467 CCINONGZAPUSDC-UHFFFAOYSA-N 395.415 1.346 0 50 GDAA CCN1C(=O)c2ccc(C(=O)NN3CC[C@@H](C(F)(F)F)C3)cc2S1(=O)=O 2325727221 SPNYFHPBSNYZAA-SNVBAGLBSA-N 391.371 1.380 0 50 GDAA O=C(NCc1ccn(-c2c(F)cccc2F)n1)c1cn([C@H]2CCCNC2)nn1 2325769032 BEOPOTJZPJZQLK-ZDUSSCGKSA-N 387.394 1.597 0 50 GDAA CN(C)CCn1cc(C(=O)N=c2cc3n([nH]2)CCN(C)C3=O)c2ccccc21 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CS(=O)(=O)Nc1cccc(CN2C(=O)N[C@H](c3cccc(O)c3)C2=O)c1 349209190 OVQGWNCPXCOWPF-OAHLLOKOSA-N 375.406 1.557 0 50 GDAA CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67714849 NWUIOBRHKSIIFI-CYBMUJFWSA-N 380.445 1.471 0 50 GDAA COC(=O)c1nn(CN2CCN(C)C[C@H]2c2ccccc2)c(=O)c2noc(C)c12 252463500 DOQLIZAGIDDFOL-HNNXBMFYSA-N 397.435 1.426 0 50 GDAA O=C(NCCOc1ccccc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20418611 YKODOSWCUPFFSV-SFHVURJKSA-N 389.496 1.143 0 50 GDAA CC(C)N1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)CC1=O 236617855 PQCTXVCKZUEFBO-LRDDRELGSA-N 375.400 1.676 0 50 GDAA Cn1cc(N2CCC[C@H](NC(=O)CN3CCN(Cc4ccccc4)CC3)C2)cn1 151528088 VZSGLYURPISBTF-FQEVSTJZSA-N 396.539 1.323 0 50 GDAA C=CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 1329142658 YOYVKHNPNQHIRX-UHFFFAOYSA-N 385.873 1.707 0 50 GDAA COc1cccc(CN2CCC3(CC2)CN(C)C(=O)O3)c1O[C@@H](C)C(=O)O 72476565 LSXQPTAEUJPART-ZDUSSCGKSA-N 378.425 1.964 0 50 GDAA CC(C)=CCN1CCN(C(=O)c2ccc(C)c(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72432168 PPQNNNITJVVRBX-SJORKVTESA-N 378.494 1.590 0 50 GDAA NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 173750954 DWEATQYPDVLTJU-MRXNPFEDSA-N 386.473 1.650 0 50 GDAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1CCCN1C(=O)c1ccccc1O 363618600 QDUWWVYVUSWUGP-QGZVFWFLSA-N 391.431 1.894 0 50 GDAA Cc1ccccc1NC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72115550 RTMQPWKVJPFPKB-UHFFFAOYSA-N 382.468 1.976 0 50 GDAA COC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71388612 CAWIAXAAUBXTJP-SFHVURJKSA-N 388.512 1.389 0 50 GDAA CC[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262369026 FSZDKDLHUFMFLP-CHWSQXEVSA-N 379.804 1.257 0 50 GDAA COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1ccc(C)cc1 32537424 UXOKTEAMMBRGAZ-QZTJIDSGSA-N 391.489 1.830 0 50 GDAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1nnc2ccccn12 241588172 PAJYQOLFCZJPON-JKSUJKDBSA-N 385.468 1.810 0 50 GDAA Cc1nnc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)o1 71388514 GEKCIILZLLNSHX-OAHLLOKOSA-N 375.473 1.107 0 50 GDAA NC(=O)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc(F)cc1 132633911 PPVPDRUSKVONLO-IBGZPJMESA-N 380.379 1.392 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cc1 215988629 UCRRTEUMXVWCLN-UHFFFAOYSA-N 389.423 1.342 0 50 GDAA O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCc2ccccn2)C1 289086047 HXKKHQPBLVVNPT-GOSISDBHSA-N 389.477 1.955 0 50 GDAA CC(=O)N1CCCn2nc(CNC(=O)[C@H](c3cccc(F)c3)N(C)C)cc2C1 82097664 OTVUBPXUPVZPKT-IBGZPJMESA-N 387.459 1.694 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1 20028703 CXXVUKXKPOFXDB-INIZCTEOSA-N 383.489 1.142 0 50 GDAA Cc1c(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cnn1CC(C)C 162024209 ANPYLKPJHWMWPK-UHFFFAOYSA-N 398.511 1.874 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3ccc(N)nc3)c2)CC1 426361640 CUVKEXAYISADGS-UHFFFAOYSA-N 376.464 2.022 0 50 GDAA CN(CCO)C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccc2Cl)C[C@@H]1CO 91932471 VBNLPBTVSUKYQT-HUUCEWRRSA-N 392.887 1.130 0 50 GDAA CSCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)o1 91747017 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GDAA CCc1noc(CCNC(=O)[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)C2)n1 72425147 WZZTZFANVDFTPK-UONOGXRCSA-N 392.481 1.438 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CN1Cc1ccccn1 72462872 FGSWEWGBDOKRRQ-OAQYLSRUSA-N 380.448 1.815 0 50 GDAA O=C(NS(=O)(=O)C[C@H]1CCOC1)c1cnc(Cc2ccc(F)cc2)s1 157894029 TYKSXKFOKGQUAA-LBPRGKRZSA-N 384.454 1.969 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)OCCCn2nc3ccccn3c2=O)cc1 133792617 XDQZIUZCBZSMNH-UHFFFAOYSA-N 380.404 1.545 0 50 GDAA O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC(C(=O)N2CCCC2)CC1 426531056 VZGVHEVNFSVTRN-KRWDZBQOSA-N 389.452 1.432 0 50 GDAA Nc1nc(O)cc(-c2ccc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)cc2)n1 426701743 WMFUWUHOGIELHC-INIZCTEOSA-N 384.436 1.578 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ncc(Cl)cn2)c1 426552421 YQJCUCXLRCVJJD-INIZCTEOSA-N 387.871 1.445 0 50 GDAA O=C1C[C@@H](C(=O)O)C2(CCN(CCCOc3ccc(C(=O)O)cc3)CC2)N1 95356180 CDXRERRELAAOFU-HNNXBMFYSA-N 376.409 1.209 0 50 GDAA CCC[C@@H]1C=CCN1C(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 97743046 HPGFASXZTKIEBI-QGZVFWFLSA-N 377.510 1.851 0 50 GDAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCN(c2ccccc2)C(=O)C1 91585565 YHDLHHICLKQKAM-UHFFFAOYSA-N 375.388 1.733 0 50 GDAA CCS(=O)(=O)CC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1 95503438 UHJMHLMFXQFPAH-UHFFFAOYSA-N 384.517 1.973 0 50 GDAA NC(=O)c1ccc(OCCCN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 244852995 VDGSOAFKAWVPBA-KRWDZBQOSA-N 375.469 1.125 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)N(C)Cc2ccon2)CC[C@H]1NC(=O)c1cnc[nH]1 1940193495 FPNJGRJCXQRPEG-YSVLISHTSA-N 389.456 1.750 0 50 GDAA O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC23CC3)CC1)C1CCS(=O)(=O)CC1 1875341825 JQMPCQOLKNNMOZ-ZOBUZTSGSA-N 396.553 1.650 0 50 GDAA COc1cccc(N2CCN(C(=O)CSc3nncn3C)[C@H](C)C2=O)c1 952980678 QWQSLXVSPLICCD-GFCCVEGCSA-N 375.454 1.180 0 50 GDAA CN1C(=O)CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)[C@@H]1c1cnn(C)c1 268907221 NYNRZZOSUMTYAU-AYBZRNKSSA-N 398.463 1.389 0 50 GDAA COc1ccc(CN2CCC(N3C(=O)N[C@@H]4CN(C(C)=O)CC[C@@H]43)CC2)cc1 888103634 QUGNPSCTUGHPGK-UXHICEINSA-N 386.496 1.674 0 50 GDAA COc1cc(C(=O)N[C@H]2CN(C(=O)C=C(C)C)CC[C@@H]2C(F)(F)F)nn1C 1775989163 FQUSRBLZKCZHCA-AAEUAGOBSA-N 388.390 1.904 0 50 GDAA CSc1ncccc1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1565516715 ORGGYZJBUXLJPO-JSGCOSHPSA-N 376.438 1.105 0 50 GDAA CO[C@@H](C)c1noc(CN2CCC[C@H](c3[nH]ncc3CN3CCOCC3)C2)n1 275528317 CACOUNGTJLNFBN-GJZGRUSLSA-N 390.488 1.712 0 50 GDAA CC(C)COc1ncccc1C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 276252300 FVRABXOVVLITFL-HNNXBMFYSA-N 384.484 1.835 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@H](C(N)=O)C(C)C)ccc1F 1704332524 ZGBGARNQCPMTEM-AWEZNQCLSA-N 378.404 1.795 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2C[C@H](O)[C@@H](OC)C2)ccc1F 1704307043 RJTPBOBNSHJRST-JSGCOSHPSA-N 379.388 1.387 0 50 GDAA Cc1noc(C)c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@]2(CO)C1 1772811727 XLSZBEHPUIKZIU-YCRPNKLZSA-N 393.447 1.806 0 50 GDAA CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OCC 12208193 OWFDWVFSMRXGQQ-KRWDZBQOSA-N 377.485 1.319 0 50 GDAA O=C1CN(C(=O)c2ccc([C@H]3CCCN3Cc3ccc(CO)o3)s2)CCN1 19145497 HVTBFBSTFJRDPL-OAHLLOKOSA-N 389.477 1.743 0 50 GDAA Cn1c(CN2CCOCC2)nnc1SCC(=O)N1CCc2ccccc2C1 19201492 MJZXYJOOYMTSGQ-UHFFFAOYSA-N 387.509 1.324 0 50 GDAA O=C(N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccnc(-n2cccn2)c1 1857531244 VVXFVTCDGXNNJV-KCXAZCMYSA-N 386.843 1.687 0 50 GDAA Cn1cc(-n2nc(CC(N)=O)nc2CCCc2nc3ccccc3s2)cn1 1857678984 OYTRBEIUXLDNPZ-UHFFFAOYSA-N 381.465 1.814 0 50 GDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccsc1 1857685106 CDPVYGSVLFXBGX-SFHVURJKSA-N 391.537 1.827 0 50 GDAA Cc1ccc2cc(-c3nccn3C[C@]3(O)CCNC3)c(N3CCOCC3)nc2c1 1857698522 VYJSRLWAVQSHNU-QFIPXVFZSA-N 393.491 1.968 0 50 GDAA CSCCC(=O)N1CCC[C@@]2(CN(CC(=O)NC(C)(C)C)CC[C@H]2O)C1 1857704276 LOCQFKIRKMBIGD-DNVCBOLYSA-N 385.574 1.330 0 50 GDAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccccc2Cl)C1 1857704300 MVCXUMMZGJDTAS-YOEHRIQHSA-N 385.917 1.502 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2scc3c2OCCO3)[C@H]1c1cnn(C)c1 1857714859 PNBHEKPNICKMJY-ZFWWWQNUSA-N 392.481 1.397 0 50 GDAA CC(C)Cc1nc2ccc(C(=O)N3CC[C@H](O)[C@H](CO)C3)cc2n1CCCN 1857715133 CXYYDRUQTNPCAW-LPHOPBHVSA-N 388.512 1.399 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)[C@H]1c1cnn(C)c1 1857715169 FQNHCFGFVWFNKL-ROUUACIJSA-N 395.467 1.349 0 50 GDAA O=C1CN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CCN1CCc1ccccc1 1857715453 RYSQHYYTGLMBOZ-MRXNPFEDSA-N 398.488 1.410 0 50 GDAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnccc3C)[C@H]3CC[C@]2(C1)O3 1857716774 SGDPXVONVQMNDX-WFXMFSGNSA-N 375.494 1.489 0 50 GDAA O=C(NCCc1noc(C2CCCC2)n1)[C@@H]1CC(=O)N(c2nccs2)C1 1857736546 MFKARGHNOALXRE-GFCCVEGCSA-N 375.454 1.896 0 50 GDAA COc1ncccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1875244946 CGCUQZIOSPPFTF-OALUTQOASA-N 399.495 1.892 0 50 GDAA CCn1nc(C)cc1C(=O)N=c1nc2nccc(-c3ccc(OC)cc3)n2[nH]1 1875250466 AZRNBNAGDXDEDV-UHFFFAOYSA-N 377.408 1.999 0 50 GDAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 157950195 SDIZHJHMPYZXCF-CABCVRRESA-N 394.422 1.769 0 50 GDAA CON1CCC(CC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 831628218 BXEIUSZRKDOKKA-UHFFFAOYSA-N 376.457 1.214 0 50 GDAA CN(C)Cc1ccc(CN(C)C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 843784271 HBWQCPLDOMXQEK-GOSISDBHSA-N 388.493 1.437 0 50 GDAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC[C@@H]1CCCO1 798669 WOWAHJWLJOANHU-KRWDZBQOSA-N 396.509 1.972 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 2770732 OQGRABSXOHGUNG-OAHLLOKOSA-N 380.491 1.770 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 4044192 QUSPUJJUTGSQHE-IKVWTGGYSA-N 391.464 1.919 0 50 GDAA COC(=O)[C@@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)[C@@H](C)O 4764540 UPFPFFPYKVHUSP-YUELXQCFSA-N 398.481 1.073 0 50 GDAA CN1CCC(N2CCC[C@@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)CC1 11843435 LZKIFZJBPZACEG-GOSISDBHSA-N 384.524 1.707 0 50 GDAA CCc1c(-c2ccccc2)n(CCCOC)c2nc3c(c(=O)n(C)c(=O)n3C)n12 12413148 OLDFWLJRFDSHGJ-UHFFFAOYSA-N 395.463 1.952 0 50 GDAA biogenic CC(=O)Nc1ccc2nc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc2c1 12430637 UQTVKVFKLKEATJ-FGZHOGPDSA-N 398.507 1.585 0 50 GDAA O=C(NCc1cccs1)c1cn(CCNC(=O)[C@@H]2Cc3ccccc3O2)nn1 14999082 GASZKOGYRLWQRP-KRWDZBQOSA-N 397.460 1.390 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cccnc1 15072296 PYZQXTVLCZHDIB-LJQANCHMSA-N 396.491 1.530 0 50 GDAA COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)cc1)C3 19821197 WFMTYWBEEBZPKS-CYBMUJFWSA-N 395.415 1.653 0 50 GDAA CC1=NN(c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)C(=O)C1 21984230 FDUGPNDWCQRTAP-UHFFFAOYSA-N 384.391 1.446 0 50 GDAA CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@@H]2CC(=O)OC)c(C)o1 39362532 KWCJEQJMZYUUPR-INIZCTEOSA-N 387.436 1.912 0 50 GDAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 55060556 VSSYASBZFQJUBE-IBGZPJMESA-N 382.464 1.319 0 50 GDAA COCCN1C[C@H](CNc2nc(CCN)nc3sc(C)c(C)c23)CC1=O 65380893 ZIEKIGRNYCDXKE-ZDUSSCGKSA-N 377.514 1.716 0 50 GDAA COc1ccccc1CNC(=O)CN1CCCn2nc(CCC(=O)O)cc2C1 72432433 GNUKSESBLSDDJL-UHFFFAOYSA-N 386.452 1.431 0 50 GDAA CN(C)C(=O)CCN1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77343825 XGNUPNZPSMKMSB-UHFFFAOYSA-N 375.469 1.831 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cc1ccsc1)CC2 82121872 LNZUGVYHFDWVNR-UHFFFAOYSA-N 385.493 1.943 0 50 GDAA CN(C)c1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1 91536883 NYWVTUNVHMKMOL-UHFFFAOYSA-N 381.488 1.296 0 50 GDAA CN(CCO)C[C@@H]1CN(C(=O)Cc2ccc3[nH]c4ccccc4c3c2)C[C@@H]1CO 92062182 OBDAHSRLSPMJCS-QZTJIDSGSA-N 395.503 1.855 0 50 GDAA Cn1ccnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 92065265 PPMAOAJHOMPTEF-UHFFFAOYSA-N 382.468 1.460 0 50 GDAA COC1CCN(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)CC1 95358016 QAROHDIUNVWHKU-INIZCTEOSA-N 382.482 1.920 0 50 GDAA CN(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cc1 95367008 VUCWDFRUMVLHDM-MAUKXSAKSA-N 379.464 1.919 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 95521051 DXNNRXRHZQDNQC-INIZCTEOSA-N 378.436 1.778 0 50 GDAA CC(C)(C(=O)O)c1cnc(N2CCC(CCO)CC2)nc1N1CCOCC1 96162503 DLWRJDKDYVSAMZ-UHFFFAOYSA-N 378.473 1.274 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)c1 97696352 LDRSAVOHMKHQOR-LBPRGKRZSA-N 377.319 1.902 0 50 GDAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 175321069 OWUDAJNHGWWBTF-JTQLQIEISA-N 395.872 1.956 0 50 GDAA NC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C1CCCCC1 176801424 QSEUCHHCZUFGHA-OAHLLOKOSA-N 383.452 1.525 0 50 GDAA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 180796512 VDBVXZSCPRRELV-MEBBXXQBSA-N 394.834 1.647 0 50 GDAA O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc2nncn2c1 189294222 ATVJDDCSSAYFQT-MRXNPFEDSA-N 385.374 1.929 0 50 GDAA O=C(c1ccn([C@@H]2CCCNC2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 262817935 QUPZGTWBDSZWSJ-MRXNPFEDSA-N 394.479 1.928 0 50 GDAA COc1cc2nc(N[C@H]3CCN(c4cnn(C)c4)C3=O)nc(N)c2cc1OC 265496707 WXRMFUAGZMIZLU-LBPRGKRZSA-N 383.412 1.180 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2=O)n(C)n1 266426572 QZTSDJIVSONCCJ-HNNXBMFYSA-N 383.456 1.044 0 50 GDAA CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1=O 267225796 BNRPSFFLXJYGCX-GOEBONIOSA-N 386.452 1.583 0 50 GDAA C[C@@H](O)C[C@@H]1CCCN1C(=O)c1sccc1S(=O)(=O)N1CCOCC1 269865982 DVPHUTOUIJNKTG-OLZOCXBDSA-N 388.511 1.145 0 50 GDAA CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 273688070 IGGNTWJOHCNYOH-UHFFFAOYSA-N 394.371 1.822 0 50 GDAA CC1(C)CC(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC(C)(C)N1 334161907 KRWUXOHRBTXQHH-INIZCTEOSA-N 386.496 1.943 0 50 GDAA CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC3(CCN(C)C3=O)CC2)C1 373885194 ZYHHHOPVMJTYCO-QGZVFWFLSA-N 392.544 1.925 0 50 GDAA O=C(CCc1ccc2c(c1)OCCO2)N1CCS(=O)(=O)C[C@@H]1C1CCC1 413893196 GTXUNIBXIJJBQT-MRXNPFEDSA-N 379.478 1.816 0 50 GDAA Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCNC3)C2)nn1-c1ccccc1 415823642 TYTNLISKONLBKW-DLBZAZTESA-N 381.480 1.967 0 50 GDAA Cc1c(-c2cc(C(=O)NC[C@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)cnn1C 426683802 LHDRISUHDWYVFL-CQSZACIVSA-N 378.436 1.902 0 50 GDAA CNC(=O)[C@]1(C)CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)C1 435975401 SKVDYQCSIYCUDS-MRXNPFEDSA-N 384.358 1.902 0 50 GDAA CCCS(=O)(=O)Nc1ccc(NC(=O)Cn2c(C)cc(C)nc2=O)c(F)c1 456233091 PCCGAKSTACBYGX-UHFFFAOYSA-N 396.444 1.790 0 50 GDAA O=C(NCc1cnc2c(c1)CCC2)N1CCN(c2ccc3nccn3n2)CC1 584893340 MAMVFRSFQCHMSE-UHFFFAOYSA-N 377.452 1.645 0 50 GDAA CCOc1cc(S(=O)(=O)NCCN2CCC[C@H](CO)C2)ccc1Cl 670457716 YNILYMRRVUGDCM-ZDUSSCGKSA-N 376.906 1.721 0 50 GDAA Cc1ocnc1C(=O)N1CCC[C@@H](CNC(=O)CCn2c(C)cccc2=O)C1 827823027 HFSJGKLUYPBKDV-INIZCTEOSA-N 386.452 1.512 0 50 GDAA CCn1cnc2c(c1=O)CCN(C(=O)c1ccc3c(c1)nc(O)n3C1CC1)C2 888100963 GZBNFMOWHZYTTH-UHFFFAOYSA-N 379.420 1.852 0 50 GDAA CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)cc2F)CC1 888103804 ZWCFIROCKDQUSC-RBUKOAKNSA-N 392.450 1.944 0 50 GDAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N[C@H]1CS(=O)(=O)C[C@@H]1O 888105149 XVJXFCBLLVPNBB-XHSDSOJGSA-N 382.869 1.395 0 50 GDAA Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CCNCC2)n2nc(C(F)(F)F)nc2n1 905712864 UFEXCUAVNZLLDR-RISCZKNCSA-N 397.405 1.510 0 50 GDAA CC(C)C1=NO[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C1 952873149 VYIQLJKFNSKRJE-QGZVFWFLSA-N 375.425 1.664 0 50 GDAA Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nc2cc(C(=O)O)ccc21 1529147450 ZOQGOMHSXFXHPH-UHFFFAOYSA-N 380.408 1.092 0 50 GDAA CN(C)c1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cn1 1704298488 HXEJBDQNWLNWNP-LAUBAEHRSA-N 383.448 1.668 0 50 GDAA CCc1nc(N)nc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 1704314941 YUDPOVAYVHZYES-UHFFFAOYSA-N 375.498 1.749 0 50 GDAA COc1cc(OC)c2nc(N3CCN4C(=O)CN(C)C(=O)[C@H]4C3)cc(C)c2c1 1704315145 OLOPTUKBWLWBCD-OAHLLOKOSA-N 384.436 1.050 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)c1cc(N2CCOCC2)no1 1772815130 FDZWQIZEVKGQFX-UHFFFAOYSA-N 382.424 1.275 0 50 GDAA CC(C)c1nccc(N2CCO[C@](C)(CNC(=O)CCCn3ccnn3)C2)n1 1775990354 AEOGPBJHZQQVHV-LJQANCHMSA-N 387.488 1.383 0 50 GDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(S(=O)(=O)c3cnn(C)c3C)C1)CC2 1857696078 LUKXXOVLTBYWKR-QGZVFWFLSA-N 377.470 1.201 0 50 GDAA CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cc4ccccc4[nH]3)[C@H]3CC[C@]2(C1)O3 1857729563 DWEXUCQIQWFZJI-JTQINKHRSA-N 382.464 1.123 0 50 GDAA O=C(c1ccc[nH]1)N1CCC[C@@](O)(CN2CCN(c3cccc(O)c3)CC2)C1 1857731342 FDSZIPOWROZTFO-OAQYLSRUSA-N 384.480 1.510 0 50 GDAA CC(C)n1cnnc1CN(C)C[C@]1(O)CCCN(C(=O)c2ncccc2O)C1 1857733935 GJIBCPMHDOCZQM-LJQANCHMSA-N 388.472 1.059 0 50 GDAA CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1875242967 JVPULOBAKHTEHD-PBHICJAKSA-N 396.490 1.021 0 50 GDAA CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CNC(=O)CC12CCC2 1875285293 JGYYPXNKKJXIJP-HZPDHXFCSA-N 387.480 1.757 0 50 GDAA C=CC(=O)NCC(=O)N1CCC(c2n[nH]cc2I)CC1 2325786669 OQIITSNWPOFKQW-UHFFFAOYSA-N 388.209 1.023 0 50 GDAA CC1(C)Cc2cccc(OCCNC(=O)C34C5C6C3C3C4C5C63C(N)=O)c2O1 2325792462 GGUYNDBAUAHKFX-UHFFFAOYSA-N 380.444 1.118 0 50 GDAA CN1CCN(c2ccc(C(=O)NCc3c[nH]nc3-c3ccnn3C)cc2)CC1 2325820729 UFXBZEVDMHYDBN-UHFFFAOYSA-N 379.468 1.492 0 50 GDAA COC(=O)c1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](CN(C)C)[C@@H]3CC[C@@]2(C1)O3 2356140312 DMJYVMPTOQSMFN-DRMAHVMPSA-N 394.493 1.203 0 50 GDAA O=C(N[C@@H](CS(=O)(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21 2389682 BUTKUPGRCQCTTA-INIZCTEOSA-N 391.401 1.866 0 50 GDAA in-vitro Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCN(C)C 6665115 BXIBWVRSDQIBCV-UHFFFAOYSA-N 394.479 1.458 0 50 GDAA CC[C@@H](C)C(=O)C(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11840725 IGIGDWUXNBXTKY-NVXWUHKLSA-N 387.480 1.967 0 50 GDAA CCN1C(=O)C[C@](CC(=O)N2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O 12205259 OYYHCMXQGHYYOP-GOSISDBHSA-N 398.381 1.971 0 50 GDAA Cc1ccc(CN2CCN3C(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)s1 14537949 QHVSIFNBZNDKFG-QZTJIDSGSA-N 385.489 1.516 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2cnn(C)c2)cc1 15061868 CJOORXVAHPIUSZ-LJQANCHMSA-N 383.496 1.120 0 50 GDAA O=C(c1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 20363809 BCHFMCHVHHHLID-WOJBJXKFSA-N 384.455 1.618 0 50 GDAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 55224798 QDVORMUHZBHFHY-OAHLLOKOSA-N 399.850 1.239 0 50 GDAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67473388 MNUUFHCWOQVOGZ-KRWDZBQOSA-N 379.420 1.468 0 50 GDAA CN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 67613323 UDAIHHALEFTQDB-INIZCTEOSA-N 385.917 1.704 0 50 GDAA O=C([C@H]1CCCNCC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67675589 VGGWDQCDZUFTFJ-KRWDZBQOSA-N 383.496 1.731 0 50 GDAA CC(=O)c1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n[nH]1 71751308 IMQQKYYTCWMPIS-AWEZNQCLSA-N 387.484 1.208 0 50 GDAA Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72412432 RISNQPPMWOBJCX-SJORKVTESA-N 389.477 1.415 0 50 GDAA Cc1nn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c(=O)n1Cc1ccccc1 77320903 HGMBFCKNJMZDDQ-UHFFFAOYSA-N 380.452 1.272 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c1 91403583 JMVLQCWARMAFSR-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA NC(=O)C1(N2CCCCC2)CCN([C@H](C(=O)O)c2ccc(N)c(F)c2)CC1 95372010 QKXSPDCELPXTAD-INIZCTEOSA-N 378.448 1.339 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC(F)(F)F)CC2 95506645 GSXGWLVHTRIOIO-UHFFFAOYSA-N 388.390 1.601 0 50 GDAA CN1CCN(C[C@H](O)COc2ccc(CN3CCC(F)(F)CC3)cc2)CC1 95508423 FXDOEFYOMDLLAB-SFHVURJKSA-N 383.483 1.905 0 50 GDAA CCCc1nnc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)s1 95529672 ABIOTMRIARJWJO-UHFFFAOYSA-N 390.513 1.741 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1Cc1c[nH]cn1 96140613 DWQITLVBOMSYRS-WMZOPIPTSA-N 375.517 1.918 0 50 GDAA COCc1cc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)n[nH]1 96149808 LHTUEJUHALQYOI-UHFFFAOYSA-N 382.446 1.096 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccc4ncccc4c3)CC2)cn1 129884443 JJMHPCDSNZMEAK-UHFFFAOYSA-N 399.476 1.551 0 50 GDAA C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 181774257 QCCBPQYGJLNAFM-GXFFZTMASA-N 386.374 1.369 0 50 GDAA O=C(c1ccccn1)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 185665081 USJATZIZCMOCKN-UHFFFAOYSA-N 386.433 1.511 0 50 GDAA O=C(c1ccc(F)cc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 213228122 SUFBGUZXQUVONM-SJORKVTESA-N 377.416 1.193 0 50 GDAA CN(C)CCOc1cccc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)c1 244787785 QDQKZGFFCKPRLS-QGZVFWFLSA-N 375.469 1.182 0 50 GDAA O=C(NCc1cccnc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2 245240428 RVVKTLZRQQKBFW-WIRSXHRWSA-N 379.391 1.824 0 50 GDAA O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1cn(Cc2ccccc2)nn1 253415804 YNUDNCGHRYDYSX-MRXNPFEDSA-N 383.383 1.254 0 50 GDAA COc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)c1 268913521 URUZKILLAUKKRO-INIZCTEOSA-N 376.457 1.474 0 50 GDAA Cn1ccnc(N2CCC[C@H](NC(=O)Nc3ccc4c(c3)CCCO4)C2)c1=O 275677656 LVUTUEYQXLYVOO-INIZCTEOSA-N 383.452 1.896 0 50 GDAA Cc1nn(C(F)F)cc1-c1cccc(C(=O)N2CCNC(=O)[C@@H]2CCO)c1 299773929 GCQRJMLXDMLQAK-HNNXBMFYSA-N 378.379 1.577 0 50 GDAA Cc1cnc(C)c(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299779689 IJINLXLBWHFQSZ-IBGZPJMESA-N 387.528 1.855 0 50 GDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 327996370 HNMOSOBDIUQMBJ-GFCCVEGCSA-N 389.495 1.393 0 50 GDAA CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)Cc1nnc(C2CC2)n1C1CC1 328637958 WEAYRCSQWBYFMF-UHFFFAOYSA-N 390.513 1.985 0 50 GDAA CC[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)N1CCCC1=O 329362589 CXOHOSUTOYAPLY-HZPDHXFCSA-N 385.530 1.240 0 50 GDAA Cc1cc(N)n(CC(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)n1 426612698 WMLNHJPQVQGRGP-JOCHJYFZSA-N 395.507 1.858 0 50 GDAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cn(C(C)C)cn2)C1 488550981 FTRWDTDIQWZAAY-RYUDHWBXSA-N 382.408 1.684 0 50 GDAA Cc1cnc([C@@H](C)NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)[nH]1 534666218 SLCMJMZJFYDGDA-CYBMUJFWSA-N 385.424 1.562 0 50 GDAA CC1(C)SC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)NC1=O 670455949 KNZYTMDWNTVJDK-CQSZACIVSA-N 388.493 1.422 0 50 GDAA CN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2c(F)cccc2F)CC1 823795743 GJWAMORBAMBQHY-SNVBAGLBSA-N 375.379 1.686 0 50 GDAA Cc1c[nH]ccc1=NCCNS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 825253611 PJQVJRMPAOKNQF-UHFFFAOYSA-N 389.437 1.723 0 50 GDAA Cc1ccn2ncc(C(=O)O[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)c2c1 837815403 MFJPFEGKBOAXAC-BBRMVZONSA-N 393.465 1.127 0 50 GDAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)NC[C@H]1CCS(=O)(=O)C1 952968634 FHWVDLGPKYRKEJ-LLVKDONJSA-N 384.889 1.883 0 50 GDAA O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N[C@H]2C[C@@]3(CCNC3)Oc3ccccc32)CN1 1345559222 IAEPKZNXMOTJML-KHSSZTOVSA-N 397.397 1.673 0 50 GDAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@@H]2CC1=O 1704338111 MHQIRTCMDIZCQQ-IJEWVQPXSA-N 384.436 1.072 0 50 GDAA CCn1cc(CN(C)C[C@@]2(O)CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)cn1 1857711157 KRSIIWIPQQXZIV-NRFANRHFSA-N 396.495 1.878 0 50 GDAA CCc1[nH]nc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1C 1857713961 ZHPFDYTUSISNTC-ICSRJNTNSA-N 399.495 1.590 0 50 GDAA CC(C)c1nnc(N2C[C@@H](C(=O)N3CCC4(CCN(C)C4)CC3)CC2=O)s1 1857720881 PGHAAWJSFIWDCQ-AWEZNQCLSA-N 391.541 1.959 0 50 GDAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CCN12 1857732920 NBHHYKWOYWRMRZ-DLBZAZTESA-N 392.496 1.967 0 50 GDAA O=C(CN1CCOc2ccccc2C1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875249395 PJZNVWNOJRJMEI-UNMCSNQZSA-N 382.460 1.842 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCCn2cccn2)cc1OC 1875250455 ZZNPWOLWTVXJAG-ICSRJNTNSA-N 389.452 1.642 0 50 GDAA CC1(C)CC[C@@H](CS(=O)(=O)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)O1 1875392709 PLFWWOVMWWOORO-ARFHVFGLSA-N 383.466 1.547 0 50 GDAA C[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1c1cc(N)ncn1)c1cc2ccccc2o1 2325786122 CEMJCUYGQJKMLR-NWANDNLSSA-N 381.436 1.665 0 50 GDAA COc1cnc(C(=O)N[C@@H](C)C2CCN(C(=O)C3=COCCO3)CC2)c(F)c1 2325793798 IEOQIXUUCUSCDJ-LBPRGKRZSA-N 393.415 1.474 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC1)OCC2 2356161802 KLKSHNPRLCPZCU-UHFFFAOYSA-N 395.423 1.098 0 50 GDAA COCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 55280935 RLZBAUZUMYBZOO-GOSISDBHSA-N 377.460 1.401 0 50 GDAA NC(=O)c1cccnc1N1CCC(n2cc(CN3CCCCCC3)nn2)CC1 23153449 CJPLCSCZMPZPDD-UHFFFAOYSA-N 383.500 1.990 0 50 GDAA O=C(O)c1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cc1 67758716 AGFHVJHBQWRVIT-OAHLLOKOSA-N 386.408 1.258 0 50 GDAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc2ccccc2[nH]1 409413198 DEKHKYZCLUJGHM-OAHLLOKOSA-N 381.392 1.325 0 50 GDAA Nc1ncc(Br)cc1S(=O)(=O)NCc1cn2c(n1)CCCC2 328609825 FXMMJGWXCXKZAC-UHFFFAOYSA-N 386.275 1.438 0 50 GDAA CCN1CCC[C@@H](CN(C)C(=O)Nc2nnc(C)s2)[C@@H]1c1cnn(C)c1 328627538 MVUBRHNNHKAPTO-DZGCQCFKSA-N 377.518 2.517 0 50 GDAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(Cl)cc3c2OCC3)n1 328630450 PVXMSWKKXXPKIP-NWDGAFQWSA-N 399.856 1.717 0 50 GDAA C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCNC(=O)c1cccnc1 371651191 YPEWTIZNEZGUBO-LPHOPBHVSA-N 396.495 1.416 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)Cc3cccnc3)CC2)C1 71551781 GJWSRLURJBYXHU-SFHVURJKSA-N 388.512 1.090 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329820152 PIQAHLGIQAPFMR-DMRKSPOLSA-N 384.432 1.656 0 50 GDAA O=C(NCCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71761171 DVSNCQXSWRRXII-SFHVURJKSA-N 384.524 1.853 0 50 GDAA CN(CCN1CCCCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1 72152128 DOJXASCJVDZGMF-IBGZPJMESA-N 387.528 1.107 0 50 GDAA CCOc1ccc(-c2noc(CCC(=O)N3CCOC[C@H]3C(=O)O)n2)cc1 262482978 KSNVNWPKTADVQP-AWEZNQCLSA-N 375.381 1.380 0 50 GDAA CS(=O)(=O)NCC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 375659543 HVLIDPWQXASAFE-QGZVFWFLSA-N 383.489 1.582 0 50 GDAA Cc1n[nH]cc1C1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 375823322 IYVKOOKDGSWYJN-UHFFFAOYSA-N 387.465 1.789 0 50 GDAA Cc1nc(CCNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)no1 71497575 CFRRTMVKSRMFAQ-AWEZNQCLSA-N 387.440 1.026 0 50 GDAA CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)NCCc2c[nH]cn2)s1 44901558 POKVVKOWYGTVKQ-AWEZNQCLSA-N 377.470 1.679 0 50 GDAA CN(C)C1=NC2(CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)C(=O)N1 426533870 UUCCURWNQOEJKV-UHFFFAOYSA-N 383.477 1.832 0 50 GDAA Nc1nc(CCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2)cs1 82108747 SMMRLZMCDOASGG-JSGCOSHPSA-N 377.445 1.422 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)NC[C@@H](O)CO)csc3C2)nc1 426656936 KJJNFUDBPSTNKT-OAHLLOKOSA-N 375.494 1.347 0 50 GDAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O 92107845 DFUAHDOLGHMXST-CYBMUJFWSA-N 377.466 1.237 0 50 GDAA CCNc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cn1 91427122 JDOGZMZEIIZWLL-UHFFFAOYSA-N 383.456 1.168 0 50 GDAA CC(C)C(=O)Nc1cc(NC(=O)NCCSc2nnnn2C)ccc1F 96150784 WHYYPWHUYPBFDZ-UHFFFAOYSA-N 381.437 1.858 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)CC1=O 95360959 OSGRHZXAMLQZQD-LBPRGKRZSA-N 377.876 1.285 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)Cc3ccncc3)C2)CN1CCc1c[nH]cn1 91998062 GKDNNUSKALZYOK-OAQYLSRUSA-N 381.480 1.821 0 50 GDAA C[C@@](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)(C(N)=O)c1ccccc1 184281527 UZGPLCGIFAOHQT-ZDUSSCGKSA-N 376.360 1.124 0 50 GDAA CN1C(=O)C[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)[C@H]1c1cccc(Cl)c1 269049505 UPHAJKZAKIPYDJ-JKIFEVAISA-N 380.828 1.562 0 50 GDAA CS(=O)(=O)N1CCOC2(CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)C1 824864449 KHHVPSYXHVWZDP-UHFFFAOYSA-N 380.470 1.296 0 50 GDAA CS(=O)(=O)c1ccc([C@]2(NC[C@@H](O)COCc3ccco3)CCOC2)cc1 1875391975 VJNVFFYKMUWKJL-APWZRJJASA-N 395.477 1.466 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](COC)C3CCOCC3)C2)n1 1875398021 XPGSDAUFQSEQKQ-IAGOWNOFSA-N 391.516 1.063 0 50 GDAA COc1ccc(C[C@@H](CO)CNC(=O)c2ccc3[nH]nc(C(=O)O)c3c2)cc1O 1875300222 RXXCHUPSEQIRIM-GFCCVEGCSA-N 399.403 1.556 0 50 GDAA CC1(C)CN(C(=O)C2=NN3CCCN=C3N2)[C@H]1c1nccn1Cc1ccccc1 952894670 OYFVRUAWYDPJBZ-INIZCTEOSA-N 391.479 1.819 0 50 GDAA CCn1cnc2c(N3CCO[C@](C)(CNC(=O)c4nocc4C)C3)ncnc21 1775992284 RLXKWEFHDQPJDI-GOSISDBHSA-N 385.428 1.168 0 50 GDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2COc3ccccc32)cn1 275706458 UUUNLVZELFBATC-CABCVRRESA-N 376.438 1.035 0 50 GDAA Cc1cc2[nH]c(CN3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)cc(=O)n2n1 1704340614 JNUPGOUNUIKSPL-OAQYLSRUSA-N 393.495 1.667 0 50 GDAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc(S(N)(=O)=O)c1C 1704298972 OXJKXAYJWVJVHA-SJORKVTESA-N 389.477 1.333 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2Cc3nnc(C)n3C2)c2c1CCCC2 1772705763 PNOREZWGNJBVOW-ZDUSSCGKSA-N 376.482 1.625 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@H]4CNC[C@]4(CO)C3)c(C)s2)on1 1772710813 SUHZAMCPRJJLCQ-MLGOLLRUSA-N 383.495 1.222 0 50 GDAA O=C(c1ccc2c(c1)CCCO2)N1C[C@@H]2CN(Cc3cncnc3)C[C@]2(CO)C1 1772809196 OTMHRLPOUMJTPN-SIKLNZKXSA-N 394.475 1.368 0 50 GDAA O=C(NCc1ccc(CO)cc1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772813694 PDTMSWXEXKKLHT-INIZCTEOSA-N 387.505 1.893 0 50 GDAA Cn1cnnc1SCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 14948611 KZPLDGGAJQLZBL-CQSZACIVSA-N 391.472 1.601 0 50 GDAA COc1cc(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(OC)c1 986492 AZAPBKJOEMZEBY-INIZCTEOSA-N 379.482 1.724 0 50 GDAA O=C(C1CCOCC1)N1CCC[C@]2(C1)CN(c1ncccc1F)CC[C@H]2O 1857694010 WUUAVTLLCRCVMB-YLJYHZDGSA-N 377.460 1.827 0 50 GDAA Cc1nonc1OCCNC(=O)c1cc2c(s1)CCOC21CCNCC1 1857704470 STPFESAITJVHBV-UHFFFAOYSA-N 378.454 1.400 0 50 GDAA CC(C)OCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccsc3)[C@H]3CC[C@]2(C1)O3 1857716523 CCXHPCKTKDMDEZ-WFXMFSGNSA-N 378.494 1.909 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)CCO1 263153575 BHTUUQCRMRVFGB-HNNXBMFYSA-N 397.859 1.202 0 50 GDAA O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 12441353 DEIFMIPLOHDBCZ-IBGZPJMESA-N 388.487 1.607 0 50 GDAA Cn1nccc1-c1ccccc1CN[C@@H]1C[C@@H](Cn2cc(C(=O)O)cn2)C[C@H]1O 2325786237 XIEJUSAXIAFHCP-LXGCGDOSSA-N 395.463 1.911 0 50 GDAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)N2CCSCC2)CC1=O 2325819657 MHYILYMXYDUAMN-DZGCQCFKSA-N 397.522 1.006 0 50 GDAA CCc1ncc(CNC(=O)Cn2ncc3ccc(Br)cc3c2=O)[nH]1 2325820611 KOTCRCRVCKRFEG-UHFFFAOYSA-N 390.241 1.761 0 50 GDAA O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cnn(-c2ccncc2)c1 2325856583 VZYYRGOZOWRCJH-INIZCTEOSA-N 376.420 1.037 0 50 GDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 623768 WIGOUEZWMAHERB-NSHDSACASA-N 388.449 1.434 0 50 GDAA O=C(NC[C@@H]1COc2ccccc2O1)C(=O)NC[C@@H]1OCCc2ccccc21 2846050 RXDNCRKKOSRSEY-BEFAXECRSA-N 382.416 1.373 0 50 GDAA O=C(O)Cc1ccc2c(c1)N(S(=O)(=O)c1cccs1)C[C@H](C(=O)O)O2 6883928 RUBJAUGTGKXSHR-GFCCVEGCSA-N 383.403 1.416 0 50 GDAA Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCOCC1 9426775 PUIAELYLEMWRNB-UHFFFAOYSA-N 393.444 1.086 0 50 GDAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN(C[C@@H](O)CO)CC3)cc1 12155920 ZLPFELCWILVKET-MJGOQNOKSA-N 376.497 1.288 0 50 GDAA CCOC(=O)CCN1C(=O)CC[C@@H]1CCNCc1ccc(C(=O)OC)cc1 12157797 DNKLITRQGSMMSX-QGZVFWFLSA-N 376.453 1.897 0 50 GDAA CS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CCCc1ccccc1 12317830 KZJUVLCOQUDWHT-KRWDZBQOSA-N 390.509 1.369 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCC(N3CCCC3)CC2)n1CCOC 12431978 IDUCPRNBOYDYLD-UHFFFAOYSA-N 384.546 1.383 0 50 GDAA CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716793 BBDUPCWBNPITOI-SFHVURJKSA-N 397.541 1.296 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccn2)c(OC)c1 19867928 WMOCSMRNXNVWND-SFHVURJKSA-N 398.463 1.106 0 50 GDAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(CCO)CC2)cc1 20256456 VYBHONXBMIVWCF-UHFFFAOYSA-N 383.448 1.698 0 50 GDAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(Cc2ccncc2)C1 23354251 XLBNNVFWXDSVMB-NHCUHLMSSA-N 387.572 1.683 0 50 GDAA CN(Cc1ccccc1)C1(C(=O)N[C@@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 39438334 ZMJQPFVKFMMLHM-HXUWFJFHSA-N 398.528 1.959 0 50 GDAA O=C(NCCN1CCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71775821 RATDREQBQAAOLM-NRFANRHFSA-N 399.583 1.970 0 50 GDAA Cc1c(CN2CC3(CCNCC3)C[C@H]2C(=O)O)c(=O)n(-c2ccccc2)n1C 72174153 PVKJEUHUZUHTGR-SFHVURJKSA-N 384.480 1.513 0 50 GDAA CN1CCC(CCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 72446789 DAGZXHDZNRVYPX-UHFFFAOYSA-N 399.582 1.997 0 50 GDAA CSCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91487055 KIIAPCWQHWAXSE-QGZVFWFLSA-N 391.537 1.927 0 50 GDAA Cc1ccccc1OCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 91644950 UCDZOBRNGSRWAX-DLBZAZTESA-N 380.448 1.927 0 50 GDAA C[C@@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 92066672 SLZALTNMRAQXSB-OAHLLOKOSA-N 385.468 1.854 0 50 GDAA CCCc1cc(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC)CC3)C2)n(C)n1 95387043 JVCOWMPGKZUUKI-HXUWFJFHSA-N 375.517 1.531 0 50 GDAA N[C@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)c1ccccc1 95509866 VYIZXFOOUDHADL-SFHVURJKSA-N 393.491 1.722 0 50 GDAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2nnn[nH]2)CC1 95517341 CLYUEVGRRFZGAY-UHFFFAOYSA-N 378.820 1.173 0 50 GDAA Cc1ccc(CN2CCN(C(=O)Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)o1 95523822 BZCFBFZHKBZBKB-MSOLQXFVSA-N 389.477 1.036 0 50 GDAA C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2n1C 119262596 TWSCILFBLCALIV-GFCCVEGCSA-N 397.460 1.317 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)N3CCN(Cc4ccncc4)CC3)ccc21 155113253 YOBKNLQSCOFZED-UHFFFAOYSA-N 379.464 1.818 0 50 GDAA Cc1nc(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc2Cl)n[nH]1 182692886 HJVJQDZKOIRPLO-UHFFFAOYSA-N 388.819 1.366 0 50 GDAA Cn1cc(N2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)CC2)cn1 185880216 CAUKGILXCUQFCF-UHFFFAOYSA-N 396.455 1.149 0 50 GDAA CCC[C@]1(C)C(=O)NCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 187317084 HNJQRURXMJMWIY-FXAWDEMLSA-N 377.460 1.716 0 50 GDAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 217993117 GXPQDZBVMJKWOE-LLVKDONJSA-N 375.333 1.260 0 50 GDAA biogenic COc1ccc(CN(CC(C)C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1 244719119 LXIMMUZBNFHQMX-HNNXBMFYSA-N 386.452 1.294 0 50 GDAA CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)c1 265175353 HXXNFLXQGMLLHZ-UHFFFAOYSA-N 385.449 1.324 0 50 GDAA Cc1ccc2c(c1)CN(CCNC(=O)CSc1nncn1C)C[C@@H](C)O2 299757091 MPFVENPKYBYYJZ-CQSZACIVSA-N 375.498 1.615 0 50 GDAA COCCn1cc(C[C@@H]2N=C(O)N(Cc3nc(C(C)(C)C)cs3)C2=O)nn1 328609631 FISUSWUAULTHNI-LBPRGKRZSA-N 392.485 1.546 0 50 GDAA CN1C(=O)COc2cc(NC(=O)N[C@H]3CCCN(c4ncccn4)C3)ccc21 374088260 IEIMUSDRVVSMHX-AWEZNQCLSA-N 382.424 1.622 0 50 GDAA O=C(c1cnc(OCC2CC2)cn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 376025677 XMFCHHAIGGWKDL-AWEZNQCLSA-N 379.424 1.635 0 50 GDAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)o1 408520965 DAEXEPUABMIWDR-AWEZNQCLSA-N 379.438 1.689 0 50 GDAA CN(CCn1ccc2ccccc21)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426647273 NCUXNOBTKOQAIA-QGZVFWFLSA-N 381.480 2.476 0 50 GDAA COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1S(=O)(=O)Cc1cc(C)no1 429351019 RDERJFNLIGVVIP-CYBMUJFWSA-N 393.465 1.399 0 50 GDAA NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)c3cnn(CCF)c3)c2)C1 497693215 YQPUHGHMTSAVIV-KRWDZBQOSA-N 387.459 1.480 0 50 GDAA CN1CCOC[C@@H](CNC(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)C1 584886751 OKZCUDDMDUYPSA-INIZCTEOSA-N 375.448 1.731 0 50 GDAA C[C@@H](CN(C)C(=O)NCc1nc(-c2ccccc2F)no1)N1CCOCC1 584894846 YTDIALJMVUFIBP-ZDUSSCGKSA-N 377.420 1.738 0 50 GDAA O=C1N[C@@H](Cc2ccncc2)C(=O)N1[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 865322579 VURSNWCLWCONJR-XIRDDKMYSA-N 385.445 1.549 0 50 GDAA NCc1nc2c(s1)CCN(S(=O)(=O)c1cnn(-c3ccccc3)c1)C2 883481601 SKANNTUDTQCMHF-UHFFFAOYSA-N 375.479 1.535 0 50 GDAA O=C(O)c1ccc(F)c(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)c1 1260212367 XHFFIOYTWRGSKX-UHFFFAOYSA-N 396.396 1.654 0 50 GDAA Cc1ccc(F)c(CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 1471824283 DWKPBPNOVKNHEZ-QGZVFWFLSA-N 379.457 1.799 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@H]3COCC[C@@H]3Oc3ccccn3)cc2)n1 1565510691 YETXODTWHRETGN-HOTGVXAUSA-N 380.408 1.238 0 50 GDAA O=C(N1C[C@@H]2CN(CCO)C[C@]2(C(=O)O)C1)C1(c2ccccc2)CCCCC1 1565511212 OFJOIRWUTDCMOP-AVRDEDQJSA-N 386.492 1.726 0 50 GDAA Cc1ccc(C(F)(F)F)cc1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616069244 RHIJVSFIJFOFRH-HIFRSBDPSA-N 380.432 1.698 0 50 GDAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCNC(=O)C4)CC3=O)sc2c1 1857668309 VXFCNEHCBRAPIH-LLVKDONJSA-N 388.449 1.006 0 50 GDAA COC(=O)c1cc(=N)[nH]c(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)n1 1857674386 GAMYCKYIEDZSAO-UHFFFAOYSA-N 383.452 1.551 0 50 GDAA Cc1n[nH]c(C)c1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)COCc1ccccc1 1857682679 YQMOSWBCHRFRSK-OALUTQOASA-N 382.464 1.945 0 50 GDAA Cc1ccccc1C(=O)N1CCC[C@]2(C1)CN(c1cc(N)ncn1)CC[C@H]2O 1857692812 VQYUJEWLSDZAFE-DYESRHJHSA-N 381.480 1.861 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cn1 1857705923 BCACNMUDMNLPAH-GOSISDBHSA-N 389.481 1.462 0 50 GDAA COc1cc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2cc[nH]n2)CO3)ccc1C 1857706857 TWIITUXRWJLKHS-HXUWFJFHSA-N 394.435 1.800 0 50 GDAA C=CC(=O)NCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1875301862 UBLFXSVUJIHEIL-GFCCVEGCSA-N 385.420 1.130 0 50 GDAA C[C@H](O)[C@H]1CN=C(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)N1 1875315106 ITIMYFBRPVTGHK-NILFDRSVSA-N 384.402 1.495 0 50 GDAA COCCn1nc2c(c1C(=O)NC1CC3(CC(CO)C3)C1)C[C@H](C)O[C@@H]2C 1875316163 YJBPYMGKPFWPHE-MIJDMDPPSA-N 377.485 1.833 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)NS(C)(=O)=O)cnc32)c(OC)c1 1875390688 LXNLQBYLPAKTQU-UHFFFAOYSA-N 390.421 1.186 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccnc4[nH]ccc34)C2)n1 1875397416 ZANAZOXTFREEDH-OAHLLOKOSA-N 379.468 1.698 0 50 GDAA Cn1ccc(Nc2ccc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cc2)n1 1875402229 CPUSNXPMKRQGCI-BMGDILEWSA-N 380.452 1.930 0 50 GDAA O=C1N[C@H](CC(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)c2ccccc21 2325888517 ACCDOCKDOIXRKE-NJDAHSKKSA-N 391.471 1.491 0 50 GDAA Cn1cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)ccc1=O 2356166497 AEFXFGOVLDIIRJ-FIKGOQFSSA-N 387.480 1.286 0 50 GDAA Cn1cccc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1=O 2356150032 IWGMNTRPHAZMDK-QYWGDWMGSA-N 387.480 1.286 0 50 GDAA Cn1[nH]c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)nc1=O 2356159366 XLZHXEDVTRWPOS-OAQYLSRUSA-N 390.447 1.686 0 50 GDAA CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12 3959300 NDNKNUMSTIMSHQ-URZKGLGPSA-N 397.541 1.072 0 50 GDAA CCCc1nsc(NC(=O)NCCCN2CCN(c3ncccn3)CC2)n1 225850382 SKINZBOTTAHQBK-UHFFFAOYSA-N 390.517 1.614 0 50 GDAA CCOC(=O)c1cnc(S[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)nc1N 100270001 KNFLMKKIDZQTGQ-LBPRGKRZSA-N 390.396 1.799 0 50 GDAA Cc1cc2nc(C(=O)N3CCC[C@@H](Cn4cc(C(=O)O)nn4)C3)cc(C)n2n1 67967707 PYGFXLGRAZFMTP-CYBMUJFWSA-N 383.412 1.188 0 50 GDAA O=C(c1cnon1)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O 20539519 UICIMIINVVTOKK-MOPGFXCFSA-N 380.448 1.921 0 50 GDAA NC(=O)c1cccnc1N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67676682 PSSOVMSOMZQNKS-UHFFFAOYSA-N 378.436 1.498 0 50 GDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 253420615 OCOQPBUNCJMWHK-PVUWLOKVSA-N 390.390 1.698 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNC(=O)c1cccnc1 32363825 KSLSUJQKDZYJOW-UHFFFAOYSA-N 377.448 1.973 0 50 GDAA CN1CCN(Cc2cccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)c2)CC1 363709588 LYKYULRRFJMUDN-NRFANRHFSA-N 386.540 1.417 0 50 GDAA Cc1nc(-c2ccc(CNC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2)no1 219203917 KDSKRRKCSWTICE-QGZVFWFLSA-N 375.392 1.937 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)c[nH]2)[C@@H]3C1=O 77471319 FVMOMSNQDOBZPC-VZRKHXGSSA-N 386.496 1.895 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)NCc1nccn1Cc1ccccc1 72423153 AYNPRZNRGGDEPG-UHFFFAOYSA-N 378.480 1.870 0 50 GDAA O=C(OC[C@H]1CCCCN1C(=O)CSc1n[nH]c(O)n1)N1CCCCCC1 376478865 VMUIAPSDBPMSSG-CYBMUJFWSA-N 397.501 1.996 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 333948046 WADUIUSKWQNVRF-HNNXBMFYSA-N 391.442 1.113 0 50 GDAA CN1CCCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)CC1 77300294 QPKHYPUOMMUKCI-WEMPKCCASA-N 399.466 1.272 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H](C)N(C)C)C(=O)N(CCc1ccccn1)C2 71639622 NLWIHRLUZISWOI-CQSZACIVSA-N 397.479 1.250 0 50 GDAA COc1ccc(C2(C(=O)NCCSc3nnnn3C)CCCC2)cc1OC 426501693 BUHZYYIUHCPVKB-UHFFFAOYSA-N 391.497 1.948 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC3(CCCO3)CC2)c1 426358354 OFDWXTCHGVNVIE-IBGZPJMESA-N 385.508 1.857 0 50 GDAA O=C(c1onc2c1CCCC2)N1CCc2c([nH]c(-c3ccncc3)nc2=O)C1 426547516 CGBLKIHBFVBZAJ-UHFFFAOYSA-N 377.404 1.897 0 50 GDAA O=C1CC[C@]2(CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)CN1C1CC1 92061617 SXAGDKYOBJDUQX-NRFANRHFSA-N 382.464 1.767 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 95525202 IIRVBCMNPJBKRT-HNNXBMFYSA-N 384.436 1.436 0 50 GDAA Cc1c([C@@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)cnn1-c1cccc(F)c1 91695399 JFLFZRPGKWXAGK-GFCCVEGCSA-N 385.399 1.437 0 50 GDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(c3nccn3CC3CC3)CC1)CC2 95506997 DJRVUPCFSCUSRX-INIZCTEOSA-N 384.484 1.157 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)o1 92078875 KXINGFNCTCUJJK-QGZVFWFLSA-N 388.464 1.972 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CC[C@@H](Cc4cccc(C(N)=O)c4)C3)nc2n1 91365139 JMEPJVQOLVDQJT-HNNXBMFYSA-N 378.436 1.545 0 50 GDAA O=C(CCC1CCN(C(=O)C[C@H]2COCCN2)CC1)NCc1ccc(F)cc1 95516831 JSSIZEAWDHJQNO-IBGZPJMESA-N 391.487 1.839 0 50 GDAA CN(C)CCN1C[C@@]2(CCCN(C(=O)CSc3ccccn3)C2)CCC1=O 95499260 UDIOQFTUAWTUTR-FQEVSTJZSA-N 390.553 1.967 0 50 GDAA COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@H]2C(=O)O)cc1 238901353 LNEPFOFABQQXFG-QXEWZRGKSA-N 395.414 1.615 0 50 GDAA Cc1cccc(NC(=O)CN2CCC[C@H](CNC(=O)CCn3cnnc3)C2)c1C 827822410 ODVIZXNVZPIOFK-GOSISDBHSA-N 398.511 1.752 0 50 GDAA Cc1ccc2nc(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)[nH]c2c1 670441610 RPYNBSKGKBIELA-OAHLLOKOSA-N 390.509 1.387 0 50 GDAA NCC1CC2(C1)C[C@@H](N=c1ccc3cc(Cl)cnc3[nH]1)CCS2(=O)=O 1875320713 VUBWTZHWQMEHOI-WKXXDYOBSA-N 380.901 1.802 0 50 GDAA O=C1CC2(CN1)CN(C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 1875331406 YMNPZMNVSUETTN-UHFFFAOYSA-N 378.237 1.214 0 50 GDAA Cn1cc(C(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 1875271757 XTIIQFKJGCTRGJ-UHFFFAOYSA-N 388.855 1.925 0 50 GDAA COCCN1CCC[C@H](C(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)C1 952964858 AHEQBAMDJXVTFO-INIZCTEOSA-N 376.501 1.792 0 50 GDAA C[C@H]1CN(c2ccc(CNC(=O)c3cc4n(n3)CCCC4)cc2)S(=O)(=O)C1 885739171 ORKINEYQEHEKPH-AWEZNQCLSA-N 388.493 1.935 0 50 GDAA CNC(=O)Nc1cccc(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c1 1358196386 LPPKRKKUDPGMOW-UHFFFAOYSA-N 397.479 1.659 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)NCCc3nc(CC(=O)O)cs3)ccc2O1 275293750 PSBWBMDBRBJOSM-SNVBAGLBSA-N 382.463 1.615 0 50 GDAA O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 170608568 ADBCTNYWDZPQFV-DLBZAZTESA-N 376.478 1.754 0 50 GDAA CCC(CC)[C@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)N1CCOCC1 225432624 TVRXYAIZCVQEIX-QXAKKESOSA-N 378.517 1.751 0 50 GDAA CN(C)S(=O)(=O)CCCN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704344577 UCEGYUSQPJCWJR-APWZRJJASA-N 377.510 1.352 0 50 GDAA CCOC(=O)C1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 784379 GDXRUCTWFUNXTH-UHFFFAOYSA-N 396.509 1.871 0 50 GDAA Cc1cc(C)cc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)CC2=O)c1 11753762 UYKTZYLPNXQTCT-GOSISDBHSA-N 383.492 1.875 0 50 GDAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccccn1)CC2 11790298 RVWFPLZDXQIUSR-UHFFFAOYSA-N 376.464 1.590 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 16347146 BHUWPQHHIOMKGT-HNNXBMFYSA-N 399.944 1.969 0 50 GDAA COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 2812972 ATFMKFJAUHEQBB-NTUHNPAUSA-N 395.389 1.456 0 50 GDAA COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(O)n2ccccc2nc1=O 205945740 RPIQJZNZZOEKJR-AWEZNQCLSA-N 382.372 1.882 0 50 GDAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 4511089 GKHWEUMFYBHHEX-CQSZACIVSA-N 385.395 1.756 0 50 GDAA CCCOCC(=O)N1CCC[C@@]2(CN(Cc3ccc(C)cn3)CC[C@H]2O)C1 1857692472 GGSISRYKSLMTAJ-TZIWHRDSSA-N 375.513 1.992 0 50 GDAA O=C(NCc1nnc2ccccn12)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 1857692638 NPGBNIOBZCAMEH-DNVCBOLYSA-N 383.477 1.556 0 50 GDAA O=C1NCC2(CN(C(=O)[C@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)C2)N1 1857710286 PAQDMLLANFLJSG-NSHDSACASA-N 389.843 1.591 0 50 GDAA Cc1c(F)cccc1C(=O)NC[C@H]1[C@H]2CN(S(C)(=O)=O)C[C@]23CC[C@H]1O3 1857720057 CBFVHHHTZOQEEO-GARXJVFOSA-N 382.457 1.303 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CCO2)o1 328627778 NCHPWSNBTIEQIW-CQSZACIVSA-N 392.437 1.279 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CS(C)(=O)=O 264864426 GMBYSZMOFVLBHG-HIFRSBDPSA-N 382.482 1.239 0 50 GDAA O=C(N[C@@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@H]3C2)C[C@H]1O)c1cc(C(F)F)[nH]n1 2100555565 XHHPBYQLNRDNQL-VINAVUOLSA-N 382.411 1.475 0 50 GDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1CCOCC1)C[C@H]2O)c1cnc[nH]1 2100557231 YRWOWJIVDBARBF-JWUVWSEFSA-N 396.491 1.395 0 50 GDAA Cc1csc2ccc(CC(=O)N=c3ccn(CCc4nc(=O)o[nH]4)[nH]3)cc12 2325821893 KVIVPAKWKALDOM-UHFFFAOYSA-N 383.433 1.928 0 50 GDAA C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 631622 PJCDQBUHNSLQIQ-JTQLQIEISA-N 394.884 1.608 0 50 GDAA Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)cnn1C 2732699 SGYCMHRVWZLSHI-CYBMUJFWSA-N 382.511 1.507 0 50 GDAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6208397 DKKZVFAQBNSRSY-OAHLLOKOSA-N 377.441 1.938 0 50 GDAA O=C(Cc1ccc2c(c1)OCO2)NCCn1cc(C(=O)Nc2ccccc2)nn1 12164318 LTOUNIZNEBDVIV-UHFFFAOYSA-N 393.403 1.618 0 50 GDAA Cc1ccccc1Cn1cc(C(=O)N2CCC(N3CCC[C@H](O)C3)CC2)nn1 12595177 ANKRWVMQYKPTQU-IBGZPJMESA-N 383.496 1.696 0 50 GDAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)cc1 12705606 NNELLNWZRCMKTF-FQEVSTJZSA-N 381.476 1.745 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c(C)c1 13009204 OBSSTLCECVLLFL-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc(OC)c1 13154927 JCWWYVLGFJQWIC-CLWJZODNSA-N 378.421 1.861 0 50 GDAA Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n(C)c2n1 20353505 SNKJIPABFJIEEG-UHFFFAOYSA-N 382.376 1.079 0 50 GDAA O=C(NCc1ccccc1)N1CCC(n2cc(CN3CCC[C@@H](O)C3)nn2)CC1 23581109 IRNGKYGPTVFEMW-HXUWFJFHSA-N 398.511 1.782 0 50 GDAA COc1cccc(C[C@@H]2CN(C(=O)c3ccnc(-n4cnnc4)c3)CCO2)c1 71385608 GMRQGPXOUMXZHN-GOSISDBHSA-N 379.420 1.755 0 50 GDAA O=C(NCCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71754319 GAURGAKUJYIDSX-IBGZPJMESA-N 384.524 1.853 0 50 GDAA Cc1cccc(N(CC(=O)N[C@H]2CC[C@H]2NC2CCCC2)S(C)(=O)=O)c1 72144779 OSNKJUCLCUAGBL-MSOLQXFVSA-N 379.526 1.940 0 50 GDAA COc1cccc(N2CCN(C(=O)[C@@H](O)COc3ccccc3C)CC2=O)c1 82083861 WIPSOVHDJDGHQL-SFHVURJKSA-N 384.432 1.619 0 50 GDAA Cc1c([C@@H](C)NC(=O)CN2CC(=O)NC2=O)cnn1-c1ccc(F)cc1F 91518991 FQOFEYVVFYRVAB-SECBINFHSA-N 377.351 1.188 0 50 GDAA CCCc1n[nH]cc1C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 91860122 HTGONGISUWZODI-UHFFFAOYSA-N 375.517 1.769 0 50 GDAA O=C(NCc1ccccc1-n1cccn1)[C@H](c1cccnc1)N1CCOCC1 95361212 FAZQMMPJWLVLSK-FQEVSTJZSA-N 377.448 1.957 0 50 GDAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COCCO3)c2)CC1 95511621 AZUFFZMEHFVNRG-INIZCTEOSA-N 380.466 1.173 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)o1 95512174 XLMBZJKZVDVCKR-INIZCTEOSA-N 375.469 1.355 0 50 GDAA CC(C)[C@H]1C=CCN1C(=O)c1cccc(S(=O)(=O)NCCn2cccn2)c1 97446889 UGSNFYXHNAEIGA-GOSISDBHSA-N 388.493 1.898 0 50 GDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 106683042 LBUHRDZJGXEAHL-YTQUADARSA-N 391.537 1.682 0 50 GDAA Cn1cnnc1[C@@H]1CCCN1C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 125835802 SLHNOABSIROQAZ-HNNXBMFYSA-N 392.419 1.116 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 126105370 LPGWQZAXHRLCHD-SJLPKXTDSA-N 398.446 1.435 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)co1 170601772 PFQZCQIQDVDUQD-AWEZNQCLSA-N 389.437 1.362 0 50 GDAA CN(CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)S(C)(=O)=O 191279354 BWTFCJRCFFQYHX-NSHDSACASA-N 380.297 1.580 0 50 GDAA O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1csc2nc(-c3ccccc3F)cn12 212051041 XJTDGLNIQHZIIZ-JSGCOSHPSA-N 395.437 1.090 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cc(Br)ccc1=O 237974813 DTLLXUNUHPVODZ-DRZSPHRISA-N 383.242 1.855 0 50 GDAA COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239173791 OQVACCQQLSQPAS-PSJNWGMYSA-N 395.411 1.474 0 50 GDAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC(=O)[C@@H]4[C@H]4[C@H]3[C@@H]3[C@H]1[C@@H]1C(=O)CC[C@H]1[C@H]3[C@]42C(=O)OC 247864083 WUPBWWFROVYQDQ-WHKKJXTJSA-N 384.428 1.261 0 50 GDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CC1 248099539 ZVQIFFJMQKOYTJ-VIQHNZTISA-N 383.533 1.898 0 50 GDAA biogenic Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 253370452 RCOYJEYWUBEQEA-QAPCUYQASA-N 386.496 1.054 0 50 GDAA COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)CN2CCCC2=O)c1 253429599 TZPXTFCWGMIJKF-JTQLQIEISA-N 383.242 1.976 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1 262361705 IXINEOZIWUYMDM-PWSUYJOCSA-N 376.306 1.869 0 50 GDAA COCCn1nc2c(cc1=O)CN(C(=O)Nc1ccc3c(c1)OCCO3)CC2 263615157 AXAVQJMLDVUSGQ-UHFFFAOYSA-N 386.408 1.251 0 50 GDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 271218841 JNZSOIQKYABXGE-GFCCVEGCSA-N 387.461 1.652 0 50 GDAA C[C@H]1CN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CCN1S(C)(=O)=O 271876602 PNLGGKJNQPIZBH-YVEFUNNKSA-N 395.506 1.108 0 50 GDAA O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1C[C@@H](O)CN1 299742302 BAAYXAAFMQVLSJ-CKYFFXLPSA-N 378.782 1.172 0 50 GDAA CS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@H](C(=O)O)C2)c1F 299744609 TVHDYHSSHFEGCC-ZETCQYMHSA-N 394.218 1.538 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)NCc2nncn2C2CCCCC2)cc1 299782720 NEPGPIJUIVQEGT-UHFFFAOYSA-N 378.458 1.752 0 50 GDAA CN(Cc1cc(=O)n2nccc2[nH]1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328645693 SHWDEKPACGDJEK-NSHDSACASA-N 380.374 1.932 0 50 GDAA CC[C@]1(C)NC(=O)N(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1=O 363106500 ONTUQDJDRRTFFY-FQEVSTJZSA-N 386.452 1.128 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)N3CCOC[C@H]3[C@H]3CCCO3)CC2)c1 367730422 SSRVMYZQKORYBI-LEWJYISDSA-N 387.524 1.914 0 50 GDAA O=C(N[C@H]1CCCc2c[nH]nc21)C1(S(=O)(=O)c2ccccc2)CCOCC1 368158466 CTFAGTZTGXTULR-INIZCTEOSA-N 389.477 1.926 0 50 GDAA COc1ccc(-n2cc(CNC(=O)[C@H](Cc3ccccc3)NC(N)=O)nn2)cc1 378084139 CMYVSYWDZARDCQ-SFHVURJKSA-N 394.435 1.172 0 50 GDAA Nc1cc(-c2ccc(C(=O)N3CCN(CC4CC4)[C@@H](CCO)C3)cc2)ncn1 426491584 ULJNJJPLGLJVSO-SFHVURJKSA-N 381.480 1.645 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CC(c2ccncc2)C1 426722328 BQBVUUJTCKCCGT-FQEVSTJZSA-N 378.476 1.707 0 50 GDAA CN1CC[C@](C)(CNC(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)C1 670439362 LMISNZBGRFQANF-JOCHJYFZSA-N 397.475 1.861 0 50 GDAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2nc3cccnc3[nH]2)C1=O 793932561 OOKGWZJHFCMDJD-IBGZPJMESA-N 378.392 1.041 0 50 GDAA CC[C@H](C)NC(=O)N1CCOC2(CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 822635483 WTTFQFTWXYXMCN-AWEZNQCLSA-N 377.489 1.544 0 50 GDAA CNC(=O)CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 864097377 QCSZMDVGXKBXEK-ZIAGYGMSSA-N 389.518 1.363 0 50 GDAA CN(C)C(=O)N1CC[C@@]2(O)CCN(C(=O)CSc3ccccn3)C[C@H]2C1 1073335194 MFPSEGDNHFHMPI-KSSFIOAISA-N 378.498 1.141 0 50 GDAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC(C(=O)N2CCOCC2)CC1 1506422985 BPXPQQFVMUHFSS-UHFFFAOYSA-N 381.436 1.250 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@@H](C(N)=O)C(C)C)ccc1F 1704337770 ZGBGARNQCPMTEM-CQSZACIVSA-N 378.404 1.795 0 50 GDAA O=C(O)c1coc(CN2C[C@H]3CN(Cc4ccc5c(c4)CCO5)C[C@@]3(CO)C2)n1 1772806800 FLKIZEJUGFCILX-IERDGZPVSA-N 399.447 1.234 0 50 GDAA CCCc1nc(C)cc(N2C[C@@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@]3(CO)C2)n1 1772810510 KQBKPPUFFDYFPI-IERDGZPVSA-N 398.511 1.350 0 50 GDAA OC[C@]12CN(Cc3ccc4c(c3)CCO4)C[C@@H]1CN(c1noc(C3CC3)n1)C2 1772819685 ZJPDYGMMNMEFJF-DYESRHJHSA-N 382.464 1.813 0 50 GDAA C[C@@H](CCNC(=O)c1cnc(C2CC2)s1)NC(=O)[C@@H](C)N1C(=O)CCC1=O 1776004621 VLVIZCUPDFUPKA-WDEREUQCSA-N 392.481 1.183 0 50 GDAA CCc1nc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)C4CCCC4)C3)C2)n[nH]1 1857684943 KVZFSCQUMNPQQV-OXQOHEQNSA-N 375.517 1.733 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)c3cc(C)on3)CC(=O)N2[C@@H]1c1ccccc1 1857691747 BTZXUKWXZDALGA-GPMSIDNRSA-N 396.447 1.533 0 50 GDAA O=C(O)CN1CCC2(CC1)OCCc1sc(C(=O)NCc3cc[nH]n3)cc12 1857707361 PUHUBZWJYIXDTH-UHFFFAOYSA-N 390.465 1.350 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCc2cccc(C)n2)C[C@H]1NC(=O)Cn1cccn1 1875248033 VMBLGLUDECIGGK-QXAKKESOSA-N 399.495 1.245 0 50 GDAA C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2ccncc2)c1)N1CCOC[C@H]1C 1875300565 IGJBFGXQIADTLO-JKSUJKDBSA-N 382.464 1.913 0 50 GDAA CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2C3(F)F)[C@@H](c2ccccc2)C1=O 1875307585 FFTBIGMEXHBIPM-ZRGWGRIASA-N 391.418 1.580 0 50 GDAA CC1(C)OC[C@H](c2cn(C3CCC(C(=O)N[C@]4(C)CCOC4=O)CC3)nn2)O1 1875357424 HEHVVCJKUFNKBI-SELLTNEASA-N 392.456 1.655 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)CC1 1875365544 VQOLDQLJHLEJGV-ZDUSSCGKSA-N 384.436 1.803 0 50 GDAA CCOc1cccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397090 KWWQESXCGUZSMN-QGZVFWFLSA-N 398.511 1.957 0 50 GDAA Cc1c(CN2C[C@H](CC(=O)N3CCC(F)(F)[C@H]3C)OCC23CCC3)nnn1C 2325785241 LOBCKXXGLRSIDY-CABCVRRESA-N 397.470 1.893 0 50 GDAA Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H](Cn4cc(Cl)cn4)C[C@H]3O)nc12 2325785579 FCVMKNIKCNABLI-IAOVAPTHSA-N 387.871 1.991 0 50 GDAA COCC1(C(=O)N[C@@H]2CC3(CN(C(=O)[C@@H](C)C4CC4)C3)n3ccnc32)CCC1 2332237581 BYHDDWZEBIEAKU-GOEBONIOSA-N 386.496 1.844 0 50 GDAA O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCc2nc(C3CC3)nn2CC1 2356164261 LUFWMHUKGGJUSK-INIZCTEOSA-N 378.440 1.011 0 50 GDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100550074 KXKLBHOJLHFLEY-MWRXHXJCSA-N 383.400 1.617 0 50 GDAA COCCCn1c(CN(C)C[C@@H]2Cc3ccccc3O2)cnc1S(C)(=O)=O 20452344 YBIRVAOLOOBSEO-KRWDZBQOSA-N 393.509 1.759 0 50 GDAA O=C1NCCc2ccc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc21 249473716 SQVFZJVLZZPORA-WMLDXEAASA-N 392.502 1.431 0 50 GDAA Cc1cnc(C)c(N2CCN(C3CCN(C(=O)c4cccnc4)CC3)CC2)n1 1506405957 YHAAKBXPEZONJG-UHFFFAOYSA-N 380.496 1.915 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCCn1ccnc1)CO2 67674214 YPGFULLKVUJEGU-INIZCTEOSA-N 385.468 1.379 0 50 GDAA C[C@H](O)C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 67771093 HBQPZPUONIHKPM-HNNXBMFYSA-N 386.452 1.835 0 50 GDAA CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 328613980 UTZCAMQOTOTKQQ-KZULUSFZSA-N 393.465 1.799 0 50 GDAA O=S(=O)(c1ccc2nc(O)c(O)nc2c1)N1CC[C@H](Oc2cccnc2)C1 328613367 RRVYLJGNECVZCH-LBPRGKRZSA-N 388.405 1.278 0 50 GDAA Cc1csc([C@H](NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C2CC2)n1 329554933 DONPRPFDKWJVOI-WCQYABFASA-N 378.541 1.647 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1 173747821 BFHDEDDGGOTQKU-ZDUSSCGKSA-N 392.481 1.713 0 50 GDAA CCN(C(=O)c1cccc(S(=O)(=O)N(C)CCOC)c1)C1CCOCC1 214957369 HCHRQGZYVMXGQL-UHFFFAOYSA-N 384.498 1.595 0 50 GDAA CN1CCN(C(=O)C[C@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)CC1=O 71662704 DVUUFETYKFNJAP-QHCPKHFHSA-N 391.471 1.834 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 485834215 ORSRLIZMJPHBIE-CYBMUJFWSA-N 384.417 1.921 0 50 GDAA O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 376488373 PEDBIQUFIKZOLY-SJLPKXTDSA-N 379.501 1.757 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N[C@@H](C)CO)nc3c(=O)n2CC2CC2)cc1 72453976 XILNNNRTUMWGQG-ZDUSSCGKSA-N 396.447 1.692 0 50 GDAA CCc1nsc(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)n1 174902803 SUSLAMAPLGHHLM-UHFFFAOYSA-N 398.496 1.713 0 50 GDAA Cc1ccc(C)c(CC(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77504477 QTZGGYYURDLRPZ-MOPGFXCFSA-N 378.538 1.812 0 50 GDAA Cc1ncc2n1CC[C@H](C(=O)N1CCN(C(=O)c3ccc4c(c3)OCO4)CC1)C2 289382498 CJQCVTJCZIRDIJ-INIZCTEOSA-N 396.447 1.467 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 178274220 WWQQXXDVNFXGSN-ZWNOBZJWSA-N 381.226 1.735 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(CN)cc3)C[C@H]2CCC(=O)O)CC1 95354402 HTVAIPYLPPNQCG-MOPGFXCFSA-N 388.512 1.088 0 50 GDAA Cc1ncc(CO)c(CN2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)c1O 91998152 CFRCNXREBRVDDD-OAQYLSRUSA-N 390.528 1.354 0 50 GDAA COCc1nc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)no1 95528442 MLYIAEPOGPVQSI-ZDUSSCGKSA-N 388.424 1.587 0 50 GDAA O=C1C[C@@H](C(=O)O)C2(CCN(CCC(=O)N3CCc4ccccc4C3)CC2)N1 95366767 DUDAUMQNDHTPES-KRWDZBQOSA-N 385.464 1.017 0 50 GDAA CCc1ccc(CNC(=O)[C@H]2CNC[C@@H](C(=O)Nc3ccc(C)nc3)C2)nc1 95390597 CFYBBFHWBMCBBT-SJORKVTESA-N 381.480 1.828 0 50 GDAA O=C(NCc1cccc(-n2cccn2)c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95380569 FZINFGCWDMOCAP-GOSISDBHSA-N 375.432 1.932 0 50 GDAA Cc1cnc([C@H](C)NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)[nH]1 534666219 SLCMJMZJFYDGDA-ZDUSSCGKSA-N 385.424 1.562 0 50 GDAA CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 867730077 MBNNDSMPMSZQSL-GVDBMIGSSA-N 376.453 1.235 0 50 GDAA O=C([C@H]1CCCNS1(=O)=O)N(Cc1ccccc1C(F)(F)F)C1COC1 1875274349 QUPQJKIFACKCDO-CQSZACIVSA-N 392.399 1.515 0 50 GDAA Cc1ccn(CC(=O)N[C@H]2CCCN(Cc3cnnn3-c3ccccc3)C2)n1 1875303203 BJJNWOORXQYKTQ-KRWDZBQOSA-N 379.468 1.553 0 50 GDAA Clc1ccc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1 1875391154 OHUFPKWYLRSLAN-UHFFFAOYSA-N 394.888 1.744 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2nc(C3CC3)nn2C)N1Cc1ccccc1 1875392771 SMYXENJHPBQWHT-VFNWGFHPSA-N 399.495 1.074 0 50 GDAA C=CC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 1875389578 TZZIVKGIYZRFFG-XLIONFOSSA-N 389.455 1.769 0 50 GDAA CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3cncs3)C[C@@H]2C1)N1CCCC1=O 1875362024 MOEVSHPPKPAKSV-LZWOXQAQSA-N 390.509 1.003 0 50 GDAA CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)NS(C)(=O)=O)C2)cc1OCC 1875391081 IKZWMNFJHKPHLI-CQSZACIVSA-N 398.481 1.412 0 50 GDAA C=CC(=O)NCc1ccc(C(=O)N2CCC3(CCS(=O)(=O)CC3)C2)cc1 1875370472 PUTBGAHNQBYDSD-UHFFFAOYSA-N 376.478 1.530 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnnn3C3CC3)C2)c1C 1875397605 HATGMWBRAIKRFM-CQSZACIVSA-N 384.488 1.090 0 50 GDAA NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc3n(n2)CC2(CCNCC2)OC3)C1 1775962113 SZRKJOOIPNAYFE-UEDWGHLCSA-N 395.507 1.324 0 50 GDAA CN1CCN(CCOc2ccccc2CN2CCNC(=O)C23CCCC3)CC1 1506429634 SNVWPSOSPUEBOE-UHFFFAOYSA-N 386.540 1.557 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1 1506431730 WYFGCAHZWOAXPF-SFHVURJKSA-N 384.461 1.963 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cn2ccnc2C)cc1OC 1529169367 YCXYHFLFXPAACR-IEBWSBKVSA-N 375.425 1.170 0 50 GDAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCNC(=O)c3ccccc3F)C[C@@H]2CC1=O 1529120979 WUUPUEKUUXWRCF-QLFBSQMISA-N 375.444 1.661 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529151799 FFLJLNQKGJKLPB-QFBILLFUSA-N 392.525 1.173 0 50 GDAA O=C1CO[C@@]2(CCN(Cc3ccccc3OCCCCn3ccnc3)C2)CN1 1772806909 HAJSIMUVGUCJLJ-NRFANRHFSA-N 384.480 1.833 0 50 GDAA COc1ccc(Cl)cc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 882428 YTXICSAMHKBNJR-GFCCVEGCSA-N 376.862 1.410 0 50 GDAA Cc1ccc(CN2C[C@H](C(=O)N3CCN(c4cnccn4)CC3)CC2=O)cc1 11086432 UGHOYGJWDWVIBQ-GOSISDBHSA-N 379.464 1.482 0 50 GDAA COC(=O)[C@H](CCSC)NC(=O)c1cc(COc2ccc(C)nc2)on1 11938518 BHOROZZBKKNWOZ-AWEZNQCLSA-N 379.438 1.982 0 50 GDAA COc1ccccc1CC(=O)NCCn1cc(C(=O)NCc2ccccc2)nn1 12213074 GGZLJOXLXUSFKJ-UHFFFAOYSA-N 393.447 1.576 0 50 GDAA CCCn1cnnc1CNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12583946 SKGROKKWVBBZHC-QGZVFWFLSA-N 399.495 1.794 0 50 GDAA CC[C@@H](C)[C@@H](C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525731 SIKCBULJFDIBRU-KUHUBIRLSA-N 396.499 1.917 0 50 GDAA CC(C)CN1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)CC1=O 1857704199 IBSKDQANILJUNK-UHFFFAOYSA-N 375.469 1.114 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)NC[C@@H]1COc2ccccc2O1 1857709391 VKFMUWKAVIIHAR-CYBMUJFWSA-N 375.450 1.858 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cncc(C)n4)C[C@]34CC[C@H]2O4)cn1 1857711050 YPSPTEAWQQWSRH-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA CCOC(=O)c1[nH]cnc1C(=O)N1C[C@@H]2C=C[C@H](C)[C@@H](C(=O)OCC)[C@@H]2C1 1857711210 NZJWFEWRCOTOPI-IGQOVBAYSA-N 375.425 1.660 0 50 GDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@]23CC[C@H]1O3 1857719653 QNSHSQBOYPRELV-NRTGNBEESA-N 388.493 1.549 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCCc3cccnc3OC)CC2=O)s1 1857720444 UWSCSLWOKTXTFP-ZDUSSCGKSA-N 389.481 1.606 0 50 GDAA Cc1nc(CCNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)c3cc4ccccc4o3)C2)no1 1875242902 HPELXROJZZQZNV-KKUMJFAQSA-N 398.419 1.352 0 50 GDAA CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1 12317179 NLRFGPHMSZNPCP-SFHVURJKSA-N 383.496 1.295 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)c(OC)c1 19867933 WMOCSMRNXNVWND-GOSISDBHSA-N 398.463 1.106 0 50 GDAA CNC(=O)COc1ccc(NC(=O)CNC(=O)CCc2ccc(C)cc2)cc1 264167530 JZCUQIDWHDAANL-UHFFFAOYSA-N 383.448 1.807 0 50 GDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)O 426486128 YUALXWLNNUHUBP-INIZCTEOSA-N 377.441 1.468 0 50 GDAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 713238 CXVSGRCMMBTPCL-UHFFFAOYSA-N 399.472 1.851 0 50 GDAA C[C@](N)(CNC(=O)c1cnn2c(Br)cccc12)Cn1cccn1 2325775033 TYGRFDPYYGTINZ-HNNXBMFYSA-N 377.246 1.441 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3conc3C(F)(F)F)ccc21 2325782543 GABNRPIRXKJCOM-UHFFFAOYSA-N 390.343 1.362 0 50 GDAA COc1cc2nc(C3CCCC3)n(CC(=O)NCCCO)c(=O)c2cc1OC 2325809471 XBFUQQQHYJAVKE-UHFFFAOYSA-N 389.452 1.570 0 50 GDAA O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc2c(c1)OCO2 780868 POPGZPQMSKHFKM-KRWDZBQOSA-N 395.415 1.996 0 50 GDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(C(F)(F)F)c2)n(C)c1=O 851756 UFDOEPNIYPWZNG-UHFFFAOYSA-N 381.314 1.091 0 50 GDAA biogenic CC(C)[C@H](O)c1nnc2ccc(C(=O)NCCn3nnc4ccccc43)cn12 2356165128 VATUZUURQKTQRB-KRWDZBQOSA-N 379.424 1.593 0 50 GDAA COc1ccc(CN2CCC[C@@]23CCCN(CCO)C3=O)cc1OCC(=O)O 2356169457 BWBNFKLMVFOAAJ-HXUWFJFHSA-N 392.452 1.108 0 50 GDAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)s1 23232187 ZHLQEXKMBPSSNE-CYBMUJFWSA-N 382.449 1.864 0 50 GDAA COc1ccc(CN2CCN(Cc3cnc(N)nc3)C[C@H]2CCO)c(C)c1C 104379827 DGCVENWIKBRBMX-LJQANCHMSA-N 385.512 1.753 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 67740205 RJKODZSISJTVMV-QRWLVFNGSA-N 389.459 1.893 0 50 GDAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C[C@H]3CNC(=O)O3)CC2)cc1 67955263 ZGDFTUYUDJHMMT-QGZVFWFLSA-N 399.451 1.889 0 50 GDAA CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@H]2CC(=O)OC)c(C)o1 39362534 KWCJEQJMZYUUPR-MRXNPFEDSA-N 387.436 1.912 0 50 GDAA Cc1cc2n(n1)CCCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2 67724494 ARYMVJSQGCSAHP-QFIPXVFZSA-N 382.508 1.993 0 50 GDAA O=C1CCC2(CCN1)CCN(C(=O)CCc1nc(-c3ccncc3)no1)CC2 67869315 HEVPRITWCONLAL-UHFFFAOYSA-N 383.452 1.973 0 50 GDAA COC(=O)c1cccc([C@@H]2CC(=O)NCc3nc(N4CCOCC4)sc32)c1 65407713 YAVGSYNIGSOPPD-AWEZNQCLSA-N 387.461 1.918 0 50 GDAA C[C@@H](Cn1cncn1)C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67880643 SVBJAIFQPIBZSA-AWEZNQCLSA-N 381.440 1.194 0 50 GDAA Cn1cnc(NC(=O)c2cccc(CN3CCN(C(=O)C(C)(C)C)CC3)c2)n1 65427286 QBSIYCFUYFEBMV-UHFFFAOYSA-N 384.484 1.758 0 50 GDAA NS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3cccs3)CC2)c1 30990115 OWWVQZXKHOSLTB-UHFFFAOYSA-N 380.495 1.745 0 50 GDAA COc1ccc(-c2[nH]ncc2CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 216183074 SKRXTPJEZMKOLL-UHFFFAOYSA-N 386.433 1.663 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2F)C1 126119451 VISSVDFMTDBNKK-CQSZACIVSA-N 386.427 1.744 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3cccc(F)c3)cc2)n1 215906656 HCKFFBIPEVMVMR-INIZCTEOSA-N 380.383 1.330 0 50 GDAA Cc1ccn(-c2cc(NCCNS(=O)(=O)c3cccc(F)c3)ncn2)n1 72115829 UVZXSFURUZBUNX-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)c3ccccc3-n3cncn3)C2)CCC1=O 77322405 BSHQSTIOUBQXLG-NRFANRHFSA-N 397.479 1.759 0 50 GDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)c1 215827550 XUMKXVIYCUIGMW-HNNXBMFYSA-N 379.482 1.164 0 50 GDAA Cn1ncnc1[C@@H]1COCCN1C(=O)Cc1cccc(OCc2cccnc2)c1 375180519 MCJGVYXLTYQHAV-IBGZPJMESA-N 393.447 1.932 0 50 GDAA CCNS(=O)(=O)c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 17078722 PTUPXXRYFFIKJZ-UHFFFAOYSA-N 385.511 1.521 0 50 GDAA O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@@H]1Cc2cc(F)ccc2O1 131083370 QVQSZCPJPKBTFG-INIZCTEOSA-N 387.415 1.762 0 50 GDAA CC[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C 242324468 ZBMYHWWWIPYQAF-HUUCEWRRSA-N 379.505 1.929 0 50 GDAA Cc1nn(C(C)C)c(C)c1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 221438644 AWJAICHPXWTKFC-IBGZPJMESA-N 388.516 1.805 0 50 GDAA COc1cccc(N2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)c1 237513329 AWRVLUBFVZGLGM-UHFFFAOYSA-N 384.484 1.482 0 50 GDAA CN1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1 95360708 RCSLQZOWSKFVFC-OAHLLOKOSA-N 383.539 1.248 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1 92066813 BPPCFMQQMPTTFL-QGZVFWFLSA-N 381.480 1.802 0 50 GDAA O=S(=O)(C[C@H]1COCCO1)N1CCn2nc(Cc3ccccc3)cc2C1 97696377 HFUHZBVBHQKRCE-GOSISDBHSA-N 377.466 1.035 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H]2c2ccccc2)cc1 239121205 JMRKYWBFPGUVEA-QGZVFWFLSA-N 380.491 1.960 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 238065479 QUHWDIUVIBHBSY-ZDUSSCGKSA-N 394.225 1.625 0 50 GDAA Cc1nn(CC(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)c(C)c1Cl 244695595 JPFSIUDFIGJHCV-BETUJISGSA-N 379.896 1.406 0 50 GDAA C[C@H]1C[C@]2(CO)O[C@@H]2C[C@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 257357342 NOAXTBKBXYRAED-CWKRJGQWSA-N 383.510 1.529 0 50 GDAA CCCSc1ccc(NC(=O)N2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)cc1 299789935 AEUCJEHPVYRGEF-HNNXBMFYSA-N 376.482 1.705 0 50 GDAA CN(C)C1(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]c3cnccc23)CCC1 1875332397 QJEQBIVNHKSYQK-MRXNPFEDSA-N 383.496 1.697 0 50 GDAA CC(C)Oc1ccc2c(c1)CC[C@H]2NC(=O)Cn1cnc2c(cnn2C)c1=O 1875313091 HDTATPNDEWUQJT-QGZVFWFLSA-N 381.436 1.721 0 50 GDAA COc1nccc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c1Br 1875402368 DSVDZGWBMYBHPR-RAIGVLPGSA-N 395.257 1.619 0 50 GDAA CCc1nnc(CNC(=O)[C@@]2(O)CCc3cc(Br)ccc3C2)o1 952994720 JETHDYUFFOPVCC-MRXNPFEDSA-N 380.242 1.931 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 952873223 XIOCBZDJKHFZLB-CQSZACIVSA-N 393.407 1.053 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@@H](CNC(=O)c4ccoc4)C3)cc2)n1 952974621 FFZXXOFSTNBCJG-AWEZNQCLSA-N 394.435 1.752 0 50 GDAA CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H](n2ccnn2)C1 886075138 CDOGRBADPKYCCK-CYBMUJFWSA-N 378.458 1.397 0 50 GDAA CCOCCCC(=O)N1CC[C@]2(NC(=O)c3ccc(OC)nn3)CCC[C@@H]12 1775991622 LIAJSFXHOIWELY-DNVCBOLYSA-N 376.457 1.555 0 50 GDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 275280442 KKTMRQPJCONSOQ-SMDDNHRTSA-N 392.441 1.119 0 50 GDAA CN(C(=O)c1cccc(S(=O)(=O)N(C)Cc2cc[nH]n2)c1)c1ccccn1 408525199 PCIAKXYUCVOJBN-UHFFFAOYSA-N 385.449 1.902 0 50 GDAA CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1ccc(C(=O)NC)cc1 195198437 RHJKHDJSEIFBPH-UHFFFAOYSA-N 385.449 1.694 0 50 GDAA O=C1OCc2ccc(S(=O)(=O)N3CCN(c4ncccc4F)CC3)cc21 761321012 HISPOVCHRVWUMP-UHFFFAOYSA-N 377.397 1.402 0 50 GDAA C[C@@H](Cn1cncn1)NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704302888 CWCUCIRUYWAWQE-AWEZNQCLSA-N 382.424 1.588 0 50 GDAA Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1 1049743 UVQFONZPVFFFCZ-UHFFFAOYSA-N 384.421 1.556 0 50 GDAA O=C(O)c1ccc(N2CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC2)cc1 1704340170 PBLGLXPRSVZHIG-QGZVFWFLSA-N 383.452 1.463 0 50 GDAA O=C(NC[C@H](O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1068098 QWXRPDXBKFFMMM-SFHVURJKSA-N 390.461 1.171 0 50 GDAA NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(I)cc2)S1 1133111 DVMHDELLLIBJDD-QMMMGPOBSA-N 375.191 1.577 0 50 GDAA CCOCCC(=O)N1CCC[C@@]2(C(=O)NCc3cscn3)CCN(C)C[C@H]12 1775981838 IYYPKVDDBVRLBX-QFBILLFUSA-N 394.541 1.499 0 50 GDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN[C@H](C)COC 12168003 AEWPGJCHVZANPA-CYBMUJFWSA-N 375.425 1.945 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)o1 12306975 BYWBPKJUFQWALJ-OAHLLOKOSA-N 399.447 1.949 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N3C[C@@H]4CC[C@H](C3)[C@H]4NS(C)(=O)=O)c2n1 1857694998 OPRNDZPBDSXLGQ-MIFYACCESA-N 391.497 1.054 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCc3noc(-c4ccccc4)n3)CC2=O)s1 1857727238 NNVMVSNPCABHBW-GFCCVEGCSA-N 384.421 1.566 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2ccncc2C)C[C@H]1NC(=O)C1(C)COC1 1875246962 OJNKJWGTUDLDLF-USXIJHARSA-N 375.469 1.343 0 50 GDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 328633906 SVIQDUPRTQTQLA-RIEGTJTDSA-N 379.438 1.852 0 50 GDAA Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@@](O)(C(=N)O)C3)cs2)c1C 329010933 DMDZPJGOGGDIAF-KRWDZBQOSA-N 377.470 1.383 0 50 GDAA O=C1O[C@H](CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC12CCC2 241644168 POVDIIYWXBBTAH-ZDUSSCGKSA-N 398.506 1.680 0 50 GDAA CC1(C)C(=O)NCCN1C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 264614521 AMZVUALLVXRFIE-INIZCTEOSA-N 387.480 1.431 0 50 GDAA Cc1ccc(N2CCNC2=O)cc1NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 834662922 IQORONXWHRMJEZ-LLVKDONJSA-N 380.412 1.446 0 50 GDAA O=C1C[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)N1 2325782718 YYZGVBUZHRTLSO-STQMWFEESA-N 380.242 1.439 0 50 GDAA O=C1CCC[C@H](C(=O)N2CC3CC2(CNC(=O)C(C2CCC2)C2CCC2)C3)N1 2325793930 LXHPZNSVHRSCJY-XKZIZAOGSA-N 387.524 1.979 0 50 GDAA C[C@@H](CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1)[C@@H](C)O 2325799364 QQFLBUXRIOCSKQ-UONOGXRCSA-N 390.509 1.692 0 50 GDAA CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 802533 HZNGEPIKURTMEC-UHFFFAOYSA-N 380.397 1.856 0 50 GDAA CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 2861394 KAHBTDGMUYLGIF-UHFFFAOYSA-N 377.491 1.993 0 50 GDAA COc1ccc(CCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1OC 2951920 GFPWFOMZDNXQEH-UHFFFAOYSA-N 383.404 1.066 0 50 GDAA biogenic Cc1nn(C)cc1CN(C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11816728 NFMKNQJJLVPMCY-FQEVSTJZSA-N 392.450 1.992 0 50 GDAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 13571012 QSXCKSJYFKUQHC-ZDUSSCGKSA-N 376.416 1.919 0 50 GDAA biogenic O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3ccc(F)cc3)C[C@H]12 14534088 IBZOYITWAHAXJG-QZTJIDSGSA-N 397.406 1.578 0 50 GDAA CN(C)CC(C)(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 14953372 LHXYZFALKBBPHN-KRWDZBQOSA-N 378.492 1.220 0 50 GDAA COc1cc2ncn(CC(=O)NC[C@H](O)c3ccccc3)c(=O)c2cc1OC 20722973 PBQWQYDQPPQCLC-INIZCTEOSA-N 383.404 1.264 0 50 GDAA CN(Cc1cnccn1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71404138 IPRQMRHZQIOVOK-QGZVFWFLSA-N 385.512 1.548 0 50 GDAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cn1 71738523 IYOOYJCPTORDMR-UHFFFAOYSA-N 378.406 1.476 0 50 GDAA CN1CCN(S(=O)(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)CC1 72161415 FGWITLSCXSBVOH-SFHVURJKSA-N 379.526 1.393 0 50 GDAA Cc1nn(CC(=O)NCCc2cnc3ccccn23)c(=O)n1-c1ccccc1 77299940 JSKYWEYTRDUMKI-UHFFFAOYSA-N 376.420 1.349 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(C(=O)N3CCCC3)CC2)C1)N1CCOCC1 82100184 UBTXBSYRMXZPQG-QGZVFWFLSA-N 378.517 1.237 0 50 GDAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3nc(C)cc(C)n3)C2)cc1 91574428 BOEZZVDIQHZADK-SJORKVTESA-N 381.480 1.882 0 50 GDAA CN(C)[C@@H](C(=O)N1CCC(N2CCNC(=O)CC2)CC1)c1ccccc1F 95356953 XECFQCZGTDDVJH-LJQANCHMSA-N 376.476 1.241 0 50 GDAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1c(=O)[nH]c3ccccc31)C2 95358374 UJFXPKGAXNVJGO-DOTOQJQBSA-N 396.491 1.969 0 50 GDAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCC[C@@H](c2ncn[nH]2)C1 95496952 KBAJXIIVWLILGE-GFCCVEGCSA-N 378.458 1.896 0 50 GDAA O=C(CCC1CCN(C(=O)c2cnc[nH]c2=O)CC1)NCc1ccc(F)cc1 95497678 BEZBKMHKTHGROC-UHFFFAOYSA-N 386.427 1.858 0 50 GDAA C[C@H](Cn1cncn1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95512263 ILEJTEHHTVISJB-MRXNPFEDSA-N 379.468 1.960 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H]2CNCCO2)cc1 95526115 OATCJAKDMNVJSM-FQEVSTJZSA-N 375.513 1.397 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CSCC2CC2)CN1C(=O)c1ccoc1 96136493 QBQQCHRVRCQPTF-GJZGRUSLSA-N 379.482 1.258 0 50 GDAA COCCN1C[C@H](CNC(=O)Nc2cc(-n3cnnc3)ccc2F)CC1=O 96139028 SDOJNSVKUYMEBC-LBPRGKRZSA-N 376.392 1.023 0 50 GDAA Cc1ccc(NC(=O)NCCSc2ncn[nH]2)cc1NC(=O)CN(C)C 96154064 JCMPHTMTSFROPV-UHFFFAOYSA-N 377.474 1.527 0 50 GDAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 102832853 FHXIIAAXNMBPTF-UYELZLHISA-N 381.476 1.269 0 50 GDAA COc1cccc(NC2CCN(C(=O)CCn3nc4ccccn4c3=O)CC2)c1 127894026 JSMIVQLKIYUAMS-UHFFFAOYSA-N 395.463 1.998 0 50 GDAA CC[C@H](C)NC(=O)CN1CCN(C(=O)c2[nH]cnc2C(=O)c2ccccc2)CC1 170600179 KOKDPDBEIKYYRS-HNNXBMFYSA-N 397.479 1.313 0 50 GDAA CCn1cnc2c(c1=O)CCN(C(=O)[C@H]1CCCCN1C(=O)c1ccco1)C2 170614454 ZELWPPVBQYEYKI-MRXNPFEDSA-N 384.436 1.436 0 50 GDAA CN(C)C1CCN(CCNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 177140487 GJVYNGVCXYQEKV-GOSISDBHSA-N 392.931 1.835 0 50 GDAA CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 182437793 SAQLSDDGZPFXNG-SJLPKXTDSA-N 388.512 1.139 0 50 GDAA Cc1[nH]nc(C(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)c1Cl 221315362 JSOACTIXZWJIEF-OAHLLOKOSA-N 375.820 1.039 0 50 GDAA C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@]1(C(=O)O)CCSC1 262120838 ITJLMWCWJUTXOX-QLJPJBMISA-N 386.470 1.962 0 50 GDAA O=C(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 262135105 OFOQFLIZVFNGMO-UHFFFAOYSA-N 380.466 1.167 0 50 GDAA CC(=O)N[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(Br)cc1 262898457 PMAJBXOUANAXCV-ZIAGYGMSSA-N 399.241 1.328 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)cc2)co1 288859707 FXLLPYMJUPYAST-CYBMUJFWSA-N 389.437 1.630 0 50 GDAA O=C(NCc1nc(C(=O)O)cs1)c1ccc(Cl)c(N2CCNC2=O)c1 299751514 QUCYVMMREKIDTG-UHFFFAOYSA-N 380.813 1.954 0 50 GDAA Nc1c(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)ncnc1-n1cccn1 301787895 QCRSJJKGOXDQBQ-MRXNPFEDSA-N 393.451 1.765 0 50 GDAA Cn1nccc1N1CCC[C@@H](N(C/C=C/c2ccccc2)S(C)(=O)=O)C1=O 328609531 DTCNMLKNWHXBBD-DKISHCGFSA-N 388.493 1.891 0 50 GDAA CC(C)c1ocnc1CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O 328612048 NQEWARLHAJBPOY-AWEZNQCLSA-N 395.485 1.489 0 50 GDAA Cc1cc(NC(=O)CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n([C@H]2CCS(=O)(=O)C2)n1 328882054 WWWZPSQZFOHMQX-SMLCLMEVSA-N 392.525 1.468 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2csc3ccccc23)[C@H]2CCOC[C@@H]21 333925520 UQZAMISBDFTELX-JSGCOSHPSA-N 387.504 1.478 0 50 GDAA COc1cc2c(cc1CN1CC[C@]3(OC)CC[C@H](OCCO)C[C@H]13)OCO2 426412771 LXXNVPJFLUIVIT-RYGJVYDSSA-N 379.453 1.945 0 50 GDAA CCc1cc(-c2ccc(C(=O)NCCS(C)(=O)=O)cc2)nc(N(C)C)n1 426689897 QOIQITUNBOBLHQ-UHFFFAOYSA-N 376.482 1.546 0 50 GDAA CCOc1ccc(-c2ccc(C(=O)NC3CCN(CC(N)=O)CC3)cc2)nn1 534586392 IDXCNXIMTDSHRY-UHFFFAOYSA-N 383.452 1.222 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)O[C@H]2CCC(=O)NC2)C1 809017199 WHFWWZWAFMFULK-STQMWFEESA-N 392.456 1.960 0 50 GDAA CCNC(=O)[C@H](C)NCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 864097402 RTPWRFLOSQRALM-AWEZNQCLSA-N 386.477 1.888 0 50 GDAA CCN1C[C@@H](CN(C)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1=O 952981778 PEAAPOTVUXBBEA-GFCCVEGCSA-N 387.461 1.894 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C3CSCCSC3)CC2)cc1 1506431764 YGOHOHVCSYROCM-UHFFFAOYSA-N 388.580 1.850 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1 1565527337 YGWBEMLECGKBKY-ROUUACIJSA-N 390.461 1.438 0 50 GDAA CCn1cc(CN2C[C@H]3CN(C(=O)NCc4cccs4)C[C@]3(CO)C2)cn1 1772806443 YJHMTHXTFQEGIK-LPHOPBHVSA-N 389.525 1.600 0 50 GDAA COC(=O)c1cc(=N)[nH]c(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)n1 1857674062 POYMGFUARMVYPJ-FQEVSTJZSA-N 396.451 1.533 0 50 GDAA COc1cc(Oc2cc(C(=O)NC[C@H]3CNC(=O)C3)ccc2OC)ccc1CN 1857687063 JTJJNADVMWXWFR-CYBMUJFWSA-N 399.447 1.821 0 50 GDAA COCCCN1CCOC2(CCN(C(=O)Cc3ccsc3)CC2)CC1=O 1857687224 LVTCWTFYSNMILL-UHFFFAOYSA-N 380.510 1.937 0 50 GDAA CCn1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c(C)n1 1857721960 AENQMYJSCANPFT-PMACEKPBSA-N 399.495 1.521 0 50 GDAA Cc1ccc(CCS(=O)(=O)NC(=O)CN2CCc3ccccc3C2=O)cc1 1875285652 VBCACHRVVBAJST-UHFFFAOYSA-N 386.473 1.682 0 50 GDAA Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCNC[C@H]2c2cn[nH]c2)cc1 1875292649 OOOAVQQQWQGSGQ-PBHICJAKSA-N 387.509 1.951 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cccc3c2CCOC3)ncn1 1875398242 INRYCVVPDQVKJQ-QZTJIDSGSA-N 383.496 1.663 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@H](CS(N)(=O)=O)C3)ncnc21 2100543846 ZGAWNEVPFMOVJE-CQSZACIVSA-N 394.545 1.940 0 50 GDAA CC1(c2ccc(Br)cc2)CN(C(=O)CC2CC(=O)NC(=O)C2)C1 2325781151 PZUMTHUVZNHWEY-UHFFFAOYSA-N 379.254 1.992 0 50 GDAA CN1CCc2ccc(C(=O)N3CCC(C[C@@H]4OCC[C@@H]4C(N)=O)CC3)cc2C1 2325813227 ZVSVBLNQUJAWQQ-PMACEKPBSA-N 385.508 1.807 0 50 GDAA CCC1(C(=O)N[C@@H]2CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C2)CCC1 2325839524 WJVCNWZUWKHQIB-RRFJBIMHSA-N 387.546 1.294 0 50 GDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 2356157771 QBVVONZNLFSENQ-FQEVSTJZSA-N 375.436 1.881 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1 2356157955 UCJXKTWFLKOOTG-MRXNPFEDSA-N 382.464 1.940 0 50 GDAA Cn1cc(NC(=O)CN2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)cn1 2356167803 CMORMJSERARWQD-HXUWFJFHSA-N 382.468 1.411 0 50 GDAA O=C(O)c1n[nH]cc1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356169260 XYOLIAZFPDWNDF-DOXZYTNZSA-N 376.457 1.368 0 50 GDAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1C 134365933 BBIPNUHAUFDRGY-QGZVFWFLSA-N 394.537 1.891 0 50 GDAA CC(C)CCC1=NC(=O)C2(CCN(C(=O)CCN3CCCCC3=O)CC2)N1 55107512 BNLCBIYKWMKWNV-UHFFFAOYSA-N 376.501 1.715 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)c2cn3cc(Cl)cnc3n2)CC1 67489814 QCKZHJVGVUCOTL-UHFFFAOYSA-N 385.859 1.460 0 50 GDAA COc1ccc2c(c1OC)CC[C@H]2NCCN1CCN(c2ncccn2)CC1 252509249 YHZBJCSCUAPHQO-GOSISDBHSA-N 383.496 1.893 0 50 GDAA O=C([C@H]1CCCNCC1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67871659 WOGJDBUOVNFYBT-SFHVURJKSA-N 383.496 1.715 0 50 GDAA CC(C)n1cc(C[C@H]2N=C(O)N(CC(=O)N(C)Cc3cccs3)C2=O)nn1 328614060 VDMQTKUHPFAKOD-CQSZACIVSA-N 390.469 1.246 0 50 GDAA COc1ccnc(N2CCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)n1 329112458 RJJFPWFUZBFHTJ-UHFFFAOYSA-N 396.451 1.966 0 50 GDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccc(O)cc3)c2)CC1 71763949 MVXORKOGNZFPMT-UHFFFAOYSA-N 376.434 1.694 0 50 GDAA Cc1ncc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c(=O)[nH]1 72157260 XCTHKIZBKBJCSJ-MRXNPFEDSA-N 376.416 1.762 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 77406308 OBPXSZWJSMHINA-OZIGNCPNSA-N 393.443 1.924 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 238076404 UQMBESWRBRFWMN-MFKMUULPSA-N 381.226 1.878 0 50 GDAA CC(C)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 72424732 WHPSHJVYZSKNKQ-CABCVRRESA-N 384.885 1.446 0 50 GDAA CCc1nccn1CCC(=O)N1CC2(CCN(C(C)=O)CC2)C[C@H]1C(=O)O 72479284 MNBFOWKVXVUDQJ-HNNXBMFYSA-N 376.457 1.150 0 50 GDAA Cc1c(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)n[nH]c1-c1ccccc1 426503196 ZWIPGQTZQXRFTE-UHFFFAOYSA-N 381.480 1.812 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N=c3[nH]c4ccccc4[nH]3)n2)cc1 44892853 CPFXCAJZAWPEKW-UHFFFAOYSA-N 375.388 1.856 0 50 GDAA CCSc1ncc(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cn1 91988546 HZTYIOZKDPLIJT-IBGZPJMESA-N 380.558 1.884 0 50 GDAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)o1 95497651 KNJPXWLCCGLFLF-HNNXBMFYSA-N 386.452 1.631 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)c1 426494526 ZNHDYFWRSAJWQE-HNNXBMFYSA-N 383.452 1.534 0 50 GDAA O=C(c1cccc(OC2CCN(CCn3cnnc3)CC2)c1)N1CCOCC1 95525575 BFHCHAORJWHEPU-UHFFFAOYSA-N 385.468 1.294 0 50 GDAA Cc1ccc(C(=O)NCCCc2nnc3ccccn23)cc1N1CCNC1=O 91690576 PTILOQDLUJIUNC-UHFFFAOYSA-N 378.436 1.930 0 50 GDAA CN1CCN(C(=O)c2ccc(CO)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 95383382 KNSJUYJWIVHJGM-QFIPXVFZSA-N 385.508 1.728 0 50 GDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1n[nH]c3ccccc13)CC2 91364608 IQFSWRMCXFKZCQ-UHFFFAOYSA-N 378.436 1.822 0 50 GDAA O=C(C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1cccnc1 252570820 XICDSHBXZLHKFJ-GOSISDBHSA-N 391.431 1.937 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 1940196139 MVGLKEVIHUADBR-GWCFXTLKSA-N 395.403 1.733 0 50 GDAA O=C1CO[C@@H](CNc2ncnc3[nH]cnc23)CN1CC1CCN(CC2CC2)CC1 299785212 JSUXORVKCLMGPV-INIZCTEOSA-N 399.499 1.114 0 50 GDAA O=S(=O)(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)N1CCCCCC1 828388882 ZKUWDXAZHFMGNK-RYTJFDOTSA-N 380.518 1.431 0 50 GDAA Cc1cc(C)n(CCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2C)c(=O)n1 827752815 NZTPFUBHVYXNDT-SFHVURJKSA-N 398.463 1.716 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)CCN1Cc2ccccc2C1=O 824595815 CJLLBVBLJQIGGX-UHFFFAOYSA-N 378.392 1.656 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 268998946 XURBPUACWXCMCP-GFCCVEGCSA-N 376.390 1.393 0 50 GDAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cn(C[C@H]2CCCNC2)nn1 670437305 ROMHELVUBGBNOC-INIZCTEOSA-N 379.468 1.436 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H](C)O2 1875286392 SIHZTGVKFOJLBO-GOSISDBHSA-N 385.508 1.913 0 50 GDAA COCc1ccsc1C(=O)N[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 1875344619 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0 50 GDAA COCCN1CCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)CC1 23339419 HKNDVQBNJNRQFT-UHFFFAOYSA-N 387.436 1.860 0 50 GDAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Br)cn1 35898048 RESHZORIXPTKKK-CYBMUJFWSA-N 397.273 1.106 0 50 GDAA CN(C)C(=O)[C@@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)CCO1 67674533 HZMQPRLFPGOHTM-HNNXBMFYSA-N 377.372 1.322 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)CCN1 67855955 RXZVZHFSYQYOBZ-UHFFFAOYSA-N 381.436 1.096 0 50 GDAA O=C(NCCN1CCNC1=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67885609 JBFGSCCPVHLUAE-UHFFFAOYSA-N 384.436 1.887 0 50 GDAA O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)[C@H]1CC2(CCNCC2)CN1 72123877 SDTNLLCDFYSORU-LJQANCHMSA-N 392.494 1.777 0 50 GDAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCO)n2C(C)C 77489535 FBEQQKRSXUAGEI-UHFFFAOYSA-N 396.513 1.345 0 50 GDAA COCCc1noc([C@H](C)NC(=O)c2cnc(-c3cccc(C)c3)[nH]c2=O)n1 82092064 QOLVEAPHPLJUGD-LBPRGKRZSA-N 383.408 1.808 0 50 GDAA CCC[C@@H]1CN(C(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)C[C@H]1N(C)C 82107381 IVCZXQBNEXUCDA-IEBWSBKVSA-N 393.553 1.724 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JIDGDQWPYWNDNN-MSOLQXFVSA-N 381.480 1.857 0 50 GDAA O=C(NCCc1cnc[nH]1)[C@@H](c1ccccc1)n1c(O)nc2ccccc2c1=O 888089252 QVSGSFOAPDRXFN-GOSISDBHSA-N 389.415 1.774 0 50 GDAA CCc1noc(C)c1CN1CCC[C@]2(CC(=O)NN2C(=O)c2cnc(C)[nH]2)C1 888103460 IXBSFDKHHWXJQC-IBGZPJMESA-N 386.456 1.489 0 50 GDAA CC(=O)c1[nH]c(C)c(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1C 952962280 AAZYKRMAVBFPAN-UHFFFAOYSA-N 395.525 1.606 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cs1 952981057 ULGOFZZTMJGKIV-HNNXBMFYSA-N 393.534 1.785 0 50 GDAA O=C(c1cncc(N[C@H]2CCCN(C(=O)c3ccco3)C2)n1)N1CCOCC1 1506428876 RFIJZPUFDPFJEJ-AWEZNQCLSA-N 385.424 1.259 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(C)ncc2O)cc1OC 1529126412 JCNGWINVNFOKMS-RTBURBONSA-N 388.420 1.687 0 50 GDAA COc1cccc([C@@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)c1 1529187237 QCNCYYYEEJPQHL-FQEVSTJZSA-N 393.447 1.957 0 50 GDAA CN(C(=O)NCCCSCc1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565514748 YUHBEGABYDHVQK-GJZGRUSLSA-N 390.502 1.248 0 50 GDAA OC1CCN([C@H]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2O)CC1 1565529150 HMXFHWJUWSFDOS-PMACEKPBSA-N 384.480 1.661 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3CC[C@H](C(=O)O)[C@H](O)C3)c(C)s2)n[nH]1 1704307142 URPAGJNTOROKBH-CMPLNLGQSA-N 385.467 1.211 0 50 GDAA Cc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)Cc2ccccc2C)C3)cn1 1772703521 XTQUPWMMYCNKSG-FPOVZHCZSA-N 380.492 1.995 0 50 GDAA Cn1cnc(C(=O)N2C[C@H]3COC[C@@H]2CN(Cc2cccc4[nH]ccc24)C3)c1 1772703807 IRLBIQHOKDRMCF-RDJZCZTQSA-N 379.464 1.874 0 50 GDAA CC[C@@H](C(=O)Nc1nccs1)N1CCCN(C(=O)c2cnc(C)cn2)CC1 1772710283 PZFQIMBKZXHTLQ-HNNXBMFYSA-N 388.497 1.807 0 50 GDAA O=C(c1ccccc1)N1C[C@H]2CN(c3ncc4c(n3)CCCC4)C[C@]2(CO)C1 1772812200 INOHTCJJJRVUSN-AVRDEDQJSA-N 378.476 1.926 0 50 GDAA O=C(NCCCN1CCOCC1)c1cc2c(s1)CCOC21CCNCC1 1857686103 IDZUUCOTVLBJTC-UHFFFAOYSA-N 379.526 1.352 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1857713158 ZBXDPNSDHXATOR-HNNXBMFYSA-N 382.420 1.241 0 50 GDAA O=C(c1cnc2cccnn12)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857731201 CGOYHLGTUNPBHG-FVJLSDCUSA-N 389.415 1.644 0 50 GDAA O=C(NCCc1cnc[nH]1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857733021 REYITELEPOCVJV-AWEZNQCLSA-N 396.476 1.564 0 50 GDAA Cc1cccc(CC(=O)N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)c1 1875240856 IFTQYOHTEHVMDH-DODZYUBVSA-N 378.494 1.093 0 50 GDAA C[C@@H]1N(C(=O)CCS(=O)(=O)c2ccccc2)CCC[C@@]12CCCNC2=O 1875243847 APMTXMBOGOYPLM-KXBFYZLASA-N 378.494 1.758 0 50 GDAA COc1ccc(F)cc1C(=O)N1C[C@H](CNC(=O)C[C@@H]2CCNC2=O)C[C@H]1C 1875334873 ITYNZYQFFWNSCB-RDBSUJKOSA-N 391.443 1.327 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)Cc2noc3ccccc23)CC1 1940195804 OAFLQBSICIFJMN-UHFFFAOYSA-N 379.420 1.785 0 50 GDAA COc1ccc(Cn2nc(C)cc2NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 2356135232 VBDKAQYRCGOMPP-CQSZACIVSA-N 393.465 1.630 0 50 GDAA Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1C 1174625 TZDRJESSZUQJBY-UHFFFAOYSA-N 375.450 1.807 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCN4CCNC(=O)[C@H]4C3)ncnc21 2356134314 IZDBQKAELGVDFZ-MRXNPFEDSA-N 385.516 1.445 0 50 GDAA COC(=O)[C@H](C)NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 8990115 MATFWHFBQMJLQC-AWEZNQCLSA-N 386.452 1.516 0 50 GDAA CN(C)CCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 10111401 BOMJIZVNMFSBAY-UHFFFAOYSA-N 392.319 1.283 0 50 GDAA O=C1OCc2ccc(S(=O)(=O)N3C[C@H](c4ccsc4)[C@@H](CO)C3)cc21 328608731 BDBDYELQHPKRLP-CZUORRHYSA-N 379.459 1.815 0 50 GDAA CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 154463690 MTNOZYQUXYLLBE-CQSZACIVSA-N 376.482 1.613 0 50 GDAA CCOC(=O)N1CCN([C@H]2CCCN(c3cncc(C(=O)OC)n3)C2)CC1 72161938 YASSGJPXXOHDIE-AWEZNQCLSA-N 377.445 1.006 0 50 GDAA CNC(=O)[C@H](NC(=O)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 372361796 VFVSMJJQPYXYJQ-KNQAVFIVSA-N 392.459 1.186 0 50 GDAA CCCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2 77287111 LDGJQWLUQAQKOP-UHFFFAOYSA-N 380.533 1.626 0 50 GDAA CSCC[C@H](N)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 262719466 YFEGXDHIDPCGEO-IRXDYDNUSA-N 378.542 1.081 0 50 GDAA O=C1CC[C@H](NC(=O)NCc2ccc(-n3cccn3)cc2)[C@H]([C@H]2CCCO2)N1 377350915 RYLXQKNNDOCMTR-YQVWRLOYSA-N 383.452 1.498 0 50 GDAA CCN1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3noc(C)n3)cc2C1=O 72476322 CWTJUZJPQPOTFH-MRXNPFEDSA-N 383.452 1.748 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95523618 RLVQCXMFIDDRBJ-UHFFFAOYSA-N 394.479 1.548 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c3c2CCC3)cc1 96166519 SBIVAYINPFAKBK-UHFFFAOYSA-N 377.470 1.908 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95518040 AHOVBEOSNGWVDS-MRXNPFEDSA-N 380.456 1.418 0 50 GDAA CN1CCC(CN2CCN(C(=O)[C@@H](c3ccc(F)cc3)N(C)C)CC2)CC1 95360491 DBFYBSBPTWRAGY-HXUWFJFHSA-N 376.520 1.914 0 50 GDAA CC(C)[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95521785 UZUVZGCJBJEHPZ-DLBZAZTESA-N 383.514 1.082 0 50 GDAA COCC(=O)N1CCC[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1 95501188 LTKPQXLZZWWOPK-CYBMUJFWSA-N 393.509 1.220 0 50 GDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCCn2cccn2)CC1 96163396 FKDHZGMYDUTXRU-UHFFFAOYSA-N 385.516 1.794 0 50 GDAA COc1cccc(CN2C[C@H](c3nc(CN4CCOCC4)no3)CCC2=O)c1 91651645 HBIPGMCOJSYGHH-MRXNPFEDSA-N 386.452 1.817 0 50 GDAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)C1 91474778 ZZVVDGYBWMLZGN-OLZOCXBDSA-N 377.872 1.814 0 50 GDAA C[C@H]1CCCN(C[C@H](C)NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)C1 299181580 SKCSSAWQZAXPFC-GJZGRUSLSA-N 382.530 1.978 0 50 GDAA Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1C(=O)O 185099373 USJMWRHDWDYZJZ-SNVBAGLBSA-N 385.392 1.559 0 50 GDAA CN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 43056963 AXEANIWNYARPGT-SFHVURJKSA-N 383.496 1.202 0 50 GDAA CCCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 670467400 WDOUSUNFJCMSKG-UHFFFAOYSA-N 381.483 1.601 0 50 GDAA O=C(NC[C@H]1COCCN(C(=O)Cc2cncc(O)c2)C1)c1cccc(F)c1 1875331843 WMBSTSFVBRBDND-OAHLLOKOSA-N 387.411 1.374 0 50 GDAA O=C(c1cnc2c(c1)OCCN2)N1CCC2(CC1)C(=O)NCc1ccccc12 1875322547 WFMNYKWHAINBCD-UHFFFAOYSA-N 378.432 1.690 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCC=C(c3ccncc3)C2)ncn1 1875398144 DAYWVIBHHFJEGY-RTBURBONSA-N 380.496 1.667 0 50 GDAA CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1 1875399452 WUPOGSCHSXEBBB-KBAYOESNSA-N 378.498 1.063 0 50 GDAA CS(=O)(=O)N1CC[C@@H]1c1nnc(N2CCSCC2)n1Cc1cccs1 952895622 YTKQVKMGQFUWHY-CYBMUJFWSA-N 399.567 1.648 0 50 GDAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H](N)[C@H](c2ccnn2C)C1 1875287417 JTESQMHNMVTVRQ-NILFDRSVSA-N 375.860 1.145 0 50 GDAA NC[C@@H]1CCCc2ccc(C(=O)N3CCC[C@@H](NC(=O)[C@@H]4CCCNC4)C3)cc21 1875267317 RFTKGPUBCCIMIG-XUVXKRRUSA-N 398.551 1.786 0 50 GDAA Cc1ncsc1C(=O)NCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 952990028 VGURTJAGKKFAJB-HNNXBMFYSA-N 385.555 1.718 0 50 GDAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2cccc(-c3ccccc3F)c2)C1 952982490 ACAZVAHCMQQMCX-MRXNPFEDSA-N 392.452 1.883 0 50 GDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cc2ccc(C(F)(F)F)nc2)cn1 888092943 PKKSKYLRLLBBEK-WHDAMIPWSA-N 386.399 1.709 0 50 GDAA COC[C@@H]1[C@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@H]2CCO[C@@H]12 1565516652 UVFHMQICKOLKIQ-AAVRWANBSA-N 381.372 1.913 0 50 GDAA Cc1ncc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)n1C 1073392534 TVXGFOAIUZAETJ-GOTSBHOMSA-N 397.567 1.524 0 50 GDAA CC[C@]1(CO)CCCN1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 170603279 PFBKHKMYQZHNRH-LJQANCHMSA-N 378.425 1.435 0 50 GDAA COc1ccccc1N1CCC(NC(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 171057345 FRFJFVDYYKCQQE-INIZCTEOSA-N 384.484 1.878 0 50 GDAA Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)[nH]1 188975829 WYVXZKKZXAANBK-INIZCTEOSA-N 375.375 1.883 0 50 GDAA Nc1ncc(Cl)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 190587739 VVCVRCLYEXRMES-ZDUSSCGKSA-N 398.847 1.536 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(CCn3cccn3)CC2)[C@@H](c2ccccc2)N1 1529187279 QVSDCHRJVKTUJU-UXHICEINSA-N 382.464 1.768 0 50 GDAA O=C(COCc1ccccc1)N1CCCN(C(=O)[C@H](O)Cc2ccccc2)CC1 1529091035 MYAXAACNJMJYNB-OAQYLSRUSA-N 396.487 1.868 0 50 GDAA CC(C)(C(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1)N1CCOCC1 1704356595 GOHLRDMZNAKLLM-XLIONFOSSA-N 383.492 1.707 0 50 GDAA O=C1CO[C@]2(CCN(Cc3ccccc3OCCCCn3ccnc3)C2)CN1 1772806910 HAJSIMUVGUCJLJ-OAQYLSRUSA-N 384.480 1.833 0 50 GDAA Cn1c(O)nnc1CCNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772818393 RVNCPATUTVJSHN-LBPRGKRZSA-N 384.465 1.503 0 50 GDAA CCn1nc(-c2ccc(F)cc2)nc1[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1772807805 AZALHLZFSJQIKC-OAHLLOKOSA-N 398.446 1.887 0 50 GDAA COc1cccc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1 5029635 FCZQTSBBZLFFPO-GOSISDBHSA-N 383.404 1.766 0 50 GDAA aggregator Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN(C[C@H](O)CO)CC3)cc1 12155931 ZLPFELCWILVKET-HKUYNNGSSA-N 376.497 1.288 0 50 GDAA COCCCn1c(CN2CCC[C@@H](O)C2)cnc1S(=O)(=O)C1CCCC1 12298027 DTCRWCHIVZVEGP-MRXNPFEDSA-N 385.530 1.593 0 50 GDAA COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC 1843099 WNMJYKCGWZFFKR-CQSZACIVSA-N 389.456 1.351 0 50 GDAA biogenic,fda COCCn1cncc1CNC(=O)Cn1nc(-c2ccccc2)nc1[C@H](C)N 1857686008 DSWJASMYPYPSFB-AWEZNQCLSA-N 383.456 1.124 0 50 GDAA COC(=O)c1cc(C)nc(N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)n1 1857696265 UHBHUROLUZRESF-FQEVSTJZSA-N 398.467 1.618 0 50 GDAA CCCO[C@H]1C[C@@H](c2nc(CC(N)=O)nn2-c2ccccc2OC)CC[C@@H]1N 1857722526 KPNQKPPBRDVPSG-ZQIUZPCESA-N 387.484 1.694 0 50 GDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCOCCO)C3)nc2c1 1857732323 LUZGFUHLWROIRK-CQSZACIVSA-N 377.441 1.568 0 50 GDAA CCc1nc2c(s1)[C@H](N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)CCC2 330020753 ALBFRMLXQXRCCD-GXTWGEPZSA-N 385.555 1.660 0 50 GDAA CN[C@H]1CCCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 133641828 JXOUWODPGWGSQZ-NSHDSACASA-N 390.303 1.229 0 50 GDAA C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@@H](C)N1 154103758 NHKAOZLLNOLQGZ-AOOOYVTPSA-N 375.288 1.675 0 50 GDAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 157058856 PVUURPAWAGWFEX-OAHLLOKOSA-N 389.481 1.563 0 50 GDAA O=C(c1snc(O)c1Cl)N1CC(S(=O)(=O)c2ccccc2F)C1 375994367 VETBSIGDWDSICZ-UHFFFAOYSA-N 376.818 1.940 0 50 GDAA CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O 2325794256 WEGGSYAHBMPTMR-PMPSAXMXSA-N 377.529 1.373 0 50 GDAA CCc1ccccc1-n1cc(C(=O)Nc2cnccc2N2CCNCC2)nn1 2325801359 DBJUJZUYZKZJKR-UHFFFAOYSA-N 377.452 1.887 0 50 GDAA CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CC(CC(C)(C)CN)C3)ncn2)C1 2325812551 ZDHZQGXGPSMAJY-IRXDYDNUSA-N 376.549 1.443 0 50 GDAA Cc1nccc(C(=O)N2C[C@H](NC(=O)[C@H]3C[C@@H](n4cnnc4)C3)CC[C@H]2C)n1 2325872642 HSZKKXPDCRHNIR-MIGQKNRLSA-N 383.456 1.137 0 50 GDAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC 994007 BEJIIWJNKFCLRP-UHFFFAOYSA-N 378.406 1.781 0 50 GDAA O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NN1CCOCC1 1120866 GMFVEKKVJSBBNB-UHFFFAOYSA-N 378.432 1.817 0 50 GDAA C[C@]1(O)CC2(CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)OC[C@@H]1O 2356144840 OFHDCVNBXFSALY-ICSRJNTNSA-N 385.464 1.438 0 50 GDAA O=C(c1ccncc1)N1CCC(C(=O)N2CCc3nc(C4CC4)nn3CC2)CC1 2356169618 FBYWOBUUJCDHKN-UHFFFAOYSA-N 394.479 1.488 0 50 GDAA COCCCn1c(CN2CC[C@H](N(C)C)C2)cnc1S(=O)(=O)C1CCCC1 20999374 PGVQWFPUPHUXMC-INIZCTEOSA-N 398.573 1.772 0 50 GDAA COc1cc(CN2CCN(c3cc(C)nc(N)n3)C[C@@H]2CCO)cc(OC)c1 106950610 HQSDVVUDBMWODF-INIZCTEOSA-N 387.484 1.458 0 50 GDAA CC(C)c1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc(N)n1 65436188 ZIOJTYZXYHPTCX-XJKSGUPXSA-N 384.436 1.902 0 50 GDAA COc1ccc(OCc2nc(C(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)co2)cc1 67723698 AUQHQHYKFGKISM-ROUUACIJSA-N 387.436 1.543 0 50 GDAA COc1cccc(CN2CCC[C@@](O)(CNCc3cnn4ccccc34)C2=O)c1 67674590 OUEOGCKULJDBAG-JOCHJYFZSA-N 394.475 1.986 0 50 GDAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCc2c(ncn(C)c2=O)C1 329927900 XHLABASUBVEXBO-OAHLLOKOSA-N 392.463 2.485 0 50 GDAA O[C@@H](COc1ccccc1CNCCSc1ncn[nH]1)CN1CCCCC1 39394208 VRIMMRCKTVBKRN-QGZVFWFLSA-N 391.541 1.912 0 50 GDAA Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CC[C@](O)(C(F)(F)F)C1 332162566 TUNFFQMMWBNJDS-MRXNPFEDSA-N 382.342 1.209 0 50 GDAA CN1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1=O 363249649 ANYUCZPZESOUJC-DYVFJYSZSA-N 380.439 1.801 0 50 GDAA CNC(=O)CCN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71746109 PDVLGVTWWXKKFD-SFHVURJKSA-N 387.528 1.010 0 50 GDAA Cc1cc(C)nc(N2CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)n1 157531200 PYOGAMALCNYUKW-AWEZNQCLSA-N 388.497 1.603 0 50 GDAA Cc1cnc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cn1 71714605 DHBQEWOTHHJEMY-KRWDZBQOSA-N 385.512 1.514 0 50 GDAA CS(=O)(=O)NC[C@@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 72145815 ZRMCILXJKMCWKR-GOSISDBHSA-N 378.498 1.343 0 50 GDAA CCCCN1CCN([C@H](C(=O)N2CCCOCC2)c2ccccc2)C(=O)C1=O 77376710 WNSIYZFYWFGBQN-SFHVURJKSA-N 387.480 1.448 0 50 GDAA Cc1ccc(N2CCN(C(=O)c3cnn4cc(CCO)cnc34)CC2=O)cc1 82087754 QVFSUEGVXZHFRY-UHFFFAOYSA-N 379.420 1.062 0 50 GDAA O=C([C@H](c1ccccc1)n1cnnn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225427185 AAAHUMSMAVFIEC-ALKREAHSSA-N 376.420 1.070 0 50 GDAA biogenic CN1CCN([C@H]2CCN(C(=O)CSc3ccncc3)C[C@H]2CCCO)CC1 91858113 IBSPNEQDGGOQKP-MJGOQNOKSA-N 392.569 1.411 0 50 GDAA O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@H]1C[C@@H](O)CN1)CC2 95520367 GRGGIQRXVXKXER-UYAOXDASSA-N 397.450 1.614 0 50 GDAA CN1C(=O)CN(CC(=O)N2CCC[C@@H]2c2nccs2)C(=O)c2ccccc21 95531714 BXXQRRLYSYKFNB-OAHLLOKOSA-N 384.461 1.925 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)NC1CCN(S(C)(=O)=O)CC1 97635058 WWTAWEVOWINNCJ-UHFFFAOYSA-N 375.454 1.001 0 50 GDAA O=C(CCc1cc2n(n1)CCCN(C(=O)c1cnc3ccccn13)C2)NC1CC1 91621337 RRKZZLCLQKVDCY-UHFFFAOYSA-N 392.463 1.788 0 50 GDAA O=C(N[C@H]1CCc2[nH]ncc2C1)N1CCC(CCCN2CCOCC2)CC1 181462607 KAGUEKSOKGUGCW-SFHVURJKSA-N 375.517 1.801 0 50 GDAA CCCn1ccnc1CN1CCN(C)[C@]2(CCC(=O)N(CCOC)CC2)C1 91625290 LGPKBKVWQWDMBE-FQEVSTJZSA-N 377.533 1.438 0 50 GDAA O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N(CCO)CCO 42437809 SIROGJYAUPYBSA-HXUWFJFHSA-N 388.439 1.575 0 50 GDAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 827927080 VPHSWFAQMZIPRL-SFHVURJKSA-N 387.480 1.536 0 50 GDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CC(=O)N(Cc2cccnc2)C1 827763003 BGTSDCIHPFPYPZ-INIZCTEOSA-N 376.420 1.532 0 50 GDAA COC[C@]1(C(=O)NC[C@@H]2CO[C@H](CNc3ncnn4cccc34)C2)C=CCC1 1875325921 FYKAUYBJDFMFSV-GUXCAODWSA-N 385.468 1.645 0 50 GDAA C[C@H](CF)C(=O)N1C[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@@H]2C1 1875330071 LMEMYNNOTOBBMI-BNOWGMLFSA-N 396.488 1.258 0 50 GDAA CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)cc2)CC1 1875402059 AGZIERLPQHUDRS-IOMROCGXSA-N 397.523 1.595 0 50 GDAA O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402118 BZXCRFGJESXAKS-ATZDWAIDSA-N 398.463 1.345 0 50 GDAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952894139 WXVGHFKYANHMBJ-QAPCUYQASA-N 389.500 1.469 0 50 GDAA CC(C)c1nnc([C@@H]2CN(S(=O)(=O)c3c[nH]c4ncccc34)CCO2)o1 275375649 YDRUGYFCEREOSD-LBPRGKRZSA-N 377.426 1.832 0 50 GDAA O=C(NS(=O)(=O)c1cnc2n1CCC2)c1cccc(OCc2cccnc2)c1 170609397 ZYVWQQBAIGOJRI-UHFFFAOYSA-N 398.444 1.922 0 50 GDAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1cnn(CCN2CCOCC2)c1 747561192 GYUDBVVGYXMARL-GOSISDBHSA-N 385.472 1.513 0 50 GDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(SCCO)cc1)C2 219497235 RUQWJLBVARTFMM-CVEARBPZSA-N 378.494 1.480 0 50 GDAA O=C(O)CCN1C[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@]2(CCC(=O)O)C1 1772809485 XHISAVWVALXKQE-UTKZUKDTSA-N 388.464 1.695 0 50 GDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN[C@@H](C)COC 12167997 AEWPGJCHVZANPA-ZDUSSCGKSA-N 375.425 1.945 0 50 GDAA COCCn1c(CN(C)Cc2nccs2)cnc1S(=O)(=O)CC1CC1 12198158 MBKDTMIHUREVBF-UHFFFAOYSA-N 384.527 1.802 0 50 GDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(F)c4)c3)CN2C1=O 14746052 PBVYNLWCLJKVTA-SZMVWBNQSA-N 385.443 1.369 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccn2)CC1 206237094 ARZUSQJMTVWWBU-MRXNPFEDSA-N 397.435 1.224 0 50 GDAA CC(C)Cc1nc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)n[nH]1 206240308 INUUCGIALAFKFA-CQSZACIVSA-N 384.440 1.495 0 50 GDAA COc1ccc(O)c(-c2ccc3c(O)nc(N4CCC(C(N)=O)CC4)nc3n2)c1 1857526772 XNGUIGKTONZMBY-UHFFFAOYSA-N 395.419 1.813 0 50 GDAA COCCn1nnc([C@H]2CN(C(=O)Nc3ccc(C)c(Cl)c3)CCO2)n1 1857736521 KSKORLPUBJZEIQ-CQSZACIVSA-N 380.836 1.887 0 50 GDAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccc4nc[nH]c4c3)C2)C[C@@H](C)O1 1875247037 JFDDGJFNSRNOSP-GVSKICRLSA-N 386.452 1.068 0 50 GDAA O=C([C@@H]1CCCO1)N1CCn2c(nnc2-c2cncc(Br)c2)C1 791183456 YBDPEJJPKGECKP-LBPRGKRZSA-N 378.230 1.624 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CCO1 262927941 WXPHUOTVXQRWEL-OAHLLOKOSA-N 376.796 1.476 0 50 GDAA COCc1nc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cs1 264324685 RHGITYZJZIDRNW-UHFFFAOYSA-N 380.514 1.496 0 50 GDAA CCCC1(C(=O)N=[S@@](C)(=O)c2cnn3c2CN(C(=O)[C@@H](C)OC)CC3)CC1 2325785100 BKJFVMAHFOYXNK-QWVSSGJLSA-N 396.513 1.824 0 50 GDAA C[C@](O)(CC(=O)N1C[C@H]2[C@H](NC(=O)C3CCN(CC4CC4)CC3)[C@H]2C1)C1CC1 2325793806 IKLNPUFBCOTKCV-IKLNAOFOSA-N 389.540 1.233 0 50 GDAA C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cnn3ccccc23)C1 2325794089 PWWGXTOUYQZKLS-MAUKXSAKSA-N 394.479 1.538 0 50 GDAA C[C@@H](O)[C@H](C)CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1 2325799365 QQFLBUXRIOCSKQ-ZIAGYGMSSA-N 390.509 1.692 0 50 GDAA O=C(NCCN1CCOCC1)c1ccccc1NC(=O)c1[nH]nc2c1CCCC2 55036111 ICVCMJHAQMWPSN-UHFFFAOYSA-N 397.479 1.603 0 50 GDAA CN(C)CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 10111646 FNSHULMIFPRIML-GOSISDBHSA-N 389.477 1.321 0 50 GDAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1 2781119 FGERIVJAAAHOQT-UHFFFAOYSA-N 394.357 1.929 0 50 GDAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)C1(O)CCCC1 67975128 BOAMDPVDYAKOAO-UHFFFAOYSA-N 381.480 1.725 0 50 GDAA CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1ccccc1 72437472 YIOKKNRNWPJXAF-MRXNPFEDSA-N 381.542 1.890 0 50 GDAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 332299038 KKDAUQHQYWJXRE-LLVKDONJSA-N 382.408 1.195 0 50 GDAA O=S(=O)(CCC1CCCCC1)N1CCC(N2CCCS2(=O)=O)CC1 333927015 WAPNSFYQUYXHIY-UHFFFAOYSA-N 378.560 1.787 0 50 GDAA O=S1(=O)CCN(S(=O)(=O)c2ccc3ccccc3c2F)[C@H]2CCOC[C@@H]21 333930588 ZGHCGNQZDHUTTO-HOCLYGCPSA-N 399.465 1.556 0 50 GDAA O=C(c1cn2c(n1)CNCC2)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71767460 RVVFWDIASJNXGH-DUXKGJEZSA-N 377.492 1.689 0 50 GDAA Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccnc1OCC(F)F 129212695 KICRLVWPIJGSCB-UHFFFAOYSA-N 377.351 1.860 0 50 GDAA C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 157996545 IELJBQQVPSAZEW-ACJLOTCBSA-N 387.436 1.971 0 50 GDAA Cc1n[nH]c(C)c1NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 376706509 KRYTXJNILHTJAT-UONOGXRCSA-N 397.435 1.001 0 50 GDAA Cc1cc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2cnn(C)c2n1 175398386 FEPQBJDROFELDO-GOSISDBHSA-N 392.463 1.979 0 50 GDAA CSc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cc1 219072343 FKUYSVFCQJISRS-QGZVFWFLSA-N 381.523 1.699 0 50 GDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)N1CCC(F)(F)CC1 77517033 AKTDLZJLSLFNMW-RCJHGTSTSA-N 389.402 1.621 0 50 GDAA CN(C)c1cncc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71754652 ARJMACIFKGVPQG-QGZVFWFLSA-N 386.544 1.846 0 50 GDAA CN1CCC(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 72437580 NRCKKJGTBTVDAK-MRXNPFEDSA-N 399.582 1.997 0 50 GDAA Cc1cccc(-c2noc(CCCC(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)n2)c1 82145973 LJHCCEHVTZGDTM-HXUWFJFHSA-N 382.420 1.633 0 50 GDAA CC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O 20365839 ZAHRPODITDJNQC-UHFFFAOYSA-N 376.722 1.919 0 50 GDAA O=S(=O)(c1cccnc1)N1CCN(Cc2ncn(-c3ccccc3)n2)CC1 179363771 YQAYDKNHKXZHSJ-UHFFFAOYSA-N 384.465 1.169 0 50 GDAA CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(NC(=O)C2CC2)CC1 178928306 MPYXHJCRFYKBBB-UHFFFAOYSA-N 378.494 1.783 0 50 GDAA CN(C)Cc1nnc(C2CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)n1C1CC1 96136024 YDNFFCWUUNKEAB-UHFFFAOYSA-N 399.499 1.097 0 50 GDAA CN1C[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)NC1=O 95381438 RZTRGYDQULUXLL-SFHVURJKSA-N 398.507 1.484 0 50 GDAA Cc1cc(C)n(CCCN2CCC(c3nnc(Cn4cncn4)n3C)CC2)n1 96148575 YFLUGOGDGFBHKQ-UHFFFAOYSA-N 383.504 1.538 0 50 GDAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCCn2nc([C@H](O)CO)cc2C1 230553249 GVWRJIXIXZCIIU-MRXNPFEDSA-N 385.873 1.298 0 50 GDAA O=C(NCc1nnc2n1CCC2)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 96162726 URZMUCWAIFVCHL-OAHLLOKOSA-N 384.440 1.455 0 50 GDAA CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(Cc3cc(F)cc(F)c3)C[C@@H]2C1 95372700 YKZUYAMOSAJEPE-RHSMWYFYSA-N 389.468 1.030 0 50 GDAA O=C(CN1CCOCC1)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91754678 HTGKWIYMLPAKRH-UHFFFAOYSA-N 386.496 1.145 0 50 GDAA CC(C)C[C@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C(N)=O 91907257 NSOWTBIOTHKSSF-LBPRGKRZSA-N 375.381 1.612 0 50 GDAA O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2nc(-c3cccnc3)nc3c2CCC3)N1 269034375 JWXSWHUDZZPTJQ-RBZFPXEDSA-N 378.436 1.818 0 50 GDAA CSc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)cc1 91657183 JFFDIBUJRWYONX-IAGOWNOFSA-N 378.538 1.475 0 50 GDAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cc(S(N)(=O)=O)c1C 299753714 ZBENLZWHSXCIAK-AWEZNQCLSA-N 384.454 1.047 0 50 GDAA C[C@@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1cnn(C)c1 534588477 FMTOJHHTBDPPLG-CYBMUJFWSA-N 385.472 1.319 0 50 GDAA Cn1nccc1-c1ccnc(N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)n1 865932773 AFAXUPVZGBIRBJ-CABZTGNLSA-N 375.376 1.289 0 50 GDAA CN1C[C@H](c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)c1occ3c1CCC3)C2 1875288734 AIOPQOPIRDURHI-MRXNPFEDSA-N 381.480 1.796 0 50 GDAA O=C(O)c1cn(CC[C@@H]2CCCCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)nn1 1875277541 PWJTWDVGVUVVQW-YOEHRIQHSA-N 388.399 1.890 0 50 GDAA O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)N1CC(N2CCO[C@H](c3nc(C4CC4)no3)C2)C1 1875272095 BCXUVGPFWRWPRA-SVGFKBNWSA-N 387.484 1.903 0 50 GDAA COCc1nocc1C(=O)NC[C@]1(CO)COC[C@@H](C)N1Cc1ccccc1 1875396530 KWUDILMVQDYVOU-QRWLVFNGSA-N 389.452 1.203 0 50 GDAA NC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2ccco2)C(F)(F)CC1 1875348141 YLTPBUHMUQWUJU-NSHDSACASA-N 389.424 1.102 0 50 GDAA Cn1ncc(C(=O)N2CCC3(CC2)C[C@@H](O)c2nn(C4CCCC4)cc2O3)n1 1875394451 JHSDQYGKHNIKQC-OAHLLOKOSA-N 386.456 1.618 0 50 GDAA Cn1c(C(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)cccc1=O 952894386 OEACQEWWMNPZHW-MRXNPFEDSA-N 382.342 1.992 0 50 GDAA Cc1cn2nc(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2c(=O)[nH]1 1347054604 BDLCDWOVKLAAGH-NUJGCVRESA-N 378.432 1.976 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)C1 756090833 NQJCGUBJCYZLKE-ZIAGYGMSSA-N 397.472 1.043 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2cccc(O)c2)cc1OC 1529112850 RWNOIUFQBIMFAA-TZIWHRDSSA-N 387.432 1.913 0 50 GDAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1N1CCOCC1 1704297982 ZGDCIKWOFKBSID-IFMALSPDSA-N 387.524 1.750 0 50 GDAA COc1cc(-c2onc(N3CCC[C@](O)(CO)CC3)c2C(=O)O)ccc1F 1704312278 OCDATGBNYWNYJB-GOSISDBHSA-N 380.372 1.901 0 50 GDAA O=C(NC1CCN(CCO)CC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772813884 ZHFQGKUILRLULB-HNNXBMFYSA-N 386.521 1.883 0 50 GDAA Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NCCN(C)C 12004312 DTICSWJPTUOYOT-UHFFFAOYSA-N 389.543 1.073 0 50 GDAA COc1cc(CNCC(C)(C)OC)ccc1OC[C@@H](O)CN1CCSCC1 12025236 CXOHYYOEJLSMDI-KRWDZBQOSA-N 398.569 1.998 0 50 GDAA CC(C)NC(=O)c1cn([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn1 12158244 BHIOFGGEKUHURM-KRWDZBQOSA-N 384.484 1.960 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccncn1 15067093 PWGXDTOBCMPUQD-SFHVURJKSA-N 397.479 1.224 0 50 GDAA COc1cc(C(=O)N2CCO[C@]3(CCN(CCCn4ccnc4)C3)C2)ccn1 1857686189 LJDVFLCIDQHLAY-FQEVSTJZSA-N 385.468 1.294 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4nccc(=N)[nH]4)C[C@]34CC[C@H]2O4)cc1 1857712269 UOYIDPMZIUDIRU-BIZBXSGISA-N 379.464 1.611 0 50 GDAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cn2c(n1)CCNCC2 1857716137 YFYPATBNJBYUHM-GOSISDBHSA-N 383.496 1.050 0 50 GDAA Cc1nc(N2CCOCC2)sc1C(=O)NC1CCN(c2cccnn2)CC1 1857730459 QONRXWZKXSSTMF-UHFFFAOYSA-N 388.497 1.477 0 50 GDAA COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4nc5ccc(C)cc5s4)C3)C[C@H]21 1857730690 YWMUKBBJZYQBQP-APNQJHFZSA-N 399.472 1.835 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cnccn4)C[C@]34CC[C@H]2O4)cc1 1857737625 VVZHVHNTXPISHR-XKGFGPFHSA-N 380.448 1.899 0 50 GDAA CN(C)C(=O)N1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 225504843 JGGZJFFSTJKUQG-UHFFFAOYSA-N 375.860 1.749 0 50 GDAA COCCn1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 123920489 MMCCSQYAJRNVJM-MSOLQXFVSA-N 387.484 1.534 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc2C[C@H]1C 263818704 XAQACTMFFAIZLT-CYBMUJFWSA-N 388.493 1.995 0 50 GDAA CS(=O)(=O)CCc1noc(-c2cc(Br)cc3nc(O)[nH]c23)n1 904879256 OEKLIKHDJFSJNP-UHFFFAOYSA-N 387.215 1.668 0 50 GDAA CC(C)(O)C(=O)N1CCn2ncc([S@@](C)(=O)=NC(=O)CCC3CCC3)c2C1 2325785312 PJTSTSAUICCKPJ-HHHXNRCGSA-N 396.513 1.560 0 50 GDAA O=C(Nc1cnc2n1CCNC2)[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 2325786358 FJGMYDWISDEOKA-CYBMUJFWSA-N 381.415 1.585 0 50 GDAA O=C(O)C(F)(F)C1(O)CCN(S(=O)(=O)CC2Cc3ccccc3C2)CC1 2325790409 JVHIGRKLYZXSTL-UHFFFAOYSA-N 389.420 1.278 0 50 GDAA COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 814660 DKEVWTLIEDGTDT-UHFFFAOYSA-N 377.422 1.695 0 50 GDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(F)(F)F)n(C)c1=O 851754 BMVXKYGZQICASA-UHFFFAOYSA-N 381.314 1.091 0 50 GDAA C[C@@H](O)C(=O)NCc1ccnc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1 2356158406 JCVNKLMCZLDVCR-CQSZACIVSA-N 396.447 1.135 0 50 GDAA CCn1ncc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1C 6804892 SBVUJOOSRBKEBY-QGZVFWFLSA-N 385.424 1.282 0 50 GDAA CCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10233785 KJYYOAPHIOWSEG-UHFFFAOYSA-N 383.452 1.702 0 50 GDAA COc1ccc(OC)c(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 101749812 FILCLQBKXCAMOO-KCQAQPDRSA-N 382.482 1.775 0 50 GDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 55120261 JBDLINZJKWPSOE-GOSISDBHSA-N 385.468 1.231 0 50 GDAA COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccco4)ccc3=O)CC2)c1 61718408 LJKXULGLBSPNOD-UHFFFAOYSA-N 394.431 1.861 0 50 GDAA O=C(c1cccnc1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 20450752 PJRMMNYSFLVKOP-WOJBJXKFSA-N 384.455 1.618 0 50 GDAA COc1cc(OC)cc(N2C[C@H](C(=O)N3C[C@@H](C)S(=O)[C@H](C)C3)CC2=O)c1 481757952 AMWSICLWJOIHLO-MGPQQGTHSA-N 394.493 1.425 0 50 GDAA C[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 363877660 DTBYVKQTSKNLPK-FVQBIDKESA-N 381.436 1.447 0 50 GDAA CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC[C@@](O)(C(F)(F)F)CC1 285553514 MNMZTDUNLKGFFK-HNNXBMFYSA-N 392.378 1.315 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1)N1CCC1 215557250 QAEZKDQVLWUHSR-KRWDZBQOSA-N 377.510 1.781 0 50 GDAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 219338902 GGWBHLVVJHLMSN-LJQANCHMSA-N 381.436 1.485 0 50 GDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CCc1csc(N)n1 222790471 KYOACWMVNKIXRY-HUUCEWRRSA-N 380.470 1.753 0 50 GDAA CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccccc2)c1)N1CCCS1(=O)=O 133101753 LQAOXPQJVFQGAE-KRWDZBQOSA-N 376.482 1.930 0 50 GDAA C[C@@H](CNC(=O)c1nccc2c(S(N)(=O)=O)cccc12)CN1CCCCC1 179441989 UYHYFRIVSDNAIZ-AWEZNQCLSA-N 390.509 1.734 0 50 GDAA CN(CCN1CCCCCC1)c1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 426479722 KGQWAEOHJFBECD-MRXNPFEDSA-N 375.517 1.474 0 50 GDAA O=C(CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)N1CCOCC1 92020479 PCBXGTGBSULXOQ-UHFFFAOYSA-N 386.496 1.145 0 50 GDAA CCN1C[C@H](C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CC1=O 91997940 QYRMJZJOCAYAHO-MRXNPFEDSA-N 375.469 1.087 0 50 GDAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C(C)=O)C2)c(OC)c1 95509762 FOGIZJUKQVUVQG-OAHLLOKOSA-N 376.453 1.928 0 50 GDAA CCn1ccnc1CN(C)C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1 96163753 YYJSWVPQRFAIDJ-UHFFFAOYSA-N 380.474 1.785 0 50 GDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 92046274 VCIDYTVLSVTANP-XCLFUZPHSA-N 377.485 1.345 0 50 GDAA COCC1(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)CC1 96164559 CWMRSXMHSIOADH-UHFFFAOYSA-N 384.484 1.990 0 50 GDAA CN(C)C1(CNC(=O)Nc2cc(Cl)c3c(c2)NC(=O)CO3)CCOCC1 97295182 BVJBASCKEPBVJH-UHFFFAOYSA-N 382.848 1.903 0 50 GDAA CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc(-n3cnnc3)nc2C)cc1 534658895 PHNHJEHIDXNPAX-AWEZNQCLSA-N 378.436 1.892 0 50 GDAA Cc1ncc(C)c(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299793198 HDACSQNASBLKDO-LJQANCHMSA-N 387.528 1.855 0 50 GDAA Cc1[nH]ccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299765248 DGMUUXNXXXRSNY-GOSISDBHSA-N 388.512 1.402 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@H](CNC(=O)CN3CCOCC3)C2)c1 824629396 QNYKFDBWSBPGFZ-INIZCTEOSA-N 379.476 1.495 0 50 GDAA CC(C)(C)Cc1cn(-c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875317671 HKMSJERBWLKXJR-MRXNPFEDSA-N 381.436 1.617 0 50 GDAA O=C(NC[C@H]1CCCCN1)[C@@H]1CC[C@@H]1S(=O)(=O)N1CCc2ccccc2C1 1875362937 ZKGLHOSZIGRCBE-QRVBRYPASA-N 391.537 1.411 0 50 GDAA C=CC(=O)Nc1ccc(C(=O)N2CCc3c(cnn3C)[C@H]2C(=O)N(C)C)cc1 1875368738 MWALZBOLBRFXKP-SFHVURJKSA-N 381.436 1.372 0 50 GDAA O=C(NCC[C@H]1CCN(C(=O)Cc2cncc(O)c2)C1)c1cccc2nncn12 1875330894 HQWDSAPWHXIERN-AWEZNQCLSA-N 394.435 1.041 0 50 GDAA COc1ccc2c(n1)N(C(=O)[C@H]1CCC(=O)N(C3CC3)[C@@H]1c1nccn1C)CC2 888093501 ANUVGRMJUNNENH-YJBOKZPZSA-N 395.463 1.855 0 50 GDAA O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N[C@@H]2C[C@@]3(CCNC3)Oc3ccccc32)CN1 1345559225 IAEPKZNXMOTJML-KYZVSKTDSA-N 397.397 1.673 0 50 GDAA CCn1c(C)cc(C)c(C(=O)N2C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C2)c1=O 1565526704 CEEXFCNKXFNULY-CVEARBPZSA-N 376.501 1.853 0 50 GDAA COCc1cc(CN2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)ccc1OC 1073327065 UATPJQZLOATBJK-RXVVDRJESA-N 391.512 1.782 0 50 GDAA CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)NCCC3=CCCC3)C2)n1 275540386 DMMUFAPLVYLUFO-KRWDZBQOSA-N 388.516 1.964 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CC(=O)N1CCOCC1)CC2 276461196 NCKNDVQEDILGTC-GOSISDBHSA-N 391.537 1.810 0 50 GDAA COc1ccc(Cn2ccc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)cc1 189647973 TUDZVZFTINRXAE-CQSZACIVSA-N 380.408 1.655 0 50 GDAA CC(=O)N1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C[C@@H](O)C1 1506407431 RYZKHFQKTAYUDT-KRWDZBQOSA-N 382.526 1.815 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)C1 1506421613 JTPLSRSGFIETCD-INIZCTEOSA-N 381.498 1.506 0 50 GDAA Cc1ccccc1OCCCN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529092633 WJQNCSYABYHSKI-UXHICEINSA-N 383.448 1.874 0 50 GDAA CCn1ncnc1CN1C[C@H]2CN(c3nccs3)C[C@@]2(CCC(=O)O)C1 1772819404 TWVWEKCRFJZFNT-SUMWQHHRSA-N 376.486 1.558 0 50 GDAA COC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1cccc(C(F)(F)F)c1 13497571 CEUHVRSFVDVMMK-NSHDSACASA-N 375.372 1.766 0 50 GDAA COc1cc(-c2nc(CNC(=O)C3(OC)CCNCC3)c(C)o2)ccc1O 1857682089 HNAJZBOVSKOYSY-UHFFFAOYSA-N 375.425 1.749 0 50 GDAA O=C(c1nc2ncccn2n1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857731488 RZBWSVRUFMATLZ-HXUWFJFHSA-N 391.435 1.618 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC[C@H]1NC(=O)c1ccc[nH]1 1875249577 DTWIJNPYMOKQCK-YXJHDRRASA-N 376.501 1.481 0 50 GDAA COc1cccc(CN2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c1 328603120 DWJVHRJLFYBXNP-HKUYNNGSSA-N 384.480 1.660 0 50 GDAA CNC(=O)C[C@@H](NC(=O)Cc1c(C)nc2cc(O)nn2c1C)c1ccccc1 484854308 WHMMPQTXJDOGKX-MRXNPFEDSA-N 381.436 1.588 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccn([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 828635570 IXIXPNBEPBPMAM-KSMMKXTCSA-N 393.488 1.459 0 50 GDAA Cn1nnnc1[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 2100555113 MGHGYXSNFIRLNY-QGZVFWFLSA-N 376.424 1.493 0 50 GDAA C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(-n3cccc3)ccn2)CN1C 2325872206 MFKDRMKCMZLKJZ-SJORKVTESA-N 383.496 1.743 0 50 GDAA CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)o1 1857800089 KFDPZQAFGUQXTE-UHFFFAOYSA-N 395.412 1.570 0 50 GDAA COc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC 1050498 RRHCFTWKGZEZCT-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA COc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1OCCN(C)C 55061186 XYAPVFNAZCZFIJ-IBGZPJMESA-N 391.512 1.459 0 50 GDAA COC(=O)[C@]1(C(C)C)N[C@H](c2ccnc3ccccc23)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65536252 WDFOXTHDTOWGSU-BZLDKRAPSA-N 381.432 1.678 0 50 GDAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 65363592 IUVQTDISPUGBJT-INIZCTEOSA-N 376.482 1.469 0 50 GDAA COc1cc(N2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)nc(N)n1 67742414 QSUKKIVLHZYRPJ-UHFFFAOYSA-N 386.460 1.127 0 50 GDAA O=C1CC[C@]2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1Cc1cccnc1 72424289 JZRFIEYLVRCUMP-FQEVSTJZSA-N 381.436 1.210 0 50 GDAA COc1cccc(NC(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 72115466 YZXHKSLKMKKBPS-UHFFFAOYSA-N 398.467 1.676 0 50 GDAA O=C(O)CCc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)s1)C2 72454635 TTYYLKDVCNOSPI-UHFFFAOYSA-N 391.497 1.599 0 50 GDAA Cc1nnnn1-c1cccc(C(=O)NCc2nc(Cc3cccs3)no2)c1 215094223 NSSNIOATEFHRDB-UHFFFAOYSA-N 381.421 1.936 0 50 GDAA O=C(C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CC(n4cccn4)C3)C2)CC1 71747302 JUTNUPKRDYWSRM-KRWDZBQOSA-N 385.512 1.379 0 50 GDAA Cc1cccc(N2CCN(CCC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)CC2)c1 367730425 SSRVMYZQKORYBI-SFTDATJTSA-N 387.524 1.914 0 50 GDAA COc1cc(OC)cc(C(=O)N2CC3(CCN(C(C)=O)CC3)C[C@@H]2C(=O)O)c1 72481115 ARCHRIUQOWLFQG-QGZVFWFLSA-N 390.436 1.632 0 50 GDAA O=C(Cc1ccc(Cl)cc1)NCCNc1cc(N2CCOCC2)ncn1 72441345 KJJZOZFVSGKTGR-UHFFFAOYSA-N 375.860 1.737 0 50 GDAA CC(C)[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)CCCN1Cc1ccc(F)cc1 71760172 VAYCMGRQZDSVFK-INIZCTEOSA-N 375.448 1.539 0 50 GDAA Cn1cc(-c2cncc(C(=O)NCc3cccnc3N3CCOCC3)c2)cn1 369132923 USGVJFWACTYJDG-UHFFFAOYSA-N 378.436 1.644 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O 77303898 UHYAOSSWIPLBCC-QGZVFWFLSA-N 381.517 1.957 0 50 GDAA Nc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1 72419918 OWOXVODELQBIMN-OAHLLOKOSA-N 376.407 1.651 0 50 GDAA COc1cccc(CCC(=O)N2CCC[C@@H](N(CC(=O)O)C(C)=O)CC2)c1 460849629 XCKBMESIPYRMCA-QGZVFWFLSA-N 376.453 1.942 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3CCCNC3=O)csc2C1 426397366 IPGPBEMMVDYLHZ-MRXNPFEDSA-N 388.493 1.920 0 50 GDAA CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccn3nnnc3c2)CC1 97294955 BXUDBUJZCYXEMU-UHFFFAOYSA-N 378.436 1.635 0 50 GDAA CC(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)s1 91575350 CWKZNXHAKNTEAC-FZKQIMNGSA-N 379.482 1.531 0 50 GDAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)no1 95354559 QWTPBFHQRTYOMV-OAHLLOKOSA-N 379.438 1.370 0 50 GDAA C[C@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 92066669 SLZALTNMRAQXSB-HNNXBMFYSA-N 385.468 1.854 0 50 GDAA O=C(NCCCc1ccccn1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 95367919 PRDCPJZCNFZKRP-QGZVFWFLSA-N 389.477 1.200 0 50 GDAA NC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91473818 HLJFSFSKQHSYFB-UHFFFAOYSA-N 396.495 1.676 0 50 GDAA CCOC(=O)[C@@H]1CCCN(Cc2nc(N)nc(Nc3ccc(OC)cc3)n2)C1 95399210 ACRDDHHXWMDOHG-CYBMUJFWSA-N 386.456 1.981 0 50 GDAA CCc1ccccc1OCCN1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 95509562 LFFHIIHHAYGINX-DLBZAZTESA-N 395.525 1.093 0 50 GDAA Cc1cnn([C@@H](C)C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 95499894 AMAYHQBFGZAAPW-HNNXBMFYSA-N 396.495 1.788 0 50 GDAA COCCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCCN2C)c1 95356296 IKIUEUKKTPZULF-MRXNPFEDSA-N 383.514 1.216 0 50 GDAA O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95359430 VNQJUSXJNVLHEG-MRXNPFEDSA-N 378.425 1.823 0 50 GDAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1=O 268941313 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COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@@]1(C)CCN(C)C1 952976707 GLLCMIGGXYWARJ-SFHVURJKSA-N 378.498 1.843 0 50 GDAA CC(C)c1cccc(O[C@@H](C)C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275683710 MMNNRDYTTSBGQB-YJBOKZPZSA-N 378.469 1.821 0 50 GDAA NC(=O)c1cnn2c1C[C@H](CNC(=O)Cc1ccccc1OC(F)F)CC2 277450875 GFNINDKYSUHQSY-LLVKDONJSA-N 378.379 1.505 0 50 GDAA NC(=O)[C@H]1CCCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)C1 192755640 XHKUBYSHEYWPFU-YSKWHIJTSA-N 392.419 1.655 0 50 GDAA CN1CCC(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529142942 YJUGMPIAYUALOS-MSOLQXFVSA-N 379.888 1.744 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)nn1 12434406 HJNVYQVHCJESGP-UHFFFAOYSA-N 387.488 1.411 0 50 GDAA CCOC(=O)N1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 14962496 PSWKDJFEVHFEEB-UHFFFAOYSA-N 375.433 1.672 0 50 GDAA O=C(Nc1cc[nH]n1)c1ccc([C@@H]2CCCN2C(=O)CN2CCOC2=O)s1 19774582 IOTXKZUQOQATIQ-NSHDSACASA-N 389.437 1.839 0 50 GDAA COc1ccccc1CC(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 169775979 HFFBVFGUNDPIPA-UHFFFAOYSA-N 378.392 1.955 0 50 GDAA COCC(=O)N1CCC2(CCC[C@@H]2NC(=O)c2ccc3c(c2)OCCO3)CC1 1857674895 CACGHHIKYWJCHG-SFHVURJKSA-N 388.464 1.995 0 50 GDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)N3CCC4(CC4)C3)n2)cc1OC 1857683427 GLQAFKPHLDKFPE-CQSZACIVSA-N 399.495 1.918 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ncc[nH]2)C1 1857693851 PRHAOGBZAHGYEI-LVCYWYKZSA-N 389.544 1.281 0 50 GDAA Cc1nonc1OCCNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857695484 LLDPMQAMUYEUGL-CYBMUJFWSA-N 386.412 1.716 0 50 GDAA Cc1nc(CN2CCOC3(CCN(S(C)(=O)=O)CC3)CC2=O)sc1C 1857699027 FHLXIXAMQUFAEO-UHFFFAOYSA-N 387.527 1.303 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)c1 1857708319 NIPNILYFGTXRBC-QGZVFWFLSA-N 399.520 1.852 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCc3cccn4nccc34)CC2=O)s1 1857738501 KYYQJILRBVXZMH-GFCCVEGCSA-N 386.437 1.002 0 50 GDAA Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@H](N2CCCCC2=O)C1 370461203 PMBYRLRBNWRBOK-KRWDZBQOSA-N 396.557 1.521 0 50 GDAA CO[C@@H]1CCN(C(=O)C[C@]2(C(=O)N3CC[C@@H](OC)C3)CCc3ccccc32)C1 900954153 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GDAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 172742835 QEIWOYDXLHFHGW-IBGZPJMESA-N 377.448 1.785 0 50 GDAA O=C(NCc1cccc(N2CCCS2(=O)=O)c1)N1CCN2CCCC[C@H]2C1 248743283 FFSQHEGBJOCTQY-SFHVURJKSA-N 392.525 1.606 0 50 GDAA COCCn1c(=O)n(C[C@@H]2COc3ccccc3O2)c2cc(C(=O)O)ccc21 55154862 PPBXAOLHTJPVAD-CQSZACIVSA-N 384.388 1.988 0 50 GDAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)c1 55036652 DLAVYLJUOBRJAX-LJQANCHMSA-N 385.439 1.841 0 50 GDAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1 67726102 PEFZQMSKYLVTQM-UHFFFAOYSA-N 389.544 1.960 0 50 GDAA C[C@@H]1NC(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)=NN(c2ccccc2)C1=O 120025474 IVGJFBPJBZHIIM-STQMWFEESA-N 397.401 1.325 0 50 GDAA COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc3c1OC(C)(C)C3)CC2 328680215 UNHSOYIWMZDXOZ-CYBMUJFWSA-N 392.481 1.431 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(N3C[C@@H]4CC[C@H](N)[C@H]4C3)CC2)cc1 253369886 JKXBXHSPRKPFRZ-JVPBZIDWSA-N 379.526 1.517 0 50 GDAA COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)NCCN(C)C)c2=O)cc1 77320027 NKCXGMFTAHKAQD-UHFFFAOYSA-N 395.463 1.387 0 50 GDAA Cn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21 72428033 CMIXLYOAYZCSLJ-UHFFFAOYSA-N 392.467 1.773 0 50 GDAA Cn1cc([C@H](O)C2CCN(c3ccnc4cc(F)ccc34)CC2)c(=O)n(C)c1=O 362183474 SEPYMTFTKAVISF-LJQANCHMSA-N 398.438 1.721 0 50 GDAA C[C@H]1CN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCN1 155150301 JXSKJMZALZLCQK-LBPRGKRZSA-N 389.315 1.823 0 50 GDAA CN(C)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71754651 ARJMACIFKGVPQG-KRWDZBQOSA-N 386.544 1.846 0 50 GDAA Nc1cc(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)n[nH]1 72473320 QGASRJPEYFPHBJ-UHFFFAOYSA-N 385.424 1.498 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N4CCN(C)CC4)nc3c(=O)n2C)cc1 72426369 QMIBYDHUQJGNFZ-UHFFFAOYSA-N 381.436 1.096 0 50 GDAA CN(c1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1)S(C)(=O)=O 71385086 MBSAZASNCYESJN-UHFFFAOYSA-N 389.433 1.447 0 50 GDAA Cc1nc(=O)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(C)[nH]1 221233116 YMEQIMGFCVMDFT-SJORKVTESA-N 375.400 1.421 0 50 GDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 229403505 DIGAMSZKMAZMRG-DZGCQCFKSA-N 377.441 1.275 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@H](C(=O)O)C3)n2)c(F)c1 49543830 OZDGWQSHNWJKAD-LBPRGKRZSA-N 389.383 1.381 0 50 GDAA O=C(NCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(F)cc1 91829811 YIFAKHZZXUBMRV-UHFFFAOYSA-N 380.379 1.736 0 50 GDAA CN(CCN1CCCCCC1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426479721 KGQWAEOHJFBECD-INIZCTEOSA-N 375.517 1.474 0 50 GDAA CC(=O)N1C[C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@@]2(C(=O)O)C1 97772770 AVOWZVOSEBPABO-YOEHRIQHSA-N 384.354 1.639 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 95378036 FHMTWLAMRWZIJL-DLBZAZTESA-N 384.484 1.759 0 50 GDAA COC(=O)c1cccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)c1 96180187 ZWTDCWGHGXOYFX-UHFFFAOYSA-N 384.440 1.207 0 50 GDAA CC[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)C1 91935117 WJOKCUOQQLSTFT-MRXNPFEDSA-N 376.425 1.607 0 50 GDAA CN1CCCN(C[C@@H]2CN(C(=O)c3ccn(C(C)(C)C)c3)C[C@@H]2CO)CC1 91915203 KNLPFYGWEAFHND-RTBURBONSA-N 376.545 1.561 0 50 GDAA CN1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 299228705 POCHKKKNOCHRGM-MRXNPFEDSA-N 391.491 1.433 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1c(C)nn(C(C)C)c1C)C2 534581953 CSCUHHDXHPJQTH-UHFFFAOYSA-N 394.501 1.118 0 50 GDAA CNc1ncc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)cn1 299789633 ZYNBAFFWRKMGDM-UHFFFAOYSA-N 380.408 1.941 0 50 GDAA COCC[C@@H]1CN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO1 299797220 PGGFNJYMUZEXHL-SNVBAGLBSA-N 377.850 1.257 0 50 GDAA O=C(NC[C@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1)c1ccon1 827928391 MTZGNCDYKDMNKK-CQSZACIVSA-N 395.419 1.053 0 50 GDAA COC[C@H](OC)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2c1cc(-c2ccccn2)nc(C)n1 1875280611 AEMGNZLTUZEBHR-PIKADFDJSA-N 397.479 1.734 0 50 GDAA COCCNCCNC(=O)N1Cc2cnn(-c3ccncc3)c2CC(C)(C)C1 952895243 SKWHQVDSLVXXQN-UHFFFAOYSA-N 386.500 1.597 0 50 GDAA CCc1nc2cc(NC(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C)C(=O)[C@@H]35)O4)ccc2n1CC 952979934 PMQFLUZSXPOHQG-JWVYWZTKSA-N 380.448 1.969 0 50 GDAA C[C@@H](C(=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2)n1cnc2ccccc2c1=O 888088317 KMRUCXAHANWYOR-FPXQBCRKSA-N 394.475 1.817 0 50 GDAA C[C@H](C(=O)N1CCC(CNC(=O)CN2CCCCCC2)CC1)n1cncn1 952988511 MKSQXDDDIIIDFM-MRXNPFEDSA-N 376.505 1.070 0 50 GDAA CCOc1cc(C(=O)N2CCC([C@@H](C)NC(=O)CCCC(N)=O)CC2)ccn1 1775991739 MPOPKYOYUQUIJV-CQSZACIVSA-N 390.484 1.493 0 50 GDAA Cc1conc1C(=O)N1CCN([C@H]2CCCN(C(=O)CCC(C)C)C2)C(=O)C1 1775990454 XLUSYDNQNWDKIK-INIZCTEOSA-N 390.484 1.695 0 50 GDAA O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2cccs2)CC1)N1CCOCC1 190089091 SKFWSZZMQWXDIU-IAGOWNOFSA-N 389.521 1.838 0 50 GDAA O=C1CCc2cc(C(=O)CCC(=O)NS(=O)(=O)c3cccnc3)ccc2N1 767955222 RLIZMBSFYOTGHQ-UHFFFAOYSA-N 387.417 1.434 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)C[C@@H](O)CO)cc1 1704335490 AKDDICLASVIEOZ-CQSZACIVSA-N 375.425 1.376 0 50 GDAA CCOC(=O)N1CCC(N2CCCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)CC1 1775982473 PXRPOAYKIMCFCZ-MRXNPFEDSA-N 394.516 1.010 0 50 GDAA COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccoc1)CC2 11995686 NLYDQHWJMAAWBI-UHFFFAOYSA-N 381.436 1.868 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)cc1C 12431432 CIBQHABQDNJOAJ-GOSISDBHSA-N 382.464 1.406 0 50 GDAA Cn1cc(CN2C[C@H](OCc3cccnc3)CN(Cc3ccoc3)CC2=O)cn1 14743288 RMMWITGUSKDYFJ-HXUWFJFHSA-N 395.463 1.838 0 50 GDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3ccc(F)cc3)nn2)n1 19924096 YRXPOTCKFOHEMC-UHFFFAOYSA-N 376.417 1.500 0 50 GDAA COc1ccc([C@@H]2CN(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CCO2)cc1 1857528461 GUZOFLSNDIKPPF-KRWDZBQOSA-N 388.449 1.797 0 50 GDAA Cc1nonc1CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857698584 ZBZVDGNFHJESGU-CYBMUJFWSA-N 398.448 1.490 0 50 GDAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1CC(=O)N(c2nccs2)C1 1857717154 MVZKOAXZVOLCTF-HNNXBMFYSA-N 385.493 1.672 0 50 GDAA O=C(c1cnc2ccccc2n1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857720785 KHFFARHAKVWPKC-UYBVGCJSSA-N 375.428 1.839 0 50 GDAA Cc1cncc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857739729 QFDZXSIZPXFHMF-UHFFFAOYSA-N 382.468 1.602 0 50 GDAA CC(=O)N1CC[C@@]2(O)CCN(Cc3cc(Cl)ccc3OCC(N)=O)C[C@H]2C1 247932459 KEAOQRXQLRBAJT-KXBFYZLASA-N 395.887 1.009 0 50 GDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccccc1N1CCCC1 248013381 PVFYNJHOOQFNRA-MSOLQXFVSA-N 384.524 1.911 0 50 GDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)Nc1cncc(Br)c1 926080166 QEXNHNUMLDTFSA-LBPRGKRZSA-N 383.246 1.651 0 50 GDAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)Cc1cccnc1)C[C@@H]2O 2356142378 PQEZXGCRHUWOFE-IRMYBRCSSA-N 395.503 1.151 0 50 GDAA N=c1[nH]c(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cs1 2356151836 CHLIEPMZALTFSO-LXIYXOSZSA-N 378.498 1.456 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)Cc2nc(-c3cccnc3)n[nH]2)C1 2356156335 WNKLOYQGECZTPR-HXUWFJFHSA-N 390.451 1.118 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(C[C@@H]2CCCNC2)CC1 2356162563 FENPWAQTRZMIRN-MRXNPFEDSA-N 387.528 1.298 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3nnc4n3CCCC4)C1)CC2 2356165623 LNBSXPILBJFVHI-HXUWFJFHSA-N 381.484 1.591 0 50 GDAA Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 6492419 YYDLGCSTVWTBPV-UHFFFAOYSA-N 399.432 1.455 0 50 GDAA CCOC(=O)[C@@H](C)NC(=O)N1CCn2nc(-c3nc4ccccc4[nH]3)cc2C1 67723926 KYEVFGFSOFJHSB-GFCCVEGCSA-N 382.424 1.903 0 50 GDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)NCCNC(C)=O)[C@H](c2ccc(OC)cc2)N1C 67818847 HQLKTVVVEVATDG-ZWOKBUDYSA-N 391.468 1.174 0 50 GDAA O=C(NCCCc1ccc(F)cc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20208584 YUHAFVBEMLXNAX-SFHVURJKSA-N 391.487 1.445 0 50 GDAA CN1CCCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1 67790182 DIEHSFDZIRNOFD-UHFFFAOYSA-N 387.528 1.160 0 50 GDAA O[C@@H]1CCN(c2ccnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)C1 65502572 OEHUSWMFMQQNQS-MRXNPFEDSA-N 383.452 1.099 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c1 65363690 SCXGIZDROMADMT-UHFFFAOYSA-N 378.454 1.313 0 50 GDAA CCn1cc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cn1 71422446 OJHLTICLNYPVIY-SFHVURJKSA-N 387.528 1.632 0 50 GDAA COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1OC 261733632 SVLVZRRBIRVRAI-CQSZACIVSA-N 379.434 1.986 0 50 GDAA CC(C)C(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72463204 VFGUTPATCPEKAQ-OAQYLSRUSA-N 386.496 1.585 0 50 GDAA NC(=O)c1csc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71763641 FAWKPAUUGUKPFL-AWEZNQCLSA-N 391.541 1.545 0 50 GDAA Cc1cc(CN(C)C(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)n[nH]1 71759404 VEVKYKLIJHYXHY-KRWDZBQOSA-N 387.528 1.790 0 50 GDAA CCOCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71747774 NNTTUOLOOGHHBA-KRWDZBQOSA-N 388.512 1.437 0 50 GDAA NC(=O)C[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C1CCCCC1 176801411 QSEUCHHCZUFGHA-HNNXBMFYSA-N 383.452 1.525 0 50 GDAA COc1cccc(N2C[C@H](C)N(C(=O)c3cnc4ccnn4c3C)CC2=O)c1 82137640 LIJGCKKJCOALDZ-ZDUSSCGKSA-N 379.420 1.924 0 50 GDAA CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnc(N)nc2)c1 95529490 SBFDSPUUYIYGLT-GFCCVEGCSA-N 377.470 1.408 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)NCCSc2nncn2C)CC1 426489511 HOSKKWRHROOSAX-UHFFFAOYSA-N 375.502 1.138 0 50 GDAA Cc1nonc1CC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 95516880 MJBXIDNADPXTLS-UHFFFAOYSA-N 397.479 1.789 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(CCCn4cnnn4)C3)CCC2=O)cn1 91988551 QLAXOQXHHTXPSQ-LJQANCHMSA-N 384.488 1.066 0 50 GDAA CN(C)C(=O)[C@H]1CN(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)CCO1 426668385 OGUXPRRSGCFMLH-OAHLLOKOSA-N 375.404 1.214 0 50 GDAA O=C(N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O)c1nnc2n1CCCCC2 426525914 KZWNLBKNRKJHJN-HZPDHXFCSA-N 383.452 1.010 0 50 GDAA O=C(Cc1cnccn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 95528278 CYOKNYPPTQZAPT-QGZVFWFLSA-N 388.493 1.377 0 50 GDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1cccc(OC)c1)CCN2C 91859938 DBVOQVZTSFIAMX-NRFANRHFSA-N 375.513 1.840 0 50 GDAA NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 95528994 SCAMUGVLGGLAGE-UHFFFAOYSA-N 376.420 1.552 0 50 GDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccncc3)N=C2O)cc1OC 252570790 XFHPZNYIFCUGRE-OAHLLOKOSA-N 398.419 1.430 0 50 GDAA COc1ccccc1CN1C(=O)[C@@H](CC(=O)NCCc2ccc(O)cc2)N=C1O 253535760 CLLWWABTKPESJZ-QGZVFWFLSA-N 397.431 1.775 0 50 GDAA COc1nc2c(cc1CNC(=O)Cn1cc(C)cn1)C(=O)N(C1CCCC1)C2 71750517 YLIZBAKPVUVJND-UHFFFAOYSA-N 383.452 1.810 0 50 GDAA CS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(=O)C3CCOCC3)C2)cc1 827763570 APFJRABRJZBQMM-QGZVFWFLSA-N 394.537 1.845 0 50 GDAA Nc1nc(CCC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cs1 828005501 FQALTQVDPXCKSY-RNFHDMOYSA-N 397.548 1.342 0 50 GDAA Cc1cccc(N2CCC(NC(=O)c3cc4ncc(CCO)cn4n3)CC2)c1 828773605 DADGXUAFAPEIDX-UHFFFAOYSA-N 379.464 1.971 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N[C@@H](Cn1cccn1)c1ccccc1 670454837 SKCSNHGEEIGOOM-IBGZPJMESA-N 391.479 1.353 0 50 GDAA O=S(=O)(NCCN1CCCC[C@H]1CO)c1cc2nc(O)[nH]c2cc1Cl 670471895 JVELVUAYTPBANM-JTQLQIEISA-N 388.877 1.047 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(-c5cnsc5)nn4)cc3C2=O)C(=O)N1 1875356057 SDUNUMMQDPPJLF-OAHLLOKOSA-N 394.416 1.152 0 50 GDAA Cc1nc(C(=O)N2CCCOCC2(C)C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300186 QAOKTXQZWPHAGF-MRXNPFEDSA-N 375.517 1.875 0 50 GDAA C[C@@H](Cn1cccn1)C(=O)NCC1CCN(C(=O)C(=O)Nc2ccccc2)CC1 952968432 LZKULPCSLSSEGR-INIZCTEOSA-N 397.479 1.513 0 50 GDAA COCCn1cncc1CN1CCC(CNC(=O)c2scnc2C)CC1 952985976 VBXRAKXSUAZWAG-UHFFFAOYSA-N 377.514 1.936 0 50 GDAA CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 171537486 PAAZPNWYCMUGPD-UHFFFAOYSA-N 384.827 1.948 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N(C)CCN3C[C@H](C)O[C@H](C)C3)cc12 194025886 XRMMEDQVQULVGP-BETUJISGSA-N 381.502 1.006 0 50 GDAA O=C(C1CCC1)N1CCCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 1259381937 ORFSHXDGAHQHKK-UHFFFAOYSA-N 379.438 1.557 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc2cccc(F)c2n1 1704301046 HPHRAAOMFSZJML-SWLSCSKDSA-N 381.429 1.010 0 50 GDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)C[C@@H](C)n2cccn2)CC1 1704325723 MDZHBIFPLWMRAF-QGZVFWFLSA-N 386.500 1.744 0 50 GDAA C[C@@]1(O)CCOC2(CCN(Cc3cc(O)c4cccc(F)c4n3)CC2)[C@H]1O 1704343969 IFXZYMAEHQUQNQ-RBUKOAKNSA-N 376.428 1.946 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)no1 1772709322 FMEQNFWLZQESFN-HNNXBMFYSA-N 389.452 1.924 0 50 GDAA COc1ccccc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1 14533501 JZESDWDJFLYHAG-SZMVWBNQSA-N 399.491 1.863 0 50 GDAA COCCn1c(CN2C[C@H](C)O[C@H](C)C2)cnc1S(=O)(=O)CC(C)(C)C 15072662 JSTJEFSUMLSIOH-GASCZTMLSA-N 387.546 1.959 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1nc2ncccc2o1)c1cccc(F)c1 1857668103 UXDISXFWFWPNQK-UHFFFAOYSA-N 378.385 1.444 0 50 GDAA CC(C)C[C@@H]1[C@H](C(=O)NC2CCC2)C[C@@H]2CN(c3nccc(=N)[nH]3)CC(=O)N21 1857682133 IYEXYYNJNSMYAW-BZUAXINKSA-N 386.500 1.010 0 50 GDAA COc1ccc(CCCC(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857683195 FVEAGQLVOUYITC-KSZLIROESA-N 380.510 1.204 0 50 GDAA O=C(Cn1nc2ccccc2n1)N[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 1857706717 OJLPNIHCDAEVGU-UONOGXRCSA-N 398.854 1.947 0 50 GDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)CCOc3ccccc3)C[C@]23CC[C@H]1O3 1857727970 HPHMVBVKTKOPHT-WJFTUGDTSA-N 380.510 1.436 0 50 GDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857730522 VNIXKUNEBYTVIK-OAQYLSRUSA-N 391.431 1.619 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)CN(CC(C)C)C(=O)CCO3)cn1 1857733691 UVGBMGMNVBQIEQ-UHFFFAOYSA-N 375.469 1.970 0 50 GDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)cc2n1 1875250812 JJHJOPWADSKKPH-RYUDHWBXSA-N 383.374 1.459 0 50 GDAA COC(=O)c1nc(N2CCN(c3ccc(C(N)=O)cc3)CC2)c2sccc2n1 2325863543 NISIUFRVSXBDBL-UHFFFAOYSA-N 397.460 1.903 0 50 GDAA Cc1ccnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 1292400 VNBWNUCDUOJCPU-UHFFFAOYSA-N 397.258 1.077 0 50 GDAA CCn1cncc1CNC(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356139597 GAPWMAGFSLZVDL-ZVGUJKQYSA-N 379.464 1.851 0 50 GDAA N=c1nc(-c2ccccc2)c(C(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)c[nH]1 2356153408 FQLWNUFOWLOHLA-AVRDEDQJSA-N 390.443 1.651 0 50 GDAA O=C(CNS(=O)(=O)c1cccs1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356166960 FKMXSYPVXRFJHH-HUUCEWRRSA-N 380.491 1.403 0 50 GDAA O=C1CN(Cc2cc(Cl)ccc2OC[C@H](O)CN2CCCCCC2)CCN1 12591315 YSMIKIKOFMQVGP-GOSISDBHSA-N 395.931 1.888 0 50 GDAA O[C@H](CNC1CCCCC1)CN1CCN(C[C@H](O)CNC2CCCCC2)CC1 20436810 PLNXOLIDWMZROI-FGZHOGPDSA-N 396.620 1.170 0 50 GDAA NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O 100036907 BOCUKUHCLICSIY-OSGJSWLFSA-N 389.886 1.230 0 50 GDAA world CN1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 20052143 DGCTXNLGFJTZKQ-UHFFFAOYSA-N 394.324 1.529 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 57895177 CDQXCZNZRODFAA-UHFFFAOYSA-N 379.482 1.814 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H](C(=O)O)N(C)C1 1506401427 RCXIUDYFMXGRPS-PWSUYJOCSA-N 376.862 1.483 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@H]1COc2ccccc2O1 252477162 JIBFUZDDXURKRK-DBXWQHBBSA-N 382.460 1.826 0 50 GDAA Cc1cc2c(cc1C)O[C@@H](c1nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o1)C2 328633439 LZZDVZTYMUYVFU-CABCVRRESA-N 379.438 1.696 0 50 GDAA CN(Cc1cnc(N(C)C)nc1)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 329480375 CXJBJGKBUNIBJV-OAHLLOKOSA-N 377.514 1.593 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)Cn3nc(C)nc3C)CC2)c1 77284652 XSRSMQSTMHCMLC-CQSZACIVSA-N 385.468 1.524 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1ccc(C)nc1)CO2 71747456 TVQSJSUBQQCLTP-KRWDZBQOSA-N 398.463 1.992 0 50 GDAA Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)cc1C(=O)N1CCOCC1 365926898 GNTZBZNCAKJXPD-UHFFFAOYSA-N 396.403 1.446 0 50 GDAA COC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC 77525361 GBTOEVGLHDCHIT-SCTDSRPQSA-N 395.459 1.652 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1 35360240 URXAQWZLUAQYHT-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OC)n1 242038604 VMLDEWOOWXMSNV-ZNIXKSQXSA-N 381.454 1.958 0 50 GDAA CC(C)c1nc(CCN(C)C(=O)c2cn(CC[C@H]3CCCCN3)nn2)no1 77300689 LMBZYUBUMAZMQV-CQSZACIVSA-N 375.477 1.631 0 50 GDAA O=C(COc1cccc(C(=O)N2CCOC[C@@H](CO)C2)c1)N1CCCCC1 77420389 SLFUHKIOJMVDIK-MRXNPFEDSA-N 376.453 1.159 0 50 GDAA O=C(NCCc1nccs1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71614057 NJPXGMCYMIYNHI-INIZCTEOSA-N 390.553 1.915 0 50 GDAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@H](C)CO)cnc21 14542008 XDNVNURWTWANFE-VXGBXAGGSA-N 390.440 1.611 0 50 GDAA CN(C)CCCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 82108203 RNIFYEXDHJSFQV-SFHVURJKSA-N 378.561 1.654 0 50 GDAA CN(C)C(=O)[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 289707130 KQMZYNKSGYMBCZ-RVKKMQEKSA-N 379.526 1.948 0 50 GDAA C[C@H](Cn1cccn1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95524274 HAKXCVHSPNGBPC-OAHLLOKOSA-N 396.495 1.555 0 50 GDAA Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c(C)c1C 91304517 SXCXSDMIQBZIKE-PKOBYXMFSA-N 381.480 1.967 0 50 GDAA CC(C)[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1NS(=O)(=O)N(C)C 95380929 CPIMPOLJJCRSPJ-JKSUJKDBSA-N 387.477 1.084 0 50 GDAA Cc1c(CC(=O)N[C@@H]2CCNC2=O)c2c(n1Cc1ccccc1)CCCC2=O 95507775 MOWMJNGFSXFGCI-QGZVFWFLSA-N 379.460 1.911 0 50 GDAA COc1cc2c(cc1C(=O)N1CCC(c3nccn3CC(N)=O)CC1)CCC2 96131608 JOLVRJVFEYQPNM-UHFFFAOYSA-N 382.464 1.886 0 50 GDAA COc1ccc(OC)c([C@H](C(=O)O)N2CCC(N3CCNC(=O)CC3)CC2)c1 95360716 YZTZJSSBUBVWOV-LJQANCHMSA-N 391.468 1.116 0 50 GDAA COc1cc(F)c(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1OC 95353347 RZILUODMVHSRPM-CYBMUJFWSA-N 380.416 1.740 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2cscn2)c1)N1CCOCC1 95380728 POSFFFPUMMNWLT-UHFFFAOYSA-N 381.479 1.137 0 50 GDAA CSc1ncccc1C(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91364498 HPMRHZKZAXUYJL-QKPAOTATSA-N 379.526 1.593 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(CCCN(C)C)CC2)cc1Cl 244218675 VYNQTUFBWIXCTJ-UHFFFAOYSA-N 375.922 1.607 0 50 GDAA O=C(Nc1ccc(-n2cc(CO)nn2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 184247522 PTLCZWLTMUPKPA-FQEVSTJZSA-N 393.447 1.599 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 55168121 DEVGGTGMPLZNCO-INIZCTEOSA-N 375.498 1.184 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCN(c2nc3ccccc3s2)CC1 827939191 QNSMFOCSCAJCHU-ZDUSSCGKSA-N 394.522 1.705 0 50 GDAA CC1=NO[C@](C)(C(=O)N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)C1 822324367 ILDNLDKKTUMZAA-SFHVURJKSA-N 375.425 1.668 0 50 GDAA O=C(NCCCc1ccco1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 584903926 SYUWZYQOVPHFMH-UHFFFAOYSA-N 398.529 1.660 0 50 GDAA COc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1875256747 ABACWBQRHHUOFI-AWEZNQCLSA-N 380.466 1.307 0 50 GDAA CCCN1C(=O)CC[C@H](C(=O)NCC/C=C/C(=O)OC)[C@H]1c1cncn1C 1875318101 FFZJEQQSNOTTIK-FQUZHUSPSA-N 376.457 1.345 0 50 GDAA CC(C)Oc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cnc2c(cnn2C)c1=O 1875313089 HDTATPNDEWUQJT-KRWDZBQOSA-N 381.436 1.721 0 50 GDAA CNC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1 1875341939 PTOUPHCCGACNEH-HHARLNAUSA-N 378.517 1.390 0 50 GDAA CN(CC1=CCCOC1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 888101307 HVSBZALTHPPMOH-CQSZACIVSA-N 399.538 1.747 0 50 GDAA CC[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C[C@]2(CCOC2)O1 225441082 SQAPBILJNRBCLH-JXFKEZNVSA-N 387.411 1.782 0 50 GDAA O=C(NC[C@@H]1CCC2(CCN(CCN3CCCC3=O)CC2)O1)c1ccco1 1506426872 VQQZVQVILURPFK-INIZCTEOSA-N 375.469 1.645 0 50 GDAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@H]2CC1=O 1529138447 BBPZHZHGIAOFEJ-HLLBOEOZSA-N 393.509 1.411 0 50 GDAA CC(C)c1noc(C2CCN(CC(=O)NCc3ccc(C(=O)O)o3)CC2)n1 1529174523 XPEOSEKABGXPGL-UHFFFAOYSA-N 376.413 1.980 0 50 GDAA CCCCc1ncc(CN2C[C@@H]3CN(C(=O)c4ccc(N)nc4)C[C@]3(CO)C2)[nH]1 1772815729 USIJSTCYBVYTHP-IERDGZPVSA-N 398.511 1.296 0 50 GDAA Cc1cc2n(n1)CCN(C(=O)[C@@H]1CCc3sc(N4CCOCC4)nc3C1)C2 1775979536 WTNIWYCDIOUMQO-CQSZACIVSA-N 387.509 1.632 0 50 GDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H]4COCC[C@]4(CO)C3)ccc21 1772712796 ZCDUJSNJLPCBNP-VQIMIIECSA-N 394.493 1.005 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cccc(C)n1 11938133 NURHWVXPPSXZBW-IBGZPJMESA-N 396.491 1.448 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ncc[nH]2)c(C)c1C 12302548 LAXGUPRWCOKKMN-QGZVFWFLSA-N 399.495 1.384 0 50 GDAA COC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)Cc2ccc(OC)cc2)C1 12314216 UGKNCHQFSQMAPZ-KRWDZBQOSA-N 390.480 1.936 0 50 GDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2nccs2)nn1 12709100 CZHXVIIRDMWWBH-AWEZNQCLSA-N 376.486 1.970 0 50 GDAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14532771 SVHFNTNCFLKVTE-MRXNPFEDSA-N 393.484 1.261 0 50 GDAA Cc1ccnc(N2CCC3(CC2)OCCc2cc(C(=O)NCCO)sc23)n1 1857698317 LIWJEFPHQWFINR-UHFFFAOYSA-N 388.493 1.637 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCc3ccc4nc[nH]c4c3)CC2=O)s1 1857713371 WYKVDOINSOVIJM-LLVKDONJSA-N 386.437 1.230 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccccc4N4CCOCC4)[C@@H]2CC(=O)N13 1857717960 IDCIRKNJSGSDQJ-JQVVWYNYSA-N 399.491 1.721 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857733521 NDZRLYJCFICOMS-IRXDYDNUSA-N 395.463 1.257 0 50 GDAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc(-c2cccnc2)nc2ccccc12 1875246578 RPFJHFMUXXLZIA-UAFMIMERSA-N 377.400 1.554 0 50 GDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)C2 1875251498 PBADVCLMJVETHY-MSOLQXFVSA-N 391.475 1.882 0 50 GDAA O[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1N1CCN(c2ccccc2F)CC1 216644698 BKOUBDXCPGLHNH-OALUTQOASA-N 396.470 1.859 0 50 GDAA CCCCc1ccc(-n2nnc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 12274102 FUDBWIDTZNRYJJ-HNNXBMFYSA-N 376.482 1.835 0 50 GDAA Cc1nnc2n1C[C@H](CNC(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2 2100542883 JMYPYNJQWRSBHN-INIZCTEOSA-N 393.447 1.467 0 50 GDAA CN(C)C1(CNC(=O)N=c2ccn(-c3nccs3)[nH]2)Cc2ccccc2C1 2325708340 DIXJYFFCCFKUJS-UHFFFAOYSA-N 382.493 1.971 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C23C4C5C6C4C2C6C53)CC1 2332238136 OSASFRKPKJPQTH-UHFFFAOYSA-N 378.428 1.960 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)CC1 660630 NUKGJMSHXBUNPF-CQSZACIVSA-N 383.470 1.142 0 50 GDAA COCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 1834017 JNIKPHYTISOTMU-UHFFFAOYSA-N 394.453 1.496 0 50 GDAA CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1 2960945 DRLGXFWSONEHSS-ZDUSSCGKSA-N 376.438 1.927 0 50 GDAA CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)NC(=S)N[C@]1(O)C(F)(F)F 4269902 WRLCEQUZNVPEHY-COPLHBTASA-N 392.355 1.364 0 50 GDAA O=C1C[C@@H](N2CCC(CCN3CCOCC3)CC2)C(=O)N1c1ccc(F)cc1 4738638 RFWVWCAVQQVMTH-LJQANCHMSA-N 389.471 1.892 0 50 GDAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccn2)CC1)[C@@H]1CCOC1 11934386 JLGMWWHZDQDUFH-OAHLLOKOSA-N 383.452 1.659 0 50 GDAA COc1ccc(Cn2cc(C(=O)N3CCC[C@@H](CN4CCCC4=O)C3)nn2)cc1 12372955 CZMULDQGBYVPSL-KRWDZBQOSA-N 397.479 1.810 0 50 GDAA Cn1c(=O)c2c(nc3n(CCCO)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 12427917 IWOLQNXJLQVIOW-UHFFFAOYSA-N 387.827 1.389 0 50 GDAA O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)nn1 12453704 KCUYICIBHUEYFP-MRXNPFEDSA-N 377.876 1.881 0 50 GDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccc(F)cc4)c3)CCN2C1=O 14749328 ZYLVMZIPLQHSIN-RTBURBONSA-N 399.470 1.569 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2cnn(C)c2)cc1 15061866 CJOORXVAHPIUSZ-IBGZPJMESA-N 383.496 1.120 0 50 GDAA Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1Br 19619029 MUAJAZHWLOMKPA-UHFFFAOYSA-N 377.304 1.676 0 50 GDAA Cc1c[nH]c(C(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1 20999128 IMHRTZADDIJJAX-WOJBJXKFSA-N 397.523 1.154 0 50 GDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N[C@@H](Cc1ccccc1)C(=O)O 49548853 JLPFWRZCGQDYTI-SFHVURJKSA-N 395.390 1.862 0 50 GDAA CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 55060363 HABGUDSADLMMGH-UHFFFAOYSA-N 382.464 1.945 0 50 GDAA O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)CSc1ncn[nH]1)C2 67741559 WGMDFTBOKBHFCU-UHFFFAOYSA-N 383.437 1.388 0 50 GDAA CCc1cc(C(=O)N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[nH]c3=O)C2)[nH]n1 67878874 QYDCLYBVHJVTLQ-UHFFFAOYSA-N 392.419 1.020 0 50 GDAA O=C(NCCCn1ccnc1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71524501 JSWBISUAGWBNED-SFHVURJKSA-N 387.528 1.502 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2O)CCCN1CC1CC1 71746432 BHAJMMQAWHZWHE-GOSISDBHSA-N 384.484 1.950 0 50 GDAA Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71758952 XFEXZKSMRSXYQT-QGZVFWFLSA-N 387.528 1.756 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)[C@@H]1CCCNCC1)C2 72158565 KDFNNHPYJDBXLB-OAHLLOKOSA-N 380.496 1.879 0 50 GDAA O=C(O)CN1CC2(CCN(C(=O)C3(N4CCCC4)CCCC3)CC2)OC1=O 77339401 MUVGDIHQQXOHJH-UHFFFAOYSA-N 379.457 1.293 0 50 GDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)N)CC3)s1 77421406 PCLSZNYNVQESTG-UHFFFAOYSA-N 395.510 1.269 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N[C@@H](C)c1cn2ccsc2n1 77440006 AZWPJNOZLGIEHN-LBPRGKRZSA-N 382.449 1.929 0 50 GDAA CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91952067 CKJGXPASOPBHGG-UHFFFAOYSA-N 375.517 1.524 0 50 GDAA CCCN1C[C@H](NS(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)CC1=O 95363108 XBNCCGCJKNZZCA-OAHLLOKOSA-N 379.482 1.258 0 50 GDAA CCc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)on1 95377329 GFNIEDWWOXDYEO-CQSZACIVSA-N 379.438 1.234 0 50 GDAA Cc1n[nH]c(C)c1CCCNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 95381511 HFVSMVVYBAVZLM-UHFFFAOYSA-N 376.482 1.830 0 50 GDAA CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)CCNS(C)(=O)=O)CC2 95527637 SIISNPQFLSSUNC-KRWDZBQOSA-N 379.526 1.406 0 50 GDAA COc1cc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)cc2c1OCO2 104487195 DRCBAERNUHKLBQ-GOSISDBHSA-N 391.512 1.387 0 50 GDAA Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc4ncccc4c3)CC2)cn1C 134980696 KDZVBTXGUADRDR-UHFFFAOYSA-N 399.476 1.423 0 50 GDAA Cc1cc(N2C[C@@H](C(=O)N3CC[C@@H](CN)C3)CC2=O)ccc1Br 178558920 YMSWVHXPXQIHFU-STQMWFEESA-N 380.286 1.918 0 50 GDAA Cc1nccc(N2CCN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)CC2)n1 184932438 JELSNXILWKUYSC-HXUWFJFHSA-N 399.470 1.646 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCS(=O)(=O)C[C@H](C)C1 191900563 AJDUXVOKRUORMT-ACJLOTCBSA-N 391.493 1.108 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)C3(N4CCCCC4)CCCCC3)C[C@@H]2O)CC1 206272592 MPNZOSAIHNAIDX-PMACEKPBSA-N 392.588 1.384 0 50 GDAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCSCC2)c1 216454979 URUITSOCNWJJDB-UHFFFAOYSA-N 378.479 1.144 0 50 GDAA COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCCO)C2)cc1C(=O)O 219794093 GBSFOXXASBNHPG-AEFFLSMTSA-N 390.480 1.979 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244787845 QERYWEWFZFPXTE-QAQDUYKDSA-N 397.479 1.854 0 50 GDAA CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CC[C@@H](C(=O)O)C2)cc1 262972860 KBNPLLHGAZYUEA-UKRRQHHQSA-N 397.497 1.894 0 50 GDAA O=S(=O)(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccccc1Cl 285255542 AXACNXQONJSWAN-LLVKDONJSA-N 378.903 1.575 0 50 GDAA Cc1ccc2ncc(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)c(O)c2c1 287910307 PPMJIEIOZPCYRB-BFUOFWGJSA-N 390.461 1.715 0 50 GDAA CC(C)C(=O)N1CCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1 299784366 TUAAQVWYYHJMMY-UHFFFAOYSA-N 376.482 1.501 0 50 GDAA Cn1ncc(Cl)c1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328603464 GCEVLUDWAAMXOS-CQSZACIVSA-N 392.891 1.304 0 50 GDAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 363071490 OYIBKZRKEPAZQB-BSKAQADGSA-N 384.480 1.104 0 50 GDAA COc1ccccc1CC1(O)CCN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 368264289 FBBQMFGNZFPFLJ-GOEBONIOSA-N 396.509 1.207 0 50 GDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 426496747 ALUDURKAAHYGLY-CQSZACIVSA-N 381.488 1.851 0 50 GDAA O=C(N[C@H](c1ccccc1)c1ccco1)N1CCN(CCn2cncn2)CC1 426594781 FDKZPNBPTPUUTQ-LJQANCHMSA-N 380.452 1.988 0 50 GDAA CC(C)(C)N1C[C@@H](CNC(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O 426658199 JHLBOTMJMUTJGZ-CYBMUJFWSA-N 378.448 1.502 0 50 GDAA CC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)c3cnn4cc(C)cnc34)CC2)C1 825249277 RPMNZWKPLDUHRS-FQEVSTJZSA-N 398.467 1.561 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)c2cnc(O)nc2O)C1)c1ccc(Cl)cn1 952874086 UPKNHVSECMEONB-JTQLQIEISA-N 391.815 1.218 0 50 GDAA O=C(CCCn1cncn1)NCC1CCN(c2nnnn2-c2ccccc2)CC1 952989684 XWLOMXQWVMKKEC-UHFFFAOYSA-N 395.471 1.067 0 50 GDAA CN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC1 1506430724 YCQQTJPAKQFMIO-MRXNPFEDSA-N 382.468 1.532 0 50 GDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)c(=O)n1 1565531219 IBHUCMPBZAOCDH-MJGOQNOKSA-N 381.480 1.378 0 50 GDAA Cc1cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc2ccc(Cl)cc12 1616068925 BFWSWDCCTFJXNS-WBMJQRKESA-N 383.901 1.885 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1nc2ccccc2s1 1704315849 WUIYRAMDFZBPQB-JSGCOSHPSA-N 397.522 1.252 0 50 GDAA COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)O)cn1CC(OC)OC 1772715449 HDJZLVRNTJZNRI-UHFFFAOYSA-N 391.376 1.531 0 50 GDAA NC(=O)C1CCN(CC(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC1 1857675754 DWDMJMHXGRECOL-UHFFFAOYSA-N 381.480 1.201 0 50 GDAA COCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3ccc[nH]3)[C@@H](OC)C2)[nH]n1 1857686835 DWWAAFXBKWMCRH-NUTKFTJISA-N 389.456 1.114 0 50 GDAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)NC3CCC3)C[C@@H]2O)c2c(C)noc2n1 1857707164 HBTKAFWVFAJAFQ-RCBQFDQVSA-N 386.452 1.768 0 50 GDAA CC(=O)Nc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c1 1857712262 UKZQCQWFHRPODN-XYJFISCASA-N 381.498 1.421 0 50 GDAA O=C(CNC(=O)c1ccccc1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857729483 NSCOAQJOYSHECX-SLFFLAALSA-N 379.460 1.747 0 50 GDAA CCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(C)nc3C)[C@H]3CC[C@]2(C1)O3 1857737702 ZEKYRNSWMKOIIV-XKGFGPFHSA-N 387.480 1.471 0 50 GDAA C[C@]1(O)CCN(C2CCN(S(=O)(=O)c3cc(F)cc(C(=O)O)c3)CC2)C1 1875269647 YJGDHRHDTREUFA-KRWDZBQOSA-N 386.445 1.134 0 50 GDAA O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C(F)F)n1 1875272675 JDPBCFDIZGCZIX-UHFFFAOYSA-N 377.351 1.315 0 50 GDAA CCc1cn2c(n1)CC[C@@H](C(=O)N1CCCN(c3ncnc4[nH]cnc34)CC1)C2 1875295312 FWJWJSHBOVKIBL-CQSZACIVSA-N 394.483 1.413 0 50 GDAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccc(C)nn1 1875313363 PNBSWJCHCDOFFN-NSHDSACASA-N 399.856 1.971 0 50 GDAA CO[C@H]1COCC[C@H]1NC(=O)NS(=O)(=O)c1ccc(-n2cccc2)cc1 1875330943 JALOUHBBAPPQRY-CVEARBPZSA-N 379.438 1.269 0 50 GDAA CC[C@@H](O)Cn1cc(-c2ccc(C(=O)N3CC(F)(C(=O)O)C3)c(F)c2)nn1 1875353807 GQTNIMQCBDYIPR-LLVKDONJSA-N 380.351 1.104 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCC2)c(C2CC2)n1 1875392938 AHHLJUUFHBZTBK-HNNXBMFYSA-N 392.525 1.711 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H]3CCCc4nn(C)cc43)C2)n1 1875397721 LJIDLNOOAKNYIT-GDBMZVCRSA-N 383.500 1.432 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 2325741791 AAUUBYBJRARKMB-SEEARECTSA-N 381.498 1.929 0 50 GDAA Cn1cnc2c1CCN(C(=O)c1ccsn1)[C@@]21CCN(C(=O)c2cnco2)C1 2325776940 PGMYSNQPQQQHMO-GOSISDBHSA-N 398.448 1.305 0 50 GDAA COc1cc(C(=O)N2C[C@@H](CC(=O)N3CCOC[C@H]3C)OCC23CCC3)on1 2325785151 FQCMLAQEYAAXKT-ZIAGYGMSSA-N 393.440 1.084 0 50 GDAA C[C@@H]1C=C[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@H]1C(=O)NCC(=O)c1c(F)cccc1Cl 2325798304 IHWYTTGDVFUBBV-QPNXVFALSA-N 392.814 1.831 0 50 GDAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc(-n3cccn3)ccc1C)C2 2356151593 PCFSFIFKHKDCQG-YJBOKZPZSA-N 377.466 1.464 0 50 GDAA O=C(c1cc(O)cc(OCC2CC2)c1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356162439 KABXIJSLGBSYGM-ROUUACIJSA-N 377.437 1.298 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)N=c3[nH]n(C)c4cccc(Cl)c34)CC2=O)s1 2356152138 BUXGXQAXKZONBA-VIFPVBQESA-N 390.856 1.800 0 50 GDAA COc1cnc(N[C@@H]2C[C@@H](C(=O)NCCc3ccncc3)CC[C@H]2OC)nc1 2356167851 FTQWZCOOMCQFAZ-CGTJXYLNSA-N 385.468 1.835 0 50 GDAA COCc1noc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1 2356168102 PRKKEFUCQUCSQU-DOXZYTNZSA-N 378.473 1.477 0 50 GDAA O=C(O)c1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc(C(=O)O)c1 4845976 PAXGBTKJLQBDOK-UHFFFAOYSA-N 382.328 1.989 0 50 GDAA COC(=O)c1c(NC(=O)N2CCN(CCO)CC2)sc2c1CC(C)(C)OC2 20588665 WISSSJOZNIQWDA-UHFFFAOYSA-N 397.497 1.528 0 50 GDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2C[C@@H](O)CN2)CC1 67868757 AKVXNJJWUQOURL-MOPGFXCFSA-N 395.507 1.056 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nc(C)cs3)CC2)C1 67784571 VVGPHGFHCSPVTD-INIZCTEOSA-N 380.558 1.891 0 50 GDAA CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)C1 229976953 NZQNMQBJSNZBMC-OWCLPIDISA-N 397.516 1.824 0 50 GDAA C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)C(=O)NC(C)(C)C 121192922 UPIRJHIGFLLSQB-TZMCWYRMSA-N 378.448 1.924 0 50 GDAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598178 HOWGHNVBBXOWND-UHFFFAOYSA-N 388.428 1.312 0 50 GDAA CC(=O)Nc1ccc(Cl)c(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)c1 65461882 MGRDWQLFVWLQBK-UHFFFAOYSA-N 388.855 1.942 0 50 GDAA C[C@@H](C1CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)CC1)N1CCN(C)CC1 77503341 IULVGQSQOPFXFO-HNNXBMFYSA-N 385.512 1.543 0 50 GDAA CC(C)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 366351007 WBYGYFKAUFOVFP-YLJYHZDGSA-N 387.528 1.662 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)NCc1ccccc1F 72418411 NVMZCSPARFESMB-AWEZNQCLSA-N 386.427 1.585 0 50 GDAA Cc1cc(=O)c(C(=O)N2CCNC[C@@H]2c2nccn2C)nn1-c1ccccc1F 261707989 KIVLFOXKAWDBTB-MRXNPFEDSA-N 396.426 1.200 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO1 262107221 NRXMRHNYQVYQAJ-KRWDZBQOSA-N 389.429 1.586 0 50 GDAA O=C1[C@@H](N2CCC[C@]3(CCS(=O)(=O)C3)C2)CCN1c1c(F)cccc1F 333115870 UAYANQRAPNIHHH-YJBOKZPZSA-N 384.448 1.971 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)CC(C)(C)CO)CO2 71757294 VRDOCHHGBADWCX-HNNXBMFYSA-N 377.485 1.453 0 50 GDAA CCn1c(C)nnc1SCCNc1nc(C)nc2c1CCN(C(C)=O)C2 71730546 GEDBESBEGMQQLV-UHFFFAOYSA-N 375.502 1.814 0 50 GDAA CS(=O)(=O)N1CCC(CNC(=O)NCC2(N)C3CC4CC(C3)CC2C4)CC1 333951768 ZHKFPIHQRAZKSG-UHFFFAOYSA-N 398.573 1.111 0 50 GDAA CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1 263234458 CIXBNHFNJDVPEI-JTQLQIEISA-N 388.346 1.438 0 50 GDAA C[C@](O)(CNS(=O)(=O)Cc1ccc(Cl)cc1Br)C(=O)O 263489578 ODPZEDHIGSXWDO-NSHDSACASA-N 386.651 1.358 0 50 GDAA O=C(NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccs1 223989169 WTVUABKXDDFCFF-LLKNDRQVSA-N 380.425 1.991 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(c3ccc4[nH]ncc4c3)C(=O)C2)C2(CCCC2)O1 82120247 CDPHKQXHBFYAQX-OAHLLOKOSA-N 382.420 1.614 0 50 GDAA CC1CCN(C[C@H](O)CN2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 145660782 BKGDEBKBITUVIC-KRWDZBQOSA-N 381.542 1.509 0 50 GDAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)n1 91769696 QBEBVUAUCQGHLT-HNNXBMFYSA-N 389.500 1.568 0 50 GDAA NCCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(-n3cccn3)c2)c1 97572112 UGENMFPKMOEGPV-UHFFFAOYSA-N 399.476 1.039 0 50 GDAA Nc1ncc(CN2CCC3(CC2)CCN(C(=O)c2cc[nH]c2)C[C@H]3CO)cn1 97813672 AUKXYVAAERPMCP-KRWDZBQOSA-N 384.484 1.124 0 50 GDAA CCn1nccc1S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91412529 IFRJNQFRHYFBTE-SFHVURJKSA-N 380.514 1.706 0 50 GDAA CC(C)CN1CCN(Cc2nnc(-c3cccnc3)o2)[C@H]2CS(=O)(=O)C[C@H]21 95512070 VKVPEHDLGHOJOF-CVEARBPZSA-N 391.497 1.071 0 50 GDAA CC(=O)c1cc(CC(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cs1 95370762 MVFZQNAAYOGYNU-IBGZPJMESA-N 377.510 1.648 0 50 GDAA COCCN1C[C@]2(CCCN(C(=O)CCCn3ccnc3C)C2)CCC1=O 91651621 SNTKPPAKFNYWLT-HXUWFJFHSA-N 376.501 1.849 0 50 GDAA Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)cnn1C 239306195 GNKPIMWCTMKOLJ-KBMXLJTQSA-N 382.530 1.824 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 95510893 KJNDRCDYNWQXJW-KRWDZBQOSA-N 379.468 1.820 0 50 GDAA CNC(=O)CNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 95510263 IFUNJYPWSATAFT-UHFFFAOYSA-N 385.439 1.908 0 50 GDAA NC[C@H]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 299740365 YZEGAGQRJNFPOQ-LLVKDONJSA-N 382.258 1.372 0 50 GDAA CSCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2[nH]nc3cccc(F)c23)C1 252490247 KNAGEVHQBJGTGY-GHMZBOCLSA-N 380.445 1.285 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 281692929 VIWKIDGVFZXIEQ-AWEZNQCLSA-N 393.440 1.690 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCO)CC[C@H]1O)c1ccc(-c2ccccc2)cc1 1940195556 XDMNMNGUGRZPJW-XUVXKRRUSA-N 382.460 1.722 0 50 GDAA COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 38197764 XUBOMFCQGDBHNK-JTQLQIEISA-N 375.400 1.980 0 50 GDAA aggregator,biogenic,fda CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1c(O)nc2ccccc2c1=O 299754446 PXHCBHLTSADOAB-YJBOKZPZSA-N 384.480 1.825 0 50 GDAA biogenic CC(C)Cc1nc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)no1 821483432 ZMWAYASKOHFZDD-UHFFFAOYSA-N 380.426 1.534 0 50 GDAA Cn1cc([C@@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)[nH]n3)C2)nn1 1875286477 UKKSBVFOPFVZDB-CQSZACIVSA-N 394.435 1.996 0 50 GDAA CCc1nc(C)c(C(=O)NC[C@@H]2CCCN(C(=O)c3snnc3C)C2)o1 952986839 BFVSXPGTDLWJMK-LBPRGKRZSA-N 377.470 1.988 0 50 GDAA O=C(O)CN1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 275205737 HDIKZXTYBGJPAH-UHFFFAOYSA-N 395.250 1.416 0 50 GDAA O=C1C[C@H](C(=O)N2CCn3c(Br)cnc3C2)CN1CC(F)(F)F 170614505 LGEPQMLPPSSWCU-QMMMGPOBSA-N 395.179 1.399 0 50 GDAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(=O)Nc2ccccc21 186620770 MAZLPORAYWPRDJ-UHFFFAOYSA-N 391.497 1.599 0 50 GDAA Cc1ncsc1CCN(C)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1506405705 NNLQAMYPSQESIU-HNNXBMFYSA-N 385.555 1.352 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C[C@H]2O)on1 1704299161 NBJSOARQARNFLP-CRAIPNDOSA-N 384.436 1.497 0 50 GDAA OC[C@@]12CN(Cc3cc[nH]n3)C[C@@H]1CN(C1CCN(c3ccccc3F)CC1)C2 1772704621 JUVNVIZJGVUXQM-VGSWGCGISA-N 399.514 1.944 0 50 GDAA CN(C)C[C@]12CN(Cc3cccnc3N)C[C@@H]1CN(C(=O)c1ccccc1F)C2 1772806490 AGHGKXICEQTAJX-VGOFRKELSA-N 397.498 1.939 0 50 GDAA CCOC(=O)CCNC(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1 11771296 GYMNSHBPRIOISE-UHFFFAOYSA-N 392.452 1.768 0 50 GDAA CN(C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1)[C@H]1CCOC1 11814593 CHJHRKXWMYHOTH-RYUDHWBXSA-N 377.466 1.874 0 50 GDAA CC(=O)NCC(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 12577000 ISOPLOUKIPVDSG-UHFFFAOYSA-N 397.479 1.754 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1OC 13153485 KRHSFOBGHWEIRI-CLWJZODNSA-N 378.421 1.861 0 50 GDAA Cc1nc(CCNC(=O)CSc2ccc3nnc(C)n3n2)nc2c1CCCC2 14881784 NDTCAQXGBPXMFM-UHFFFAOYSA-N 397.508 1.861 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)c1OC 14977979 NQGIRQSYYWQADY-HNNXBMFYSA-N 395.525 1.264 0 50 GDAA CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 19899264 BHIYAZOELMZIFR-UHFFFAOYSA-N 375.408 1.611 0 50 GDAA CCc1nc([C@@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)Cc3c[nH]nc32)n[nH]1 1857528771 IOQWEVHASCEXFG-OAHLLOKOSA-N 393.451 1.580 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCCOc3ccccc3)CC2=O)s1 1857673068 FIDGCDHFJFMDER-GFCCVEGCSA-N 376.438 1.233 0 50 GDAA O=C(CNC(=O)c1ccccc1)N[C@H]1CCC[C@@H](NC(=O)c2ccncc2F)C1 1857702205 DQVUQJKIHPSTOV-JKSUJKDBSA-N 398.438 1.808 0 50 GDAA COc1cccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1OC 1857719839 WUWOAVPGEIGSOO-WGQQHEPDSA-N 383.444 1.913 0 50 GDAA Cn1nccc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857734422 JGBRKQFYMVBEEB-PMACEKPBSA-N 384.480 1.459 0 50 GDAA C[C@@](O)(CCc1ccccc1)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 368486308 ZJJBGJAJYOPOIG-JOCHJYFZSA-N 397.475 1.934 0 50 GDAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2ccc(F)cn2)C1 2325751217 ODNVNGGTHHMTKQ-ZBEGNZNMSA-N 376.413 1.267 0 50 GDAA CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CCN1C(=O)Cc1c(F)cccc1F 2325793735 GGLMBNFGWDVAFL-YRNRMSPPSA-N 393.434 1.672 0 50 GDAA CS[C@H](CNC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)C(C)(C)C 868493058 KGZOTUJYNBHRLZ-CYBMUJFWSA-N 377.518 1.982 0 50 GDAA CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)C1=O 912313531 FXZIGBKYTWUHIN-SLHNCBLASA-N 383.492 1.213 0 50 GDAA CN(C)C1(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc23)CCOCC1 113991439 DUXTVHMVGNKJAW-HNNXBMFYSA-N 389.525 1.887 0 50 GDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCOCC1 100623596 RPAUZIPJAFTKEN-VMXHOPILSA-N 380.444 1.264 0 50 GDAA C1CCCN(c2nc3nonc3nc2N2CCC(N3CCOCC3)CC2)CC1 20513723 OYKWOVMRDJOVTJ-UHFFFAOYSA-N 387.488 1.694 0 50 GDAA O=C(c1ccc(=O)[nH]c1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67603844 LMZCGQGGVJIXLH-QGZVFWFLSA-N 386.496 1.314 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccon1 72129113 GLAKLGBIKOEIMM-HNNXBMFYSA-N 396.369 1.700 0 50 GDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1OC 72437005 VSLLXFILINDMII-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA CC[C@@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 245398607 TZDBAHBWULOKJV-NVXWUHKLSA-N 397.541 1.604 0 50 GDAA O[C@@H]1CN(c2noc(C3CC3)n2)CC[C@H]1N1CCN(c2ccccc2F)CC1 72156940 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CDELORSDIAJUNH-FGZHOGPDSA-N 387.568 1.862 0 50 GDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(-n2cnnn2)ccc1F 97823451 SPMRZVFJONBKNI-CQSZACIVSA-N 377.424 1.376 0 50 GDAA CC(C)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1 95352193 FGAAFYIYUCETPK-FZDBZEDMSA-N 378.494 1.870 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1ccc(F)cc1 96160128 GJJGUZAWUDEAGP-SJORKVTESA-N 375.444 1.803 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ncc(C(N)=O)s1 298273594 CGWUBTZFWWEGAG-LBPRGKRZSA-N 388.449 1.884 0 50 GDAA COc1ccc([C@@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1 263588697 XJIRXRYCIJBGJK-OAHLLOKOSA-N 388.420 1.868 0 50 GDAA C[C@@](N)(CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)Cn1cccn1 1875287493 LWPZRMRENVHCPU-MRXNPFEDSA-N 381.267 1.914 0 50 GDAA COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CCc2ccccc21 1875297598 XSMDZYCYOUQWTJ-UCLAIMLFSA-N 396.447 1.161 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNc2ncnc3cnn(C)c23)N1Cc1ccccc1 1875395147 NJYLGMUWETVQKQ-QRWLVFNGSA-N 382.468 1.427 0 50 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UDGPOTRAZGOZLJ-NQIIRXRSSA-N 383.496 1.656 0 50 GDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 12002023 JSYRMMGFTHKNRX-CQSZACIVSA-N 380.466 1.777 0 50 GDAA CO[C@@H]1CN(Cc2c(C)nn(C)c2Cl)CC(=O)N(Cc2cccnc2)C1 14746931 GYRNPKJHUBUNGE-OAHLLOKOSA-N 377.876 1.636 0 50 GDAA COc1ccnc(C(=O)N2CCC[C@]3(C2)CN(c2ccnc(C)n2)CC[C@H]3O)c1 1857688559 PVAKHKOVAGMIND-WIYYLYMNSA-N 397.479 1.682 0 50 GDAA CCS(=O)(=O)N1C[C@H](C(=O)O)C2(CCN(C(=O)CC3CCCC3)CC2)C1 1857692853 XEBIZSUXVBTPFM-OAHLLOKOSA-N 386.514 1.542 0 50 GDAA COCCn1nnc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CCO2)n1 1857718314 SOHPCSMQTFCFRV-KRWDZBQOSA-N 384.440 1.252 0 50 GDAA COCc1noc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(c3nncs3)CCO2)n1 1857719578 OYZBMXGOZYRMRJ-LAQFHYBYSA-N 392.485 1.470 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cncc(F)c3)CC(=O)N2[C@H]1c1ccccc1 1857726449 RGQASCBSIAXERO-LNLFQRSKSA-N 397.406 1.808 0 50 GDAA COc1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)cc(Cl)c1OCC(N)=O 127337848 RYWZCPPVSJTLNV-LLVKDONJSA-N 395.809 1.939 0 50 GDAA COc1ccc(CNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1Cl 163163351 YNQPOQCSLGAITI-CQSZACIVSA-N 391.859 1.995 0 50 GDAA O=C(O)CS(=O)(=O)CCN1CCN(c2cc(Cl)ccc2Cl)CC1 844837946 FATUYCQXWXFQOG-UHFFFAOYSA-N 381.281 1.615 0 50 GDAA C[C@H]1CN2C(=O)[C@@H](Cc3c[nH]c4cccc(Br)c34)NC(=O)[C@@H]2CO1 2325801482 KTBYZPIFTFZTLI-FZZIBODNSA-N 392.253 1.587 0 50 GDAA CCC[C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)c2[nH]ccc2C)C1 2332237664 GQUJVMKSQPETBL-BZUAXINKSA-N 395.525 1.505 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc2c(c1)OCO2 1009413 HSXXKYCRIUTPKT-CLWJZODNSA-N 392.404 1.581 0 50 GDAA Clc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 1113016 WSKQISBDINZTGF-UHFFFAOYSA-N 390.875 1.810 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@@H]1c1ccccc1 4470987 NZVVEPRVOZAXCY-GSPCDJLXSA-N 379.441 1.736 0 50 GDAA Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCOCC1 4870365 NYRFYCXJVLOOII-UHFFFAOYSA-N 393.444 1.086 0 50 GDAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N3CCOCC3)c(C(=O)O)c1)C2=O 5094506 YYMPNZIKTWMBGM-UHFFFAOYSA-N 396.355 1.720 0 50 GDAA CCCCc1nnc(NC(=O)CSc2nc(O)c(NC(C)=O)c(=O)[nH]2)s1 10076859 RNUGCDJLECXCEI-UHFFFAOYSA-N 398.470 1.359 0 50 GDAA O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12302165 YFVZPQDTZNLWDG-CYBMUJFWSA-N 398.448 1.350 0 50 GDAA COc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl 13667695 HCRLQBCIVTXCPW-NSHDSACASA-N 377.894 1.181 0 50 GDAA CCCc1c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cnn1-c1ccccc1 14532010 AYQHSQALUOOINC-GLJUWKHASA-N 395.463 1.042 0 50 GDAA COCCn1c(CN(C)[C@@H](C)c2ccon2)cnc1S(=O)(=O)CC1CC1 19771240 TVXPDKMSYHUXHE-ZDUSSCGKSA-N 382.486 1.894 0 50 GDAA O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCOCC1 19860092 MSHIKLYAIIHQRQ-HNNXBMFYSA-N 386.901 1.741 0 50 GDAA CCN(C)C(=O)c1ccc([C@@H]2CCCN2C(=O)CCn2nnnc2C)s1 20999176 VHGFIKKXNKOIQQ-ZDUSSCGKSA-N 376.486 1.889 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3cccnc3)C2=O)c1 67872535 FYLLTGLWAZTYQT-NRFANRHFSA-N 387.455 1.915 0 50 GDAA Cc1ncc(C)c(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71747871 KWQFOPKILMKQLZ-SFHVURJKSA-N 387.528 1.633 0 50 GDAA O=C1CN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CCN1 71767923 JHUKBBJLYKCENQ-HXUWFJFHSA-N 398.551 1.364 0 50 GDAA CCc1noc(CN(CC)C(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)n1 77488891 WQYMSIMAPXVFAO-UHFFFAOYSA-N 384.440 1.396 0 50 GDAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 91402404 QAFHKHKOKBXEBT-UHFFFAOYSA-N 380.474 1.333 0 50 GDAA CNc1nc(C)cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)n1 95391927 RJTWFDDUNSZEKH-CVEARBPZSA-N 376.505 1.134 0 50 GDAA CCn1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 95524889 RXHUKSSWHVVJTN-UHFFFAOYSA-N 382.468 1.552 0 50 GDAA O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1CCc1ccccc1 100129913 AHWMHUBGTALUMC-IBGZPJMESA-N 379.460 1.884 0 50 GDAA NC(=O)c1cccc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 112506080 MTERHJDNBNOPGN-SFHVURJKSA-N 396.495 1.171 0 50 GDAA CC(=O)NCC(=O)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777607 YXBDSOHTDJIMCK-HNNXBMFYSA-N 395.423 1.295 0 50 GDAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)COc4ccc(F)cc4)C3)nn2)n1 169778100 YFAIDKNMCXCXBL-CYBMUJFWSA-N 386.387 1.882 0 50 GDAA C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ncnn1C 170608519 HQOVKYRKGCODEJ-VIFPVBQESA-N 391.229 1.165 0 50 GDAA NC(=O)c1ccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nc1 176798432 BSMHCNHXQBAJML-UHFFFAOYSA-N 384.411 1.237 0 50 GDAA O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nn[nH]n1 218307655 ADBCHBJPHMIGCH-INIZCTEOSA-N 389.375 1.343 0 50 GDAA O=C(C1CCCCCC1)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 225397453 CNLOLGLIGHMQJO-CVEARBPZSA-N 378.498 1.261 0 50 GDAA COC(=O)[C@@]12[C@H]3C[C@]4(CCC4=O)[C@H]4[C@H]3[C@@H]3[C@H]1[C@@]1(CCC1=O)C[C@H]3[C@]42C(=O)OC 247813996 FIWIWCSYFWAURN-ZZZHKXJHSA-N 384.428 1.549 0 50 GDAA C[C@@H]1C(=O)N(CN(C)[C@H]2CCS(=O)(=O)C2)C(=O)N1c1ccc(Cl)cc1 252444201 QKPZHMKPOYAICH-RISCZKNCSA-N 385.873 1.574 0 50 GDAA COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@](C)(N)c2ccccc2)C1=O 262895875 PADKTGYTGWDSGX-AUUYWEPGSA-N 387.461 1.630 0 50 GDAA COCc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 265408720 WOQXHQPQSVAMSP-UHFFFAOYSA-N 396.447 1.219 0 50 GDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 276474798 NSZCHXSJGHOJKE-ZDUSSCGKSA-N 393.850 1.963 0 50 GDAA COc1cccc(NC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 299793950 HSTQFICUXGNVMS-UHFFFAOYSA-N 382.486 1.575 0 50 GDAA CC(C)N1CCN(CCNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 426493031 AROUKKFIONSBCK-LJQANCHMSA-N 378.492 1.935 0 50 GDAA Cc1ccc(F)c(-c2cc(NC(=O)c3ccc(S(N)(=O)=O)nc3)n[nH]2)c1 444810315 DZNZANGXUDHYKC-UHFFFAOYSA-N 375.385 1.819 0 50 GDAA Cc1noc([C@@H]2CCCN2C(=O)NCC2(N3CCN(C)CC3)CCCC2)n1 534634207 HKJCHTWZTIBBQV-INIZCTEOSA-N 376.505 1.785 0 50 GDAA CC(C)N1CC[C@H](N2CCC(c3ncc(C(=O)N4CCOCC4)o3)CC2)C1=O 888103053 CMBLXDOQWFKZML-INIZCTEOSA-N 390.484 1.336 0 50 GDAA Cc1nn(-c2ccccc2)c2sc(C(=O)NS(=O)(=O)[C@H]3CCNC3)cc12 901101096 MMSCJPQJSQTCBS-ZDUSSCGKSA-N 390.490 1.817 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cs1 952968283 BNSCCIPYNFNGOG-CYBMUJFWSA-N 399.538 1.663 0 50 GDAA O=C(c1ccc2nnc(O)n2c1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 1355230973 BRFRNPSFZZZENH-HUUCEWRRSA-N 379.420 1.557 0 50 GDAA CN1C[C@@H](NC(=O)c2nc(N)nc3c2CCCC3)c2sccc2S1(=O)=O 1506426356 HBVAIRALUGSGDR-LLVKDONJSA-N 393.494 1.104 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)Cn3ccc(O)nc3=O)CC1)OCC2 1704338532 UHCFKXHPBFISNY-UHFFFAOYSA-N 385.420 1.048 0 50 GDAA O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)c2cn3cccnc3n2)CC1 1772702291 VKJZFCNJMUFRTI-UHFFFAOYSA-N 381.411 1.786 0 50 GDAA CC(=O)NCCC(=O)N[C@@]1(C)CC2(CCN(CCC=C(C)C)CC2)OC[C@@H]1O 1772702552 CRKPBRPHVPDHLK-ICSRJNTNSA-N 395.544 1.360 0 50 GDAA CCC1=NO[C@@H](CN2CCCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)C1 1772812722 OHIBYVDLXNGZPN-LJQANCHMSA-N 382.468 1.970 0 50 GDAA Cn1ccnc1CN1C[C@H]2CN(c3nnc(-c4ccccc4)s3)C[C@]2(CO)C1 1772815582 WCRZKXIXLRJDDF-JXFKEZNVSA-N 396.520 1.869 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775979730 LYRDBTUGTZCGTN-FQEVSTJZSA-N 379.468 1.903 0 50 GDAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)CNC(=O)c2ccc(F)cc2F)o1 1857528391 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91950569 RXURCGJMNWDDJU-CSNVJCEJSA-N 384.480 1.588 0 50 GDAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](CO)[C@H](CN2C[C@H](C)O[C@H](C)C2)C1 91966039 ZVSHQPGHAYZPGS-LTCOOKNTSA-N 378.517 1.135 0 50 GDAA CCCNC(=O)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95363039 DSPFKRAOCOKAMG-KFKAGJAMSA-N 385.464 1.330 0 50 GDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)ncn2CCO 95372465 RZVNUJOFQVJVFE-UHFFFAOYSA-N 377.404 1.537 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 95524836 RTXAZIFPJLXKJA-OAHLLOKOSA-N 386.496 1.981 0 50 GDAA CC(=O)N1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1 95528199 LHSZXBUGHZNYDY-HXUWFJFHSA-N 375.513 1.576 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)[C@H]4CCOc5ccccc54)CC3)ncnc21 170849470 NSGBCCVKGNSKLP-HNNXBMFYSA-N 378.436 1.578 0 50 GDAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 188309851 RGIDVFUTNXKKNS-KRWDZBQOSA-N 393.491 1.889 0 50 GDAA Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)cc1F 225800884 QCCZGVXCOMUMRI-INIZCTEOSA-N 399.470 1.912 0 50 GDAA Cn1ccc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)n1 252523043 BRPUMGSPHITVIN-OAHLLOKOSA-N 380.408 1.598 0 50 GDAA CCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 266522256 ZXQPXSSRBXBBKA-UHFFFAOYSA-N 376.413 1.784 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 275769376 XOFBVZCISCKZKO-HUUCEWRRSA-N 385.468 1.679 0 50 GDAA COCCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299775255 HPPCSELFCRCWQA-IBGZPJMESA-N 380.460 1.933 0 50 GDAA Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1 328625532 KVQWJDIUDGSKEY-JKSUJKDBSA-N 377.422 1.289 0 50 GDAA CN(C)c1nc(CN2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)ns1 328627444 GEGYBPPGGXPXEW-CQSZACIVSA-N 391.545 1.539 0 50 GDAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)COC[C@@H]1CCOC1 328633653 SSKFAXDDUQHONA-CHWSQXEVSA-N 375.391 1.976 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CC[C@@H](CN3CCOCC3)C2)n1 328653619 WZEBAGUHQGLWLD-BJLQDIEVSA-N 389.544 2.251 0 50 GDAA CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)c1 363787363 URIXBMUSHVLIBG-GOSISDBHSA-N 384.484 1.863 0 50 GDAA Cc1cc(-c2cccc(C(=O)N[C@H]3C[C@H]4C(=O)NCC(=O)N4C3)c2)cc(C)n1 426372155 COTKNVRHJRMANZ-ROUUACIJSA-N 378.432 1.195 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 828248055 KNJAQGBKPXXJES-ZDUSSCGKSA-N 379.482 1.163 0 50 GDAA Cn1cc(CCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21 886025243 GFMGBAWYGIMEFS-GOSISDBHSA-N 390.443 1.978 0 50 GDAA COc1ccc([C@@H](NC(=O)c2nnn([C@H]3CCNC3)c2C)c2nccn2C)cc1 888101798 OLNNBEJINOLMIZ-MAUKXSAKSA-N 395.467 1.382 0 50 GDAA COCCN1C[C@@H](C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)CCC1=O 952863016 UFAUTXADNSOBHY-ZDUSSCGKSA-N 376.409 1.484 0 50 GDAA O=C(CCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)Nc1nncs1 952970124 RULVMAWWIYKMMB-AWEZNQCLSA-N 387.465 1.678 0 50 GDAA O=C(CN1CCOc2ccccc2C1)NCCn1ncc2ccccc2c1=O 952977656 BORWGFZQYZRCEA-UHFFFAOYSA-N 378.432 1.407 0 50 GDAA O=C(NCc1nc(Cc2cccs2)no1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 952981614 MRGGJAXSRNQXJJ-CYBMUJFWSA-N 397.460 1.782 0 50 GDAA COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cncnc1C 1321782777 ZDQCUOIGJGDTAU-JTQLQIEISA-N 399.856 1.971 0 50 GDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 1329985488 OVGDLJHXBVKPQR-CYBMUJFWSA-N 380.242 1.315 0 50 GDAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)c1 1529172857 QMPYOLSZLLBDOH-MRXNPFEDSA-N 380.452 1.645 0 50 GDAA O=C(c1cn2ccccc2n1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 1565514110 WBHQJGPKCFNCKT-WBVHZDCISA-N 375.432 1.993 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1F 1704341229 ROGWPTXAIFECHX-WBVHZDCISA-N 386.445 1.394 0 50 GDAA COc1ccc(CN2C[C@@H]3CN(C(=O)Cc4ccccn4)C[C@@]3(CO)C2)c(C)c1 1772813152 XLIVOEXTPOAYJH-AUSIDOKSSA-N 395.503 1.894 0 50 GDAA C[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C)c2)c1=O 1857523656 YAGSZKAJPHGVOV-NSHDSACASA-N 387.827 1.397 0 50 GDAA O=C(NCCc1cc[nH]n1)[C@]12COC[C@H]1CN(Cc1cccc3[nH]ccc13)C2 1857690515 LPXIWMIANLHKSS-IIBYNOLFSA-N 379.464 1.698 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3ccc(O)cc3)CC2=O)s1 1857720006 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CC1(C)CCN(C(=O)CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325893129 XLKWTMSAQFBLLB-MRXNPFEDSA-N 398.463 1.118 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N1CCc2nc(C3CC3)nn2CC1 2356149555 IICDMMNQERSZBT-UHFFFAOYSA-N 378.436 1.340 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 893221 MMMBLHIJRQAWHW-UHFFFAOYSA-N 390.461 1.851 0 50 GDAA O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917310 KBZTZHLUJXRDDK-UHFFFAOYSA-N 396.490 1.649 0 50 GDAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 1136940 AGIZUCFQISCQPK-UHFFFAOYSA-N 377.495 1.248 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@]2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 2356140004 PPQAOFJISWQKLJ-GOSISDBHSA-N 397.397 1.934 0 50 GDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(C)ccc2F)C1=O 2356153903 ZDWZKBPECINQKZ-SFHVURJKSA-N 384.473 1.926 0 50 GDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCC(C)(C)O)C2=O)c1 67757210 KFXMVIAUZQGBKN-FQEVSTJZSA-N 382.476 1.781 0 50 GDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 67338736 WQXCBUJOPLLDRD-KRWDZBQOSA-N 395.525 1.572 0 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CIZXYJJWIASLFD-LJQANCHMSA-N 376.457 1.009 0 50 GDAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)N1CCN(c2ccccn2)CC1 426632945 WBZNSWRZFJCEBM-IBGZPJMESA-N 396.495 1.382 0 50 GDAA Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 426684564 VBJRUKSQECPRDP-KRWDZBQOSA-N 383.496 1.976 0 50 GDAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N1CCN2CCNC(=O)[C@H]2C1 97447021 PPVKYMMZWQQRET-QGZVFWFLSA-N 387.484 1.628 0 50 GDAA CCn1c(C)nnc1SCCNC(=O)Nc1ccc(S(C)(=O)=O)cc1 96163680 YOTWIQXEOPFCEO-UHFFFAOYSA-N 383.499 1.924 0 50 GDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)cc1 91551278 XMPLJQCOZLYYKB-GOSISDBHSA-N 379.482 1.533 0 50 GDAA Cn1cc(S(=O)(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)cn1 95524592 QXSKCFGEXCJIMI-INIZCTEOSA-N 386.481 1.628 0 50 GDAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2nncn2C)C1 95509696 SLXXJGUKHMZTLR-AWEZNQCLSA-N 377.518 1.072 0 50 GDAA CCn1nc(C)cc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95519982 GSIHIBLEZBSZMU-UHFFFAOYSA-N 396.495 1.861 0 50 GDAA CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC(O)C2)c1)c1ccncc1 95383574 ATSNKXGPSXQFHB-QGZVFWFLSA-N 375.450 1.328 0 50 GDAA NC(=O)N1CCN(Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)CC1 95500407 SVXYANDAOLDGBL-GOSISDBHSA-N 376.501 1.109 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)N3CCOCC3)C2)CN1CCc1c[nH]cn1 91574285 HREGRDDWJXEXHG-IBGZPJMESA-N 375.473 1.109 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2c1OCCO2 268504595 PSIPFUXJORHBRY-NSHDSACASA-N 380.426 1.009 0 50 GDAA O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCNCC3)c(F)c2)cc1 237704338 BOHIESBLGSMGJD-UHFFFAOYSA-N 394.428 1.622 0 50 GDAA COCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)C1 97759414 KWDZUYYFKVJODM-CYBMUJFWSA-N 381.860 1.071 0 50 GDAA COc1ccc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1OC 244734741 NLCKYKQBWQNQAJ-LXIYXOSZSA-N 378.450 1.889 0 50 GDAA COc1ccccc1NC(=O)CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 244874268 WXSQUMHFQZIWLB-HXUWFJFHSA-N 375.469 1.331 0 50 GDAA O=C(NCc1noc([C@@H]2CCCO2)n1)C1CCN(C(=O)C2CCCC2)CC1 244899338 ZIALBUGAVZWANS-HNNXBMFYSA-N 376.457 1.966 0 50 GDAA CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@H]32)[C@@H]14 252441492 YPSAOPXJHSESSR-SYNCYPOPSA-N 391.508 1.185 0 50 GDAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCC(N)=O)C(=O)OC2 276457520 OKRBMUSVWHUJAS-NYYWCZLTSA-N 390.436 1.640 0 50 GDAA COCC(=O)N1CC[C@@H](NC(=O)Cc2c(Cl)cccc2Cl)[C@H](O)C1 299762640 OPOJDMZVLQSPBC-ZIAGYGMSSA-N 375.252 1.260 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)cc2)CC1 823764716 AMUBLDOYWYGCCY-CQSZACIVSA-N 385.468 1.256 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c(C)s2)n[nH]1 670459473 IHSZHUSIZZUHAC-JTQLQIEISA-N 375.497 1.220 0 50 GDAA CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1C 1875309030 NGNLYJFLKASQRV-ZFWWWQNUSA-N 386.452 1.780 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1875370707 ZXAKAJDEJHVLTK-UHFFFAOYSA-N 385.464 1.892 0 50 GDAA CCc1c(C(=O)N2CCC(NC(=O)Cc3cncs3)CC2)nnn1CC 1875303261 JFCPWMRTIHLKNC-UHFFFAOYSA-N 376.486 1.280 0 50 GDAA O=C(CCn1cnnc1)NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1 952974296 IEGJOXUNHIGVCJ-UHFFFAOYSA-N 391.497 1.026 0 50 GDAA Cc1nccn1CC(=O)NCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 952965539 QAVMUTKRMVYRJI-UHFFFAOYSA-N 380.452 1.736 0 50 GDAA O=C1NC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 170608566 ADBCTNYWDZPQFV-IRXDYDNUSA-N 376.478 1.754 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N3CC(O)(c4ccc(F)cc4)C3)cc12 188025750 SYCHQKBIPRQXMO-UHFFFAOYSA-N 376.413 1.308 0 50 GDAA Cc1cccc(N2CCN(CC(=O)N[C@H]3COC[C@@H]3Cc3ccncc3)CC2)c1 1615737286 RMWJQDHHRQWYRU-UNMCSNQZSA-N 394.519 1.886 0 50 GDAA O=C(c1ccn(C(F)F)n1)N1C[C@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772818868 MKCKIYRPSHAYSP-FZKQIMNGSA-N 377.395 1.240 0 50 GDAA CO[C@@H]1CN(C(=O)COc2ccc(C)cc2)CC(=O)N(Cc2cccnc2)C1 14541758 VCDDOOCKZSOJPJ-IBGZPJMESA-N 383.448 1.655 0 50 GDAA COCCSc1nnc(CCNC(=O)c2cccc(OC)c2OC)n1C 15007096 JBTHWJPLJWSHEF-UHFFFAOYSA-N 380.470 1.543 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cn[nH]c1 15066681 DYPZIIPHMFPMHK-GOSISDBHSA-N 399.495 1.200 0 50 GDAA COc1ccccc1CN1C(=O)N[C@H](CC(=O)NCCc2ccncc2)C1=O 206228981 DMMZWTTVCUVSCK-MRXNPFEDSA-N 382.420 1.260 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1cnc2ccccc21 206249101 ZJARKUALMKMMDF-MRXNPFEDSA-N 395.419 1.646 0 50 GDAA COc1cc(-c2nc(CNC(=O)c3cc(=O)c(OC)c[nH]3)c(C)o2)ccc1O 1857700667 ZWQJOHKUUUMXDB-UHFFFAOYSA-N 385.376 1.991 0 50 GDAA Cc1cc(CC(=O)N2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)on1 1857719052 DBIQOTUGJICJCE-UHFFFAOYSA-N 375.469 1.936 0 50 GDAA O=C(NCc1nncn1CCc1ccccc1)[C@H]1CC(=O)N(c2nccs2)C1 1857719535 PCXZEMZUAKONLN-HNNXBMFYSA-N 396.476 1.647 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(-n5cnnc5)cc4)[C@@H]2CC(=O)N13 1857726881 DTYHYAKRZQLVHM-QKLQHJQFSA-N 381.436 1.465 0 50 GDAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](C(=O)O)C1 262943620 IAONQSLXYJKSOK-PRHODGIISA-N 376.178 1.668 0 50 GDAA Cc1nn(C)c(CNCc2cccnc2N2CCC(C(N)=O)CC2)c1Cl 921682504 GTWQDIMALOOXIA-UHFFFAOYSA-N 376.892 1.768 0 50 GDAA N[C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)C[C@@H]21 841214917 UNLLEOHWZIUBCD-PVXIVEMSSA-N 378.423 1.699 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CC[C@H]4OCC(=O)N[C@H]4C3)ncnc21 2100556699 PJSKVENLFFAQID-JKSUJKDBSA-N 386.500 1.919 0 50 GDAA COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)c(C)n23)n(C)c1=O 4250842 DCXRMKLDMZUPJL-UHFFFAOYSA-N 399.382 1.068 0 50 GDAA Cc1ncnc(O)c1CCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1 2325748282 IPCZSKMNEOMJPE-UHFFFAOYSA-N 386.412 1.059 0 50 GDAA N[C@@H]1CN(C(=O)C(=O)NCc2nc(-c3cccs3)n[nH]2)Cc2ccccc21 2325859373 XHTWFEATCZQRKW-CYBMUJFWSA-N 382.449 1.192 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1Br 869429 IZKQFUCWUWMPOP-UHFFFAOYSA-N 398.282 1.927 0 50 GDAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1 971945 FNGGGMZLRINUBI-GFCCVEGCSA-N 391.449 1.587 0 50 GDAA Cc1cc(S(=O)(=O)NCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)ccc1F 2356146620 NGKYTMQWDYALLD-NMWPEEMBSA-N 384.473 1.420 0 50 GDAA Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCO 9059734 GDXLOYIYQCNTJW-UHFFFAOYSA-N 381.436 1.083 0 50 GDAA NC(=O)C1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)CC1 25706868 WBERBLPCFVACLV-UHFFFAOYSA-N 376.416 1.723 0 50 GDAA COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCN(C)CC1)S(C)(=O)=O 20568039 KZWAZOQWORRIAN-LBPRGKRZSA-N 389.905 1.277 0 50 GDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3C)CC2)n1 67623073 LYPOALDMDWJUNY-UHFFFAOYSA-N 381.480 1.892 0 50 GDAA C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 253428170 IMDSITPCEZKQOG-KURKYZTESA-N 388.512 1.819 0 50 GDAA CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21 217118865 LYPAFUINURXJSG-AWEZNQCLSA-N 377.404 1.549 0 50 GDAA in-vitro CCn1cc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)NC)n1 2804764 KAYXRILITYGPMW-UHFFFAOYSA-N 393.288 1.887 0 50 GDAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C/C=C/c1ccc(F)cc1)C2 218945679 JUGBPEOANWKPGI-DCKQQPRJSA-N 379.457 1.629 0 50 GDAA CN1CC2(CCN(c3nc(-c4ccncc4)nc4c3cnn4C)CC2)OC1=O 72165923 JQFYEUUUHZZCPB-UHFFFAOYSA-N 379.424 1.846 0 50 GDAA CCCCN1C[C@@]2(CCCN(C(=O)CSc3n[nH]c(N)n3)C2)CCC1=O 77376468 MBQCKZJYOWSKAD-QGZVFWFLSA-N 380.518 1.510 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@@](O)(CO)CC1 72157482 VULUQQLPVRRJSQ-INIZCTEOSA-N 377.890 1.945 0 50 GDAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCC(C)CC4)n3)c(C)n2)CC1 36235748 DNRYCSDHSAFRFH-UHFFFAOYSA-N 397.527 1.914 0 50 GDAA COCc1nc([C@@H]2COCCN2C(=O)CNC(=O)c2cccc(Cl)c2)no1 378602242 WTGWPMAKHVYUCO-ZDUSSCGKSA-N 394.815 1.199 0 50 GDAA CS(=O)(=O)C1CCC(NC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1 377905612 RRQJOKJTBZQFTH-HWOWSKLDSA-N 385.530 1.529 0 50 GDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc(F)cc1)C2 219924715 MXBDGCJXQOKEEA-HXUWFJFHSA-N 383.427 1.812 0 50 GDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc3c(c2)OCO3)c1 71775935 WGXXUFNVMUCPTK-UHFFFAOYSA-N 379.390 1.705 0 50 GDAA O=C(NCc1ccccc1CN1CCCC1=O)c1n[nH]c(=O)c2ccccc12 43770290 LURMCSSRKCRCOK-UHFFFAOYSA-N 376.416 1.976 0 50 GDAA CCC[C@@H]1NC(=O)N(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)C1=O 242305007 YTZZFNBBCDJZHJ-ROUUACIJSA-N 384.480 1.714 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCN(Cc3nc[nH]n3)CC2)n1 426479742 MGWSWNQOLGICNB-UHFFFAOYSA-N 397.439 1.140 0 50 GDAA Cc1cc(C)n(CCNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)n1 95518706 LPOWXSORVAUCAE-UHFFFAOYSA-N 380.474 1.540 0 50 GDAA CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1 239415193 TZEQFQFMQZLVJN-NEYJZJCJSA-N 391.464 1.919 0 50 GDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCN2CCN(C)CC2)C3)cc1 96137311 JXVDYNLOJNLLJD-UHFFFAOYSA-N 383.496 1.608 0 50 GDAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC(n2cnnc2)CC1 426484953 ZNHNZINUFSLFMN-UHFFFAOYSA-N 395.510 1.601 0 50 GDAA Cc1ncc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c(=O)[nH]1 95511784 QMWBLPKCZKNYNU-MRXNPFEDSA-N 378.436 1.738 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)Cc3cccc(O)c3)C[C@H]2CCC(=O)O)CC1 91849235 RDHIMMBNUAMENP-MJGOQNOKSA-N 389.496 1.264 0 50 GDAA C[C@@H](CCCNC(=O)c1ccc2[nH]nnc2c1)NC(=O)c1ccc2[nH]nnc2c1 295268890 GTMYOLNWSLNGIK-NSHDSACASA-N 392.423 1.558 0 50 GDAA O=C(C[C@@H]1N=C(O)N(Cc2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 252528091 FBLZLAMZWKMATF-MSOLQXFVSA-N 381.432 1.421 0 50 GDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cc(Br)ccc1=O 299741210 DTLLXUNUHPVODZ-RTXFEEFZSA-N 383.242 1.855 0 50 GDAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)NC[C@H]4COCCO4)C3)nc2c1 299872951 YHQFADFCAUWNSJ-IRXDYDNUSA-N 384.480 1.995 0 50 GDAA COCCn1c(CN2CCOc3ccc(CO)cc3C2)nnc1[C@H]1C[C@@H](N)C1 252536082 HOLUJEIVIMAPCS-WOVMCDHWSA-N 387.484 1.016 0 50 GDAA COc1cccc(OC)c1OC[C@@H](O)CN1CCC[C@H](c2n[nH]c(C)n2)C1 268462080 LBVLVTZOFXMAFV-GJZGRUSLSA-N 376.457 1.750 0 50 GDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)N[C@H](CO)Cc1ccccc1 275906356 RSTWYBLPPLSRDD-UIBIWLFHSA-N 377.510 1.432 0 50 GDAA Cc1occc1C(=O)N1CCOC2(CCN(C(=O)C3CCOCC3)CC2)C1 827763648 GDSFTAQASRYQSP-UHFFFAOYSA-N 376.453 1.848 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 1875365481 CYAORUHFWJOWSV-FZMZJTMJSA-N 382.507 1.896 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)C2CC(n3cccn3)C2)N1Cc1ccccc1 1875396879 VWKCNDRYWCXPJF-DUWHWDBVSA-N 398.507 1.602 0 50 GDAA O=C1COc2ncnc(NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c2N1 1875336686 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C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 225663851 KGCNYWKNLKZJCG-SOIKWTOOSA-N 388.464 1.632 0 50 GDAA CN1CCN(Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCC1=O 1506421823 WCSFRKIHJNUUDM-KRWDZBQOSA-N 375.469 1.025 0 50 GDAA Cc1cn(CC(=O)N2CCC3(CC2)OCCc2ccsc23)c(=O)nc1O 1704297741 FJOOHENDLHYJQC-UHFFFAOYSA-N 375.450 1.409 0 50 GDAA Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CN(C)C)C2)nn1C 1772809567 AGBUYSUCFQLMLO-KXBFYZLASA-N 388.541 1.321 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC3)cc2)CC1 12227770 MTHWGKLESDKPAV-MRXNPFEDSA-N 376.453 1.612 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1 15068429 QLHFBDILBDELLF-SFHVURJKSA-N 392.544 1.227 0 50 GDAA C[C@@H]1CCCCN1C(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C 15673528 PEUSSCYWWMZVEO-GFCCVEGCSA-N 391.449 1.680 0 50 GDAA COCCn1c(CN2CCc3[nH]ncc3C2)cnc1S(=O)(=O)CC(C)(C)C 19224387 GLQJXLXVTOWNIU-UHFFFAOYSA-N 395.529 1.631 0 50 GDAA Cc1ccc(CN2CCC[C@@]3(C(=O)NCCOCCO)CCN(C)C[C@H]23)cc1 1857674229 ZBVOITYBMOYTBH-RBBKRZOGSA-N 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C[C@H]1CN(Cc2ncccn2)C[C@@H]1c1nc(O)c2cnn(C3CCOCC3)c2n1 504268749 IWXUVYOOUMLUTQ-BBRMVZONSA-N 395.467 1.909 0 50 GDAA O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NOCC(F)(F)F 766762655 PAPZIRCWCYCCSW-UHFFFAOYSA-N 390.177 1.974 0 50 GDAA CCOC(=O)N1CCC(NC(=O)Cn2nc3c(cc2=O)CCCCC3)CC1 888103996 RTLNLXZLEVSHCH-UHFFFAOYSA-N 376.457 1.249 0 50 GDAA COCCCOCC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952891591 GUGQWPJDAROHDK-UHFFFAOYSA-N 378.473 1.072 0 50 GDAA CN1C(=O)[C@@H](CC(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)N(C)C1=O 1506395396 HLBALLZJXHGWKU-CQSZACIVSA-N 386.412 1.090 0 50 GDAA C[C@@]1(NC(=O)c2cccnc2)CCOC2(CCN(Cc3ccccn3)CC2)[C@H]1O 1772708187 FJUZMMZHTMUKNU-LEWJYISDSA-N 396.491 1.781 0 50 GDAA CC(C)(CN)C1CCN(C(=O)c2cc3n(n2)CC2(CCNCC2)OC3)CC1 1775961928 JCOMIMZDYMPYIG-UHFFFAOYSA-N 375.517 1.373 0 50 GDAA CN(C)C(=O)CC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)CC1 1775993209 YGDQQVHEBOKJGE-ZWKOTPCHSA-N 398.507 1.551 0 50 GDAA CC(C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2nc3ccccn3c2F)C1 1775997957 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1.601 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2ccccc2C)cc1OC 2100540043 APKXLULGCVHZRU-UXHICEINSA-N 384.432 1.885 0 50 GDAA COC(=O)c1cc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)n2)ccn1 2325710609 DQMPFRKCYDUOJK-UHFFFAOYSA-N 397.435 1.180 0 50 GDAA COc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2325787616 LOYBNQYHURTINM-UKTARXLSSA-N 380.466 1.641 0 50 GDAA O=C(NS(=O)(=O)c1cc(C(F)(F)F)cnn1)c1ccc2c(n1)CCCN2 2325862072 IHAVRBFTIHFORD-UHFFFAOYSA-N 387.343 1.367 0 50 GDAA COCC1(C(=O)N[C@H]2CC3(CN(C(=O)[C@@H](C)C4CC4)C3)n3ccnc32)CCC1 2332237582 BYHDDWZEBIEAKU-HOCLYGCPSA-N 386.496 1.844 0 50 GDAA C[C@H](C(=O)Nc1cnc2sccn2c1=O)N(c1ccccc1)S(C)(=O)=O 2356151963 JFTLYBFXYNYSCV-LLVKDONJSA-N 392.462 1.549 0 50 GDAA Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N2CCOCC2)cc1 1857799175 PYAPTDGPHIFSAU-UHFFFAOYSA-N 376.438 1.277 0 50 GDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)S1 859546 ZSEBOMQLLNSJLG-CQSZACIVSA-N 389.886 1.832 0 50 GDAA Nc1nc(NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)n[nH]1 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CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3ccc(Cl)cc3Cl)nn2)CN1 67805487 BSGPYRRBJWGEGI-FZMZJTMJSA-N 397.266 1.164 0 50 GDAA Cn1nc(CC2CCN(C(=O)c3ccncn3)CC2)n(-c2ccccc2)c1=O 67491404 JWHIDFGBIQXCDA-UHFFFAOYSA-N 378.436 1.456 0 50 GDAA CC1=C[C@@H]2C(=O)NC(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)=N[C@@H]2S1 71376046 DMUWYMHWFJDEFO-QLJPJBMISA-N 387.490 1.778 0 50 GDAA Cc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCN(C)CC1 71375398 ZZDBBASKYCVXKJ-UHFFFAOYSA-N 388.493 1.256 0 50 GDAA O=C(CCn1c(O)nc(=O)c2ccccc21)Nc1ccc2c(c1F)CCNC2 261793127 UUWMNHSVSDYWOA-UHFFFAOYSA-N 382.395 1.916 0 50 GDAA NCCCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72157135 QDWOWDWFQXANCX-SFHVURJKSA-N 388.512 1.263 0 50 GDAA CC(C)c1ccc(S(=O)(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 373101453 IDGYSQGPROIQIQ-GOSISDBHSA-N 379.482 1.809 0 50 GDAA O=C(NCc1ccon1)c1cccc(S(=O)(=O)NCc2nccs2)c1 215068011 JNUSZFZJNKVWJR-UHFFFAOYSA-N 378.435 1.540 0 50 GDAA CN(C)C(=O)CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72130826 XBTSCDWDINCYMY-GOSISDBHSA-N 388.512 1.086 0 50 GDAA Cn1cc(NC(=O)CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cn1 219475382 JZFUSZRNFOMNBR-FQEVSTJZSA-N 380.452 1.543 0 50 GDAA COc1cccc(OCC(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 71759918 YWTGJQVWIYBAPJ-UHFFFAOYSA-N 392.415 1.804 0 50 GDAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc1 138894461 ZAICVBVBOXRORG-KBUPBQIOSA-N 396.465 1.580 0 50 GDAA C[C@H](O)[C@@H](N)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77437946 LYSCVIPCTFVTSM-SUMWQHHRSA-N 379.888 1.389 0 50 GDAA CC(=O)N1CC2(CCN(C(=O)Cc3ccc(F)c(C)c3)CC2)C[C@H]1C(=O)O 82092838 LKAVDDKCDNUMTN-KRWDZBQOSA-N 376.428 1.991 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1nc(-c2ccccc2)no1 20996801 WDXHKOHEEFFVOE-INIZCTEOSA-N 383.452 1.486 0 50 GDAA CCOc1cc(CN2CCN(CCOC)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1OC 91694626 MMWZPRMROIEYBZ-SJORKVTESA-N 398.525 1.024 0 50 GDAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 293537081 AFUSNGBUBXVBJB-IUODEOHRSA-N 397.401 1.813 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1scnc1C)CC2 95504030 ZMIFREVSMDKKIP-UHFFFAOYSA-N 389.481 1.337 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 426383439 YGIDHBHEKUCFND-SFHVURJKSA-N 381.480 1.757 0 50 GDAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)Cc1cc2c(cc1Cl)OCCO2 96161967 OAPZOCIPDZAHIA-INIZCTEOSA-N 377.784 1.587 0 50 GDAA CC[C@@H](O)Cn1nc(-c2ccc(Cl)cc2)nc1Cn1ccc(=O)[nH]c1=O 96135985 AYJMHOPWIGIHLE-CYBMUJFWSA-N 375.816 1.268 0 50 GDAA CNC(=O)c1ccc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)cc1 96180839 HSYAPRPKMTYDSG-UWJYYQICSA-N 385.464 1.191 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N[C@@H](CO)CCSC)CC2=O)c(OC)c1 230215354 STVUFJSXFPFDHO-CHWSQXEVSA-N 382.482 1.287 0 50 GDAA CN1C[C@H](C(=O)N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)NC1=O 95381437 RZTRGYDQULUXLL-GOSISDBHSA-N 398.507 1.484 0 50 GDAA CN1CCC(CN2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)CC1 91664959 DQCMZCDXNHUZPM-HXUWFJFHSA-N 376.520 1.914 0 50 GDAA COc1ccc2cnn(CC(=O)N[C@@H](CO)c3ccccc3)c(=O)c2c1OC 252494607 NZRLLDYIBJDGGV-HNNXBMFYSA-N 383.404 1.264 0 50 GDAA O=C(O)C[C@H](NC(=O)CN1CSCC1=O)c1ccc(Br)cc1 299741495 FHGDZZSDBVDNAE-NSHDSACASA-N 387.255 1.614 0 50 GDAA C[C@@H](NC(=O)N1CCN(CCO)CC1)c1nc(-c2ccc(Cl)cc2)no1 534658757 SPBNIHLURVRJBU-GFCCVEGCSA-N 379.848 1.771 0 50 GDAA COC(=O)c1cc(-c2cccc(C(=O)NCc3nnc4n3CCC4)c2)cn1C 584885390 YLKBESJHGOGMFV-UHFFFAOYSA-N 379.420 1.946 0 50 GDAA CN(C)c1ccc(CCNC(=O)N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)cn1 1875402576 HQKYHNIVNAPGRS-DOTOQJQBSA-N 399.499 1.707 0 50 GDAA NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCCc1cnn2c1CCCC2 1875287600 QKZUBOSPNIMTFY-WOJBJXKFSA-N 381.524 1.585 0 50 GDAA C=CC(=O)N1CC(C(=O)N(C)CC[C@@H](O)c2ccc(Br)cc2)C1 1875387765 WHTGCDMAUSLNOY-OAHLLOKOSA-N 381.270 1.975 0 50 GDAA O=C(C[C@H](c1ccc(F)c(F)c1)C1CC1)NC[C@@H]1OCO[C@H]1C(=O)NC1CC1 1875396954 YORPPKKZNMZLJW-UCLAIMLFSA-N 394.418 1.985 0 50 GDAA COC(=O)c1n[nH]c(C2CN(C(=O)C3(C)CC3)C2)c1I 1875339566 OPFWIGQKSLQYEG-UHFFFAOYSA-N 389.193 1.527 0 50 GDAA Cc1ccccc1OC[C@@H](O)C(=O)NC1(CN2CCOCC2)CCCCC1 952975275 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CCCO[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC[C@@H]1NC(C)=O 1857681641 BGIVVQUGXYIEKV-BZSNNMDCSA-N 389.500 1.225 0 50 GDAA COC(=O)c1cc(C)nc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857714217 WEAPWAZRYKOUJP-ROUUACIJSA-N 396.447 1.578 0 50 GDAA CCC(=O)N1CCC[C@]2(CCc3c2nc(C)[nH]c3=NCc2nnc3n2CCC3)C1 1857728812 NDANNUPYYOJFIS-NRFANRHFSA-N 395.511 1.573 0 50 GDAA COC(=O)c1ccc(Cl)c(CN2CCN(CCN3CCCOCC3)CC2)c1 225617989 LEQKZMNSRVTBDC-UHFFFAOYSA-N 395.931 1.967 0 50 GDAA O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21 28948453 UPROBLPRPWYJGN-UHFFFAOYSA-N 377.441 1.823 0 50 GDAA in-vitro Cc1nnnn1CC(=O)N1CC(N(C)C(=O)C[C@@H](C)c2c[nH]c3ccccc23)C1 2325869559 UDZLYMMSNKMDNH-CYBMUJFWSA-N 395.467 1.326 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1 796782 QKFVKRMGFWQQFH-INIZCTEOSA-N 389.477 1.807 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1cccc2ccccc12 1838666 VKMOZLIXIFEVIF-UHFFFAOYSA-N 379.420 1.419 0 50 GDAA COc1cnccc1-c1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 2356170185 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Cc1cc(C)cc(CN2CCN(C(=O)Cn3nc(C)c(C)cc3=O)CC2=O)c1 82097309 DHGQOBMCWDXYFS-UHFFFAOYSA-N 382.464 1.348 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)CCCN3CCCC3)cc2C1 82106164 FDRXQGHUUKLASI-UHFFFAOYSA-N 376.505 1.263 0 50 GDAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCc1nc(O)n[nH]1 426359621 LSNYJFHOMBCACA-UHFFFAOYSA-N 390.403 1.127 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)c3cccc(-c4nc[nH]n4)c3)cc2C1=O 426503997 MYOLGMHTMIJBKD-UHFFFAOYSA-N 392.419 1.781 0 50 GDAA CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)[nH]n1 91645032 DSISEYQNZHWBQQ-UHFFFAOYSA-N 384.484 1.783 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95511960 MDXFZUJUDGLSOC-QGZVFWFLSA-N 380.456 1.418 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](c3ccncn3)C2)c1 96138462 CAYSDZWPKBUYGN-CYBMUJFWSA-N 375.454 1.796 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)Cn1cccn1)CC2 92003810 VPPZFGHNAXDMGP-QGZVFWFLSA-N 376.501 1.787 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccnn2)CN1C/C=C/c1ccccc1 91678109 FSHKCXPVERXRQT-JWUWVAEESA-N 379.464 1.499 0 50 GDAA O=C(CN1CCCC1)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 96163280 RSRBAHAVRHTYQD-UHFFFAOYSA-N 383.500 1.660 0 50 GDAA COc1cccc(C(=O)NCC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 183621115 JVWBQFIWAYCEDK-MRXNPFEDSA-N 385.468 1.572 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2OC)C1=O 252538650 NCPPWPQRFRRFGN-IMJJTQAJSA-N 391.468 1.623 0 50 GDAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ncc(C(F)(F)F)cc1Cl 263639874 MRNVSONKXPSINY-NSHDSACASA-N 385.795 1.794 0 50 GDAA O=C(c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)N1CC(O)(c2cc[nH]n2)C1 1875295319 GBKHXINWMDMZSF-UHFFFAOYSA-N 385.374 1.706 0 50 GDAA Cc1cc(C)nc(-n2[nH]c(=NC(=O)C(=O)N[C@@H](C)c3cnccc3C)cc2C)n1 1875256014 NJBMDSIZADDXQR-HNNXBMFYSA-N 393.451 1.529 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N=c3ccnc(C(F)(F)F)[nH]3)C2)n1 1875301051 BDUXVIRTRXCWET-LLVKDONJSA-N 395.389 1.375 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)c(C)o1 1875393000 CPNRWLIKILPQHQ-OYLFLEFRSA-N 389.499 1.020 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ccc(-c3cccnc3)o2)ncn1 1875397877 RKLSDWHPYSYLNA-IAGOWNOFSA-N 394.479 1.927 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC(O)(CN(C)C)CC1 952976451 KNIDCFKDSOZWPS-UHFFFAOYSA-N 378.498 1.258 0 50 GDAA O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 1565506430 HLNIQKIFLPZITM-IRXDYDNUSA-N 393.915 1.473 0 50 GDAA CCOc1ccc(C(=O)NCC(=O)N[C@H](C(=O)NC)C(C)C)cc1OCC 170681838 LLSXPJQPWBURHG-KRWDZBQOSA-N 379.457 1.101 0 50 GDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2nc(-c3ccsc3)no2)cn1 279375509 XLYJGKNNADEKMN-ZDUSSCGKSA-N 379.467 1.503 0 50 GDAA C[C@@H](C(=O)NCc1cccnc1N1CCN(C)CC1)N1CCc2ccccc21 195101653 XFNMVWDUIHXWCZ-KRWDZBQOSA-N 379.508 1.901 0 50 GDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 772573624 QGWWEFCDDKILAJ-SFHVURJKSA-N 380.452 1.646 0 50 GDAA CC(=O)NC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529101791 MNMQWBIGAHNVGQ-SJORKVTESA-N 379.844 1.023 0 50 GDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCCNC(=O)C2)cc1 1704304701 IAEBVXBRPLWSLY-UHFFFAOYSA-N 384.436 1.913 0 50 GDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@]2(CN(C)C)C1 1772711156 WHHXJKQRSLJICV-KUHUBIRLSA-N 397.491 1.790 0 50 GDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)c2ncc(F)cc2F)CC1 1772706305 RFAUYBCAXXEARW-UHFFFAOYSA-N 391.422 1.884 0 50 GDAA COCCCn1c(CN(CCO)C(C)C)cnc1S(=O)(=O)C1CCCC1 12317390 XWEUVLHZZIATNV-UHFFFAOYSA-N 387.546 1.839 0 50 GDAA O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14747218 XOHJUOXRDQXXGE-MJBXVCDLSA-N 396.369 1.801 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(Cn2ccnn2)CC1 155156399 UARGTCLFEWKJTH-FQEVSTJZSA-N 394.479 1.745 0 50 GDAA CCSCC(=O)N1CCC[C@]2(C1)CN(c1cc(C)[nH]c(=N)n1)CC[C@H]2O 1857693251 OKVFGOMITZTQFY-RDTXWAMCSA-N 379.530 1.130 0 50 GDAA CCn1cnnc1CCNC(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857700811 IBUGZZAHMIKFHA-AWEZNQCLSA-N 383.456 1.800 0 50 GDAA CCc1nccn1CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCCCCC2)C1 1857704605 ZBOHYVYZIQFXOE-DYESRHJHSA-N 388.512 1.713 0 50 GDAA O=C([C@H]1CC[C@@H](C(=O)N2CCOCC(F)(F)C2)C1)N1CCOCC(F)(F)C1 333985560 GEQKKTOXYXYXIW-BETUJISGSA-N 396.381 1.391 0 50 GDAA CCCCOc1ccccc1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704327429 FBCYWRAEVYYTKF-HOTGVXAUSA-N 376.453 1.723 0 50 GDAA Cn1nccc1[C@@H]1[C@@H](NC[C@H](O)C[C@@H](O)c2ccccc2)CCC(=O)N1C1CC1 905534508 SJJMYFGJXGAQLO-MXKPZRPRSA-N 398.507 1.689 0 50 GDAA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 2370568 JDLTZOYWOJEGSZ-NYYWCZLTSA-N 391.474 1.869 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccnc(Cl)c2C1 2325794415 AQKQDEZDDBCQPD-OAHLLOKOSA-N 378.841 1.350 0 50 GDAA CSCCCCCCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(C)C1=O 2325821945 OOYRRUZXBPSBAC-OAGGEKHMSA-N 383.558 1.932 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 2325883306 ZNNHGWMMONXSND-CYBMUJFWSA-N 377.391 1.611 0 50 GDAA Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 933633688 PCKHQZHMYDYIIX-SECBINFHSA-N 381.234 1.140 0 50 GDAA CCOc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)N2CCN(C)CC2)CC[C@H]1O 2356135695 PBONWJDAPDCDEK-CGTJXYLNSA-N 389.496 1.119 0 50 GDAA O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)C1 247341670 SIPRNUCFJVJGJA-DLBZAZTESA-N 399.534 1.532 0 50 GDAA COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1 20745980 CLGOOWUIBSKRKP-UHFFFAOYSA-N 380.452 1.974 0 50 GDAA C[C@@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)C1 67604567 VURBPLLSMRGPBX-MRXNPFEDSA-N 379.526 1.636 0 50 GDAA CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 332582188 GUVUBWMEDSUMFW-QZTJIDSGSA-N 395.525 1.947 0 50 GDAA Cc1noc2ncnc(N3CCN(C4CCN(C(C)C)CC4)[C@H](CCO)C3)c12 72436345 BMYXHTYQLFODSR-QGZVFWFLSA-N 388.516 1.672 0 50 GDAA CC(C)(NC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C(N)=O 71775710 JNHDHPFDPYPSGV-KRWDZBQOSA-N 387.528 1.138 0 50 GDAA C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)N1C(=O)NC2(CCCC2)C1=O 332899065 WHUXTYKUUBJZIT-GOEBONIOSA-N 398.463 1.551 0 50 GDAA Cc1noc([C@H]2CN(S(=O)(=O)c3ccc4ncsc4c3)CCN2C)n1 284973563 KSPCQYMBSCSMME-CYBMUJFWSA-N 379.467 1.665 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)OC1=O 77285853 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COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccnc3)C2=O)cc1OC 206245156 VXNXMFOYXMPFSF-CQSZACIVSA-N 384.392 1.548 0 50 GDAA Cc1cc(Br)cnc1C(=O)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857531231 RYUYNUUTINEHAP-XBFCOCLRSA-N 379.258 1.919 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnc(C)cn2)C[C@H]1NC(=O)CSC 1857705267 AATMALXXGDFBSN-USXIJHARSA-N 394.541 1.844 0 50 GDAA O=C([C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCN(CCO)CC1 1857714174 UWRZVPJSGMHINQ-AWEZNQCLSA-N 392.887 1.834 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3ccc4ccccc4n3)C[C@H]2CO1 1857739831 UVZSMVNLCOHQAV-IKGGRYGDSA-N 382.464 1.285 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(Cc4nccn4C)C[C@]34CC[C@H]2O4)cc1 1875240823 GTPPTKJWAVLZLF-JZJXAQOMSA-N 396.491 1.838 0 50 GDAA Cc1nn(C)cc1S(=O)(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1875243051 NIEZWRNUKCGMIT-UHFFFAOYSA-N 385.493 1.919 0 50 GDAA CCN1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C[C@H]1c1ncc[nH]1 328625774 LAHWTOGLBSHDEF-AWEZNQCLSA-N 376.442 1.322 0 50 GDAA C[C@@]1(O)CCOC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@H]1O 1704296983 BDIWROIJWYFHTQ-LSDHHAIUSA-N 375.874 1.396 0 50 GDAA O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCOCC1 3635551 FJWXTXIYCBFCCD-MRXNPFEDSA-N 392.502 1.723 0 50 GDAA Cn1c(O)nc(N2CC[C@@H](NCc3cc4cc(Cl)cnc4o3)C2)cc1=O 2325785415 XKYMIQPIDCWBAV-GFCCVEGCSA-N 375.816 1.649 0 50 GDAA COCCN1C(=O)c2ccc(C(=O)OC[C@H](C)C(C)(F)F)cc2S1(=O)=O 2325788867 NKERPXRBCUKLNL-JTQLQIEISA-N 391.392 1.926 0 50 GDAA CC[C@@H](Oc1ccc(CO)cc1)c1cn(CC(=O)N[C@@H]2CCSC2)nn1 2325793424 UCCAGCSSWQLPNA-RHSMWYFYSA-N 376.482 1.922 0 50 GDAA O=C(NCc1cccc(-c2cccnc2)c1)C12C3C4C1C1C2C3C41c1nn[nH]n1 2325808021 UPUMOFXZRDZYQY-UHFFFAOYSA-N 382.427 1.568 0 50 GDAA CC(C)(C)OC(=O)NCCNC(=O)CSc1ncc2c(n1)CCCC2=O 2325823432 SLYJDYDWXLWOCG-UHFFFAOYSA-N 380.470 1.729 0 50 GDAA CN1CCNC(=O)c2nn(-c3ccccc3)cc2OCC=CCCC[C@@H](N)C1=O 2325888460 UTGSRODFFZNDMB-QGZVFWFLSA-N 397.479 1.507 0 50 GDAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)Cc2ccc(C)cc2)cc1 861401489 YEJSDMFRYVIXAG-UHFFFAOYSA-N 390.461 1.706 0 50 GDAA O=C(O)CCc1nn2c3ccccc3n(CC(=O)c3ccccc3)c2nc1=O 1117084 DQCRKVAFTIHTFC-UHFFFAOYSA-N 376.372 1.944 0 50 GDAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cn2c(n1)CCN(C1CCSCC1)CC2 2356168922 HUFBOURZCIIUHR-ZMSDIMECSA-N 376.526 1.687 0 50 GDAA COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 4251081 FJXCZZOWGAKWOO-UHFFFAOYSA-N 395.463 1.851 0 50 GDAA CCN1C(=O)C[C@@H](NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 4727874 MFANHROOOARKQJ-OAHLLOKOSA-N 399.900 1.230 0 50 GDAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(CSc2ncn[nH]2)o1 55099089 ZQRNSDDXWSFPLT-ZDUSSCGKSA-N 379.486 1.873 0 50 GDAA Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCN(c4cccnn4)C3)n2)cc1 135300251 OQOFMDCXNRUSIM-MRXNPFEDSA-N 378.440 1.224 0 50 GDAA O=C(NCCc1cscn1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 215116417 ZTEODEFQGGQVFO-HNNXBMFYSA-N 395.506 1.573 0 50 GDAA O[C@@H]1CN(Cc2nccs2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 23359799 VZGFPAGKMXBULC-WOJBJXKFSA-N 386.565 1.939 0 50 GDAA COc1ccccc1N1CCN([C@H]2CN(C(=O)CC3CCCC3)C[C@@H]2O)CC1 71735572 NEASNIJMLGEMFM-PMACEKPBSA-N 387.524 1.969 0 50 GDAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cc2ccc(C)cc2nc1N1CCOCC1 67712626 AQWPYNRLALTEJD-HKUYNNGSSA-N 383.496 1.027 0 50 GDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)c(C)n1 2807848 RYPGJWMFEMHHIO-AWEZNQCLSA-N 380.470 1.522 0 50 GDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)O 3957109 GBXSMTUPTTWBMN-PVAVHDDUSA-N 376.453 1.605 0 50 GDAA biogenic CN(CCc1cn[nH]c1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71755374 ADCVVDCVGMSHDF-SFHVURJKSA-N 387.528 1.524 0 50 GDAA Cc1cc(C(=O)NC2[C@H]3CC(N)C[C@H]2CS(=O)(=O)C3)nn1-c1ccccc1 374029574 YGOSKQKSCOJDRD-KZGGZSBBSA-N 388.493 1.061 0 50 GDAA C[C@@H]1CC2(CCNCC2)CN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 333638589 WXVDAWZKGNLJKZ-SJLPKXTDSA-N 397.585 1.409 0 50 GDAA Cc1nn(CC(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)cc1Cl 77520441 FURDIPQSSNNDLU-UHFFFAOYSA-N 383.880 1.220 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cc(F)ccc4F)CC3)cc2[nH]1 175712917 VKIDPLXMPFUKPB-UHFFFAOYSA-N 394.403 1.645 0 50 GDAA COc1ccc2nc(CCNC(=O)N3Cc4nc(C)n(C)c(=O)c4C3)[nH]c2c1 426604513 OPPRSFQICLTHQU-UHFFFAOYSA-N 382.424 1.242 0 50 GDAA COCCN1CCC(CN(Cc2ccncc2)C(=O)c2ccc(=O)n(C)n2)CC1 95521060 GCDDWCGQYKDUDC-UHFFFAOYSA-N 399.495 1.176 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@@H](c2ccn(CCO)n2)C1 426402050 UAXCUFMDIBHEPE-QGZVFWFLSA-N 394.475 1.905 0 50 GDAA Cc1ccc(C(=O)N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1 96133737 NULINFCRTNBFQF-UHFFFAOYSA-N 384.484 1.371 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3nnc(C)o3)C2)cc1 95529661 AYDBKJMDKTVBHI-CQSZACIVSA-N 380.470 1.577 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95511959 MDXFZUJUDGLSOC-KRWDZBQOSA-N 380.456 1.418 0 50 GDAA Cc1cc(C)c2c(N3CCN(S(=O)(=O)N4CCCC4)CC3)ncnc2n1 95392153 QNZDEQLIVUARDC-UHFFFAOYSA-N 376.486 1.104 0 50 GDAA O=C(c1cc2n(n1)CCC2)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 296960565 HRZBARZOKTXOLP-SFHVURJKSA-N 378.436 1.683 0 50 GDAA CCn1ccc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)cc1=O 95373246 MIVIMUMXIHPJNE-UHFFFAOYSA-N 375.469 1.359 0 50 GDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)OCCO2 268521549 UXHUKGXKSJRESX-LBPRGKRZSA-N 380.426 1.009 0 50 GDAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CCCCn3nnnc32)c1C 97468701 YHAQZFXXQYNNBL-HNNXBMFYSA-N 375.477 1.449 0 50 GDAA COCCN1CCN(C(=O)c2ccc(-c3nc(N(C)C)ns3)cc2)CC1 534577209 MXHFVONVCPTJOV-UHFFFAOYSA-N 375.498 1.675 0 50 GDAA Cc1ccc(Cl)c(C)c1NC(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 299773882 FOUBVNUDBJDYAX-LBPRGKRZSA-N 375.878 1.739 0 50 GDAA O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ncc[nH]1)CCO2 828391865 RBMAALRQUCGBPD-UHFFFAOYSA-N 376.482 1.465 0 50 GDAA C=CC(=O)NCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1875301863 UBLFXSVUJIHEIL-LBPRGKRZSA-N 385.420 1.130 0 50 GDAA CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CO)[C@@H]2CCCOC2)cc1C 1875342059 VVLYYTBJCFPKEW-CJNGLKHVSA-N 385.486 1.666 0 50 GDAA O=C(NCCCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccccn2)C1 952872247 LZBRDPQFKYOIQB-HNNXBMFYSA-N 378.436 1.222 0 50 GDAA CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 170621191 PADAUAMDGBUZEL-CYBMUJFWSA-N 388.442 1.187 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 170621511 ZBAFGZPFSITABA-HNNXBMFYSA-N 394.516 1.056 0 50 GDAA Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CCCc4cccnc43)CC2)cn1 192481909 NHZVWKZKYXSDAY-SFHVURJKSA-N 381.480 1.904 0 50 GDAA CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C 748595866 MECVTBZXTIRDQS-SFHVURJKSA-N 382.482 1.997 0 50 GDAA O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C(F)(F)c1ccc(F)cc1 775998370 FPOHPAKICFVFOY-HIFRSBDPSA-N 377.384 1.770 0 50 GDAA Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n1 12074971 LWKJKTZPJRMYSN-HXUWFJFHSA-N 397.523 1.439 0 50 GDAA COCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2OC)C1 12372962 CBIBWOSQEKHZKX-SFHVURJKSA-N 377.529 1.944 0 50 GDAA C[C@@H](Cn1cncn1)NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1 12438614 BEWPYCOLDHPIMP-NSHDSACASA-N 379.346 1.755 0 50 GDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1O 19851892 OUDWOVPXZAYRSV-UHFFFAOYSA-N 377.470 1.567 0 50 GDAA CC1CCN(C(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)CC1 169752494 SBDFPKYNJVVIIZ-UHFFFAOYSA-N 380.448 1.914 0 50 GDAA Cc1nc(C)c(CNC(=O)[C@@]23CCCN(CC(=O)O)[C@H]2CN(C)CC3)s1 1857670429 NFFPTMIMJDVHAP-MAUKXSAKSA-N 380.514 1.247 0 50 GDAA COc1cc(Oc2cc(C(=O)NC[C@@H]3CNC(=O)C3)ccc2OC)ccc1CN 1857687064 JTJJNADVMWXWFR-ZDUSSCGKSA-N 399.447 1.821 0 50 GDAA CCCn1cnnc1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1onc2ncccc12 1857687707 AQOBWRZLKKUYIK-KBPBESRZSA-N 395.423 1.240 0 50 GDAA Cc1cc(F)ccc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 1857699561 TVEWTTFYXPYXIW-MJQMVNBJSA-N 394.512 1.895 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCc3noc(-c4ccccc4)n3)CC2=O)s1 1857712846 IYFWYEKCPYCLLD-CYBMUJFWSA-N 398.448 1.608 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CCN[C@H](C)C2)cc1OC 115853118 YTICJNZRINMMRD-SECBINFHSA-N 379.276 1.449 0 50 GDAA COCCN1C(=O)C[C@@H](CN=c2nc(C(C)C)[nH]s2)[C@@H]1c1cnn(C)c1 328614377 VVSWGAODAHKGFO-SWLSCSKDSA-N 378.502 1.465 0 50 GDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)N=C(O)CO3)C1 328614229 ABSFOSRSKICTBY-GXFFZTMASA-N 394.409 1.509 0 50 GDAA COC(=O)c1nc(N2CCN([C@H]3CCNC(=O)CC3)CC2)c2sccc2n1 2325802582 OVIHXZYUFHGBJV-GFCCVEGCSA-N 389.481 1.269 0 50 GDAA CN(C)Cc1cc(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4F)n3C2)no1 2325802907 DUADHGJAIXTBJL-GFCCVEGCSA-N 384.415 1.879 0 50 GDAA Cn1cc(NC(=O)C[C@H](C(N)=O)c2ccc(Cl)cc2Cl)c(O)nc1=O 2325851730 HMTHHGMUXNEPDB-VIFPVBQESA-N 385.207 1.390 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 2356143939 CXMCUEJBCKFEQF-NRFANRHFSA-N 390.447 1.106 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)cc1 2356151949 IMEDJWDEKLAVKS-VQTJNVASSA-N 377.448 1.890 0 50 GDAA CCCCn1nc(CC(C)C)c2c(N3CCN(C(C)=O)C[C@@H](O)C3)ncnc21 2356151971 JLEYVSLRCBABCX-MRXNPFEDSA-N 388.516 1.854 0 50 GDAA Cn1c(=O)c2c(nc(SCCO)n2Cc2cccc3ccccc23)n(C)c1=O 2368995 ZNGZNVUCMKXHMA-UHFFFAOYSA-N 396.472 1.720 0 50 GDAA CCCN=c1ncc(CN2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)c[nH]1 2356162845 RLLMWTKXZIVXNP-WIYYLYMNSA-N 384.480 1.601 0 50 GDAA COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4488408 AUXYUPSCUUJFFF-GJZGRUSLSA-N 384.498 1.555 0 50 GDAA CCC1(CNS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)COC1 414346954 VEYQATXKPBLWEQ-UHFFFAOYSA-N 378.244 1.852 0 50 GDAA CN1CCN(c2cccc(N3CCC(N4CC(N5CCOCC5)C4)CC3)c2)C1=O 55384359 ZMVXVHOCDONLJL-UHFFFAOYSA-N 399.539 1.544 0 50 GDAA CCOc1ccccc1CN1CCN(C2CCN(C(C)=O)CC2)C[C@H]1CCO 104476894 GXTWBKVKCKKWCZ-OAQYLSRUSA-N 389.540 1.965 0 50 GDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 115388286 DVRPKUOBRLWQDI-QGZVFWFLSA-N 381.480 1.807 0 50 GDAA O=C(Cn1nc(N2CCSCC2)ccc1=O)Nc1cc(F)c(F)c(F)c1 67630641 PLGLFRNCVVSRPX-UHFFFAOYSA-N 384.383 1.853 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3ccc4ccccc4c3)nn2)CN1 67908142 CCOWSRCSEADMRL-MOPGFXCFSA-N 392.463 1.353 0 50 GDAA O=C(CCn1cncn1)NCc1cccnc1N1CCN(c2ccccn2)CC1 67867003 QEDJHQQZOQCVDT-UHFFFAOYSA-N 392.467 1.101 0 50 GDAA COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@@H](O)CN(C)C(C)C 20210955 FCUNFVCDLKESCQ-IBGZPJMESA-N 390.528 1.841 0 50 GDAA Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 67603640 APYREZVNLNKCPZ-OAHLLOKOSA-N 383.514 1.397 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)cc1C 12053004 CNMOUSDGOADSGL-QGZVFWFLSA-N 386.452 1.341 0 50 GDAA Cc1ccc(C2(CN3CCN(c4nccnc4C#N)CC3)CCNCC2)nc1 65404408 QVFQYHGSVFILRO-UHFFFAOYSA-N 377.496 1.495 0 50 GDAA Cc1nc(CCNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)cc(=O)[nH]1 67757272 IVLXOSPAYVXVQS-UHFFFAOYSA-N 376.420 1.777 0 50 GDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 72151253 MVGZAEKFPBYGNF-OAHLLOKOSA-N 377.876 1.474 0 50 GDAA Cn1c(=O)oc2ccc(C(=O)N3CCOC[C@@H]3CC(=O)Nc3cccnc3)cc21 72408964 HMKYICMXRBHIAZ-HNNXBMFYSA-N 396.403 1.396 0 50 GDAA CCN(CCn1cccn1)C(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 219242578 OECUEMQESODERL-UHFFFAOYSA-N 376.482 1.280 0 50 GDAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1 77323548 CBJYULCTGJJCDM-ZDUSSCGKSA-N 382.511 1.718 0 50 GDAA Cc1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)nn1-c1c(F)cccc1F 252539418 NYCRPIBFJYBEAI-AWEZNQCLSA-N 394.422 1.224 0 50 GDAA O=C(C1CCC1)N1CCN(Cc2nc3ccccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72420417 JURQBGDJFLXLQQ-DLBZAZTESA-N 388.493 1.173 0 50 GDAA O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCC([C@H]2CCOC2)CC1 364723385 NRCLDVYNOXUIGL-HNNXBMFYSA-N 387.436 1.857 0 50 GDAA Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ncccn2)C[C@H]1C(=O)O 71715098 HMSPTOPIRUXHCD-KRWDZBQOSA-N 379.420 1.611 0 50 GDAA CC[C@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71751251 NAAJRCUCQVWSNI-SFHVURJKSA-N 382.464 1.661 0 50 GDAA COCC[C@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)O 263200501 MHOSKNGZZKIYRJ-LBPRGKRZSA-N 379.363 1.859 0 50 GDAA COCCOCCOCCS(=O)(=O)N1CCCN2c3ccccc3C[C@@H]2C1 377821551 POBFKPMDHGVKBD-GOSISDBHSA-N 398.525 1.133 0 50 GDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 219394844 IRMXRJPJKFNSOC-QGZVFWFLSA-N 386.452 1.182 0 50 GDAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(C)=O)cc1 170607890 HOKIWAYFHRMBAL-HNNXBMFYSA-N 393.440 1.718 0 50 GDAA COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 170616373 YOGNNHLXJRVSLM-MRVPVSSYSA-N 395.250 1.496 0 50 GDAA COc1ccc(C(=O)N2CCN(C(=O)NCCC[C@H]3CCOC3)CC2)cc1 426420538 HGTRKRLAWZHFQT-INIZCTEOSA-N 375.469 1.979 0 50 GDAA Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 20028728 FFIDONKMWRUZTG-GOSISDBHSA-N 379.526 1.311 0 50 GDAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 95354539 SSLQEWUYIBJNQT-INIZCTEOSA-N 376.434 1.321 0 50 GDAA CCN(C)C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C[C@@H]1CO 91706662 NBXKZMLMQWOEBE-IAGOWNOFSA-N 378.488 1.893 0 50 GDAA COc1ccc(-n2ccnc2CN2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cc1 95374942 ADVNDLSWCYSXJE-NVXWUHKLSA-N 390.509 1.737 0 50 GDAA CCSc1ncc(CN2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)O)C2)cn1 96132213 OHDGCDCWABXDTF-RDTXWAMCSA-N 376.482 1.344 0 50 GDAA Cc1nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n[nH]1 95509143 KMWVEAUKDMWFLW-UHFFFAOYSA-N 383.452 1.823 0 50 GDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)c3[nH]nc4c3CCC4)C[C@H]21 95507353 PTLXLTAKQLLHII-JLTOFOAXSA-N 383.404 1.610 0 50 GDAA COCCN1C[C@H](Cc2ccc3ncnc(N4CCN(C)CC4)c3c2)CC1=O 244691823 JJWCDKPBBRSXGO-QGZVFWFLSA-N 383.496 1.419 0 50 GDAA COc1cc2nc(C)n(CC(=O)NCC(=O)c3ccccc3)c(=O)c2cc1OC 253414019 WFRYTTFBGUTNAS-UHFFFAOYSA-N 395.415 1.721 0 50 GDAA biogenic O=C(NCc1ccccc1Cl)C1CCN(C(=O)N[C@@H]2CCNC2=O)CC1 534586227 FZDJKUJFWZEIKB-OAHLLOKOSA-N 378.860 1.266 0 50 GDAA Cc1cc2c(cc1CN1CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C1)OCO2 1073274506 TULUFUFMBDLKNN-JXFKEZNVSA-N 375.469 1.664 0 50 GDAA O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N1CCN(Cc2nc[nH]n2)CC1 952983477 FMRXOFDOPBBZFO-LJQANCHMSA-N 386.475 1.815 0 50 GDAA O=C(CN1CCOC1=O)NC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 952977044 IZBGJPKMXCJGEH-HNNXBMFYSA-N 399.451 1.517 0 50 GDAA CCn1cc(C(=O)N(C)Cc2nc(CCOC)no2)c(=O)c2ccc(C)nc21 952976152 LITFGCMAVHAMQF-UHFFFAOYSA-N 385.424 1.569 0 50 GDAA O=C(Nc1c(F)cccc1F)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1453907740 YVQSWQLRRSNENU-CQSZACIVSA-N 380.372 1.689 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)N[C@H]3CCOC[C@@H]3OC)CC2)c1 1565511847 KXLPFGVVTJPFLH-ROUUACIJSA-N 376.453 1.468 0 50 GDAA CC[C@@H](O)CN1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 187712684 ZAKAKTASBSPPCF-MRXNPFEDSA-N 376.482 1.221 0 50 GDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1c(Cl)nc3ccccn13)C2 189214094 OIRXWNZGBPBHDL-UHFFFAOYSA-N 393.856 1.311 0 50 GDAA COCCN1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1704355540 QBTDHOKMUIQBIG-DENIHFKCSA-N 397.519 1.955 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc2cccc(F)c2n1 1704342122 HPHRAAOMFSZJML-WFASDCNBSA-N 381.429 1.010 0 50 GDAA O=C(NCCCN1CCCC1=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 14948680 OUNXVUOHQMYAJQ-KRWDZBQOSA-N 389.471 1.736 0 50 GDAA CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 14989731 XCOUGUKWRSKPOR-VOTSOKGWSA-N 385.443 1.944 0 50 GDAA CCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4ncccn4)CC3)C2=O)cc1 19890179 XONCOGODBGJANF-SFHVURJKSA-N 395.463 1.766 0 50 GDAA O=C1N[C@H](CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 206233700 MHLNCHHUKAWOHC-SOIKWTOOSA-N 385.464 1.671 0 50 GDAA CS(=O)(=O)N1CCC2(CC1)OCCc1cc(C(=O)N3CCCC3)sc12 1857688445 JYZFNUJDZDNKRU-UHFFFAOYSA-N 384.523 1.808 0 50 GDAA CN(Cc1ncc[nH]1)C(=O)[C@]12CCCCN1C[C@@H](NC(=O)c1ccccc1)C2 1857690345 HWBCXBHPEVIRIH-LAUBAEHRSA-N 381.480 1.795 0 50 GDAA O=C(Cc1noc2ccccc12)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857716816 FTBYGBTUWUSFKN-JCXROGDPSA-N 378.428 1.966 0 50 GDAA CN1C(=O)CCO[C@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]21 1857741005 XNOOPIKZJGLHJI-OALUTQOASA-N 377.448 1.828 0 50 GDAA COc1c(C(=O)O)cc(-c2ccc3nc[nH]c(=NCCO)c3c2)c(OC)c1OC 1875250324 PACWXBOLNRJMGC-UHFFFAOYSA-N 399.403 1.847 0 50 GDAA Cn1ncc2c(=O)n(CC(=O)N3CCC[C@H]3Cc3cc(F)ccc3F)cnc21 416044991 JITLBNFWRJFMKX-AWEZNQCLSA-N 387.390 1.642 0 50 GDAA COc1ccc(NC(=O)N2CCC(c3nc(C)no3)CC2)cc1-n1cnnn1 266440999 XQSOEWPUKPTRCU-UHFFFAOYSA-N 384.400 1.774 0 50 GDAA COC(=O)C1(c2cccc(NC(=O)c3cn(C[C@@H]4CCCN4)nn3)c2)CCC1 1875292802 TXAYTFPYCKKAFV-INIZCTEOSA-N 383.452 1.877 0 50 GDAA FC(F)(F)c1nnc(CN2CCN(Cc3nnc(C(F)(F)F)o3)CC2)o1 1875291517 BNSUGZCKLLIREF-UHFFFAOYSA-N 386.256 1.808 0 50 GDAA C[C@@H](NC(=O)CNC(=O)CN(C)C[C@@H](O)c1cccnc1)c1ccc(F)cc1 1875292083 VZKHYJNXHHHENP-RDTXWAMCSA-N 388.443 1.180 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3ccnc(C(C)C)[nH]3)C2)c1C 1875301926 WPKVRAXMGCHQKS-OAHLLOKOSA-N 383.500 1.821 0 50 GDAA O=C(c1n[nH]cc1Cl)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100482905 FXSNEEMZNZDAPN-SNUQEOBHSA-N 380.876 1.964 0 50 GDAA Cn1nnnc1[C@@H]1CN(C(=O)Cc2ccccc2OCc2ccccc2)CCO1 2100557153 ODZURYXPEQGRST-IBGZPJMESA-N 393.447 1.932 0 50 GDAA C[C@]1(C(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCCCO1 2325886868 MGSZSNVKOAGZCO-IIBYNOLFSA-N 399.447 1.023 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)C1 2325889519 UYBYEOOVRBPXHM-GFCCVEGCSA-N 381.454 1.006 0 50 GDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CC2(CN(C(=O)C3(C)CC3)C2)n2ccnc21 2332237946 RTNCPHHJPNAMIP-OAHLLOKOSA-N 382.468 1.364 0 50 GDAA COc1ccc(-c2nc(N[C@@H]3CCC(=O)NC3=O)cc(N3CCCC3)n2)cc1 1857797842 ZQLZXDLJAHPUGF-OAHLLOKOSA-N 381.436 1.970 0 50 GDAA Cc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 6729689 WDJFZGLOJOUMDF-UHFFFAOYSA-N 388.489 1.988 0 50 GDAA CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@H](C(=O)OC)c1ccccc1 8584494 GSDBDVQHYYYBRL-RISCZKNCSA-N 376.438 1.253 0 50 GDAA Cc1nc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1 225402252 LEXHFYCEKULJPG-UHFFFAOYSA-N 398.872 1.749 0 50 GDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)Cn1nnnc1CN1CCCCCC1 20208737 WCHOJRQRYIATLD-KRWDZBQOSA-N 384.484 1.511 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 67612768 KUCSEDLDAFCEHS-HOCLYGCPSA-N 395.525 1.923 0 50 GDAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H](O)CO)co3)ccc2s1 67909506 LDSHHKUXGQIQME-LLVKDONJSA-N 377.422 1.597 0 50 GDAA Cc1[nH]c(=O)n(Cc2ccccc2)c(=O)c1S(=O)(=O)NCc1ccccc1 1432298 XGVSEQASBJKUMZ-UHFFFAOYSA-N 385.445 1.372 0 50 GDAA COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)c1 328613301 RLSZQSNJFZECNA-CYBMUJFWSA-N 398.872 1.556 0 50 GDAA O=C(c1cnc2sccn2c1=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 72173929 UFFJMSBPLBLRMU-MRXNPFEDSA-N 381.457 1.847 0 50 GDAA Cc1nnc2n1CCN(C(=O)NCc1ccc(NC(=O)c3cccnc3)cc1)C2 363402016 CGADPBXXKZDJIJ-UHFFFAOYSA-N 391.435 1.959 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccnc(N2CCCCCCCC2)n1 77297798 ZPEUFGBHLMZXMM-JKSUJKDBSA-N 379.530 1.212 0 50 GDAA O=C1CC[C@H](Nc2cc(N[C@H]3CCC(=O)NC34CCC4)ncn2)C2(CCC2)N1 374573545 ZZKUBGIQLICZFR-KBPBESRZSA-N 384.484 1.703 0 50 GDAA O=C(NCc1ccno1)c1cccc(S(=O)(=O)NCCc2nccs2)c1 215457310 AKBMQLCIAOTCBX-UHFFFAOYSA-N 392.462 1.582 0 50 GDAA Cc1nc([C@@H]2CCCN(C(=O)Cc3ccncc3)C2)cc(N2CCOCC2)n1 72429343 MBOBGZVBOJCTDW-GOSISDBHSA-N 381.480 1.965 0 50 GDAA Cn1ncc2c(N3CCN(C(=O)c4nc[nH]n4)CC3)nc(C3CCCC3)nc21 72156476 UYIPPMGAXXBLFZ-UHFFFAOYSA-N 381.444 1.101 0 50 GDAA Cn1nnc(-c2ccc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2)n1 218351441 QGCUXOZYYOVBJR-UHFFFAOYSA-N 387.440 1.797 0 50 GDAA COCCN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1 36383447 ASVDYYRNWYYFAZ-UHFFFAOYSA-N 380.832 1.706 0 50 GDAA O=C(c1ccoc1)N1CCC(NC[C@H](N2CCOCC2)C(F)(F)F)CC1 285593070 WCNOCOCHIYXZNF-HNNXBMFYSA-N 375.391 1.737 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)NCCCN2CCC[C@@H](O)C2)CC1 426421851 LOTJKHADJJILFG-GOSISDBHSA-N 375.517 1.064 0 50 GDAA COc1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cc(Cl)c1OC 95378923 OKOSQDZJXXHWEF-GFCCVEGCSA-N 382.844 1.913 0 50 GDAA CC(C)CN1CC2(CCN(C(=O)c3ccccc3-c3nnn[nH]3)CC2)CC1=O 95363584 GZIBZUNXMLPISD-UHFFFAOYSA-N 382.468 1.977 0 50 GDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cnc(O)cc2O)C1 92037351 NPRVEKSVIZOUNH-CQSZACIVSA-N 399.451 1.563 0 50 GDAA COc1ccccc1-n1ncnc1C[C@H]1C(=O)NCCN1Cc1ccccc1 91625465 DCDULRBDEUPDFN-SFHVURJKSA-N 377.448 1.819 0 50 GDAA O=C(Nc1cccc(Cn2cncn2)c1)N1CCCO[C@@H](Cn2cccn2)C1 95516805 NVKMVURBWZPNIR-GOSISDBHSA-N 381.440 1.846 0 50 GDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)CC(C)C)c1 95518507 UVQIUFMTSKWVDT-IBGZPJMESA-N 380.529 1.979 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCCc2ccco2)c1)N1CCOCC1 95361706 NTTWGNZVSIMAMQ-UHFFFAOYSA-N 378.450 1.663 0 50 GDAA Cc1nonc1OCCNS(=O)(=O)c1cccc(C(=O)NCC(C)C)c1 95388716 YYRWPOXHHNMYBX-UHFFFAOYSA-N 382.442 1.121 0 50 GDAA NS(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 291524710 KAWWYTJPGJWPLR-CYBMUJFWSA-N 383.861 1.341 0 50 GDAA Cn1cc(CCCNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)cn1 95390798 LTSQXAZDBGOJMN-INIZCTEOSA-N 382.468 1.240 0 50 GDAA CN(CCO)C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C[C@@H]1CO 91713109 NPFNUFJCCAZBJV-HZPDHXFCSA-N 380.916 1.753 0 50 GDAA COc1ccc([C@@H](NC(=O)c2cccc(-n3cnnc3)c2)[C@H]2C[C@H](O)C2)cn1 244898939 ZEGLGYJXZNPASQ-SZVBFZGTSA-N 379.420 1.913 0 50 GDAA O=C(c1ccc(O)nc1)N1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 253534310 PMQTWXDEBCVXPN-QAQDUYKDSA-N 387.480 1.936 0 50 GDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3nc(O)c4ccccc4n3)cn12 1940197287 FORIBSNUVVLJBG-QGZVFWFLSA-N 392.419 1.998 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3nc(O)[nH]c3c2)o1 827801687 DOIFUIUUEGJXSO-KRWDZBQOSA-N 397.435 1.177 0 50 GDAA CN(C(=O)N[C@@H](c1ccccc1)c1nccn1C)C1CCS(=O)(=O)CC1 670472079 GMFPLIIVZKXCRR-INIZCTEOSA-N 376.482 1.728 0 50 GDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)CCN1C(=O)COc2ccccc21 408513370 ZYLDVKIADWFDBO-AWEZNQCLSA-N 376.409 1.284 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N1CCCN(c2ccccn2)CC1 186380420 HRAMQQMXVVNMQG-UHFFFAOYSA-N 377.448 1.921 0 50 GDAA COc1ccc(S(=O)(=O)NCC[C@@H](C)N2CCN(C)CC2)cc1Cl 1506395096 CBSXNXAXXRRYPE-CYBMUJFWSA-N 375.922 1.653 0 50 GDAA O=C(CCN1CCCCCC1=O)NCC1CCN(C(=O)[C@H]2CCCO2)CC1 1506398767 FPLUUKCWZQQXNP-QGZVFWFLSA-N 379.501 1.313 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCN(C)C3(CCN(C)CC3)C2)cc1OC 1506417393 JIILZWORODJKJP-GOSISDBHSA-N 377.485 1.541 0 50 GDAA Nc1nc(O)cc(N2CCC[C@H](CNC(=O)CCn3cnc4ccccc43)C2)n1 1506425010 KFVSYCCNOPPRBW-CQSZACIVSA-N 395.467 1.537 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4n[nH]c5c4CCC5)C[C@]3(CO)C2)c(C)o1 1772702977 FJBLPEFLMFBDFH-QKKBWIMNSA-N 398.463 1.315 0 50 GDAA CC(C)n1cnnc1CN1C[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@]2(CO)C1 1772812197 ILCYRMJZICLDHZ-IERDGZPVSA-N 395.511 1.662 0 50 GDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(c3cc(C)ccn3)CC2)[C@H]1O 1772707790 YYEPFHNGGHHDHW-ZWKOTPCHSA-N 379.526 1.748 0 50 GDAA CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)s1 12379784 BMSNJXWHUANPGR-UHFFFAOYSA-N 394.478 1.248 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 13009285 JUVOFSNPAMZWPT-UHFFFAOYSA-N 398.492 1.790 0 50 GDAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCCN(c2ncccn2)CC1 14949246 YSFDZISISMSGGO-UHFFFAOYSA-N 381.415 1.608 0 50 GDAA COc1ccc(OC)c(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c1 15856018 DCJVCNWDLKLGFD-UHFFFAOYSA-N 391.512 1.364 0 50 GDAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCN(CCOc2ccccc2)CC1 19228487 VHHCUBZYPKNPAM-SFHVURJKSA-N 385.468 1.294 0 50 GDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccco1 206253341 DFCSHZCSYXOVQL-OAHLLOKOSA-N 399.403 1.568 0 50 GDAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cc2n(n1)CCN(C)C2=O 1857673809 KVKRBKAVKURHRO-UHFFFAOYSA-N 393.451 1.793 0 50 GDAA CCNC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCOC)cc12 1857682723 ZLXHRNJAUOGELH-UHFFFAOYSA-N 381.498 1.718 0 50 GDAA Cc1noc(C)c1CN1C[C@H]2[C@H](NC(=O)CC3=CCCC3)CS(=O)(=O)[C@H]2C1 1857688254 ZHYYTQRAUVYHIS-KSZLIROESA-N 393.509 1.505 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCCn3ccc4ccccc43)CC2=O)s1 1857706486 VNMAMUFTZGHGMV-CQSZACIVSA-N 399.476 1.809 0 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376.438 1.170 0 50 GDAA CN1CCN(C(=O)C(=O)NC[C@]23CCC[C@@H]2C3(F)F)[C@H](c2ccccc2)C1=O 1875307582 FFTBIGMEXHBIPM-QMTMVMCOSA-N 391.418 1.580 0 50 GDAA CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)=O)c1ccc(Cl)cc12 1075436 QJDNEWGABXPKGO-OAHLLOKOSA-N 380.813 1.388 0 50 GDAA CN(C(=O)CCNC(=O)c1ncccc1O)C1CCN(c2ccccn2)CC1 2325738698 WRVYRHRFHBOJDN-UHFFFAOYSA-N 383.452 1.430 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1 2325888365 MQQIOKDUCXRGHY-ZDUSSCGKSA-N 384.436 1.885 0 50 GDAA Cc1cc(C)c(C(=O)N[C@@H]2CC3(CN(C(=O)CN(C)C(C)C)C3)n3ccnc32)o1 2332237823 NJGYCEXFELPFFO-MRXNPFEDSA-N 399.495 1.845 0 50 GDAA COc1cc2ncnc(N3CCN(C(=O)OCC(C)(C)O)CC3)c2cc1OC 537831 YRTMGQYDLITGNA-UHFFFAOYSA-N 390.440 1.677 0 50 GDAA in-man Cc1ccc(N2CCC[C@@]3(CCCN3CC(=O)N=c3ccn(C)[nH]3)C2=O)cc1 2356147992 BKVYGKIEPQNJDM-NRFANRHFSA-N 381.480 1.751 0 50 GDAA CCc1nc(CN2CCN(C)[C@@]3(CCC(=O)N(CCOC)CC3)C2)cs1 107405443 PNQOOWWDCRBGOU-LJQANCHMSA-N 380.558 1.851 0 50 GDAA CC(=O)Nc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O 10059003 WAFKDHNYJSWOJP-UHFFFAOYSA-N 391.434 1.774 0 50 GDAA COc1ccc(COCCNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cc1 225508385 NNWDSBDYHYJLDD-RTWAWAEBSA-N 398.459 1.927 0 50 GDAA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 246685186 WDWMQNZYLVTYAB-SBHAEUEKSA-N 386.492 1.874 0 50 GDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 64800504 ODVHJRWOQXHUIF-UHFFFAOYSA-N 379.461 1.867 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(OC)c(OC)c2)CC1 65090761 STTQPJSHDXBVSX-UHFFFAOYSA-N 398.525 1.814 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N2C[C@H](C)O[C@H](C)C2)n1C 328632512 LIYCXDPURBWZON-UXLLHSPISA-N 376.501 1.548 0 50 GDAA Cc1ccc(C(=O)NCCC(=O)NCCc2nc(-c3cccnc3)no2)cc1 219710276 DDANIMUDUCXNFS-UHFFFAOYSA-N 379.420 1.919 0 50 GDAA O=C(O)c1[nH]ncc1CN1C[C@@H]2CN(CC3CCCCC3)C[C@]2(C(=O)O)C1 215097323 PCDFWZCQIORDHH-KXBFYZLASA-N 376.457 1.507 0 50 GDAA C[C@H]1CCN(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CC[S@]1=O 253426046 XNEGTBBHFXNUTH-DLEQGYHRSA-N 392.569 1.750 0 50 GDAA CC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2cc(C)cc(C(=O)O)c2F)C1 487323918 JUBIVPUBHZBBRA-CYBMUJFWSA-N 386.445 1.759 0 50 GDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCN(c2nccc(OC)n2)CC1 375587696 LLVRBIBMYRFPGT-INIZCTEOSA-N 389.500 1.609 0 50 GDAA CCOc1ncccc1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCOCC2)c1 71771272 OTKYUPPIHGSBFB-UHFFFAOYSA-N 392.433 1.866 0 50 GDAA Cc1ncoc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71750438 LZDNZHGHXDWSEN-INIZCTEOSA-N 390.484 1.158 0 50 GDAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)n[nH]1 77426526 XISIEZOFQQBMPG-UGNRZPKXSA-N 393.447 1.054 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)N[C@@H](CCn1cncn1)c1ccccc1 72420305 HVIBMSMKTKXIAB-FQEVSTJZSA-N 393.495 1.848 0 50 GDAA C[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)n1ccc2ccccc2c1=O 287963243 ITTSVCBKJXYVMA-IRWQIABSSA-N 393.447 1.432 0 50 GDAA CCCc1nc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)no1 426523744 WRHDCJPOFLFBGI-CQSZACIVSA-N 375.477 1.367 0 50 GDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCC(CCN2CCCC2)CC1 23544185 OUXAFXBYVLNKGW-LJQANCHMSA-N 392.588 1.948 0 50 GDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2nc(C)c3ccccc3c2=O)on1 95363143 ILWIDKDBIGVFRL-KDOFPFPSSA-N 382.420 1.375 0 50 GDAA OCCn1ccc([C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n1 426489733 XZMAGUILWULMBZ-HNNXBMFYSA-N 377.514 1.548 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(Cc2cnn(C)c2)C(C)C)o1 20912826 CBFNZCDXYICDGE-GOSISDBHSA-N 387.484 1.449 0 50 GDAA CN(C)c1nc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ncc1F 95388037 BIBUFWNSOCLAKZ-ZDUSSCGKSA-N 385.451 1.439 0 50 GDAA CCn1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c(C)n1 91594997 WCBCELKSJDWPKW-AEFFLSMTSA-N 391.516 1.154 0 50 GDAA Cc1nc(CN2CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC2)cs1 91595691 MWRWSPYPWHXPIK-UHFFFAOYSA-N 385.497 1.971 0 50 GDAA COCc1cccc(S(=O)(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 179260907 YANNZNUSENINPQ-AWEZNQCLSA-N 387.461 1.910 0 50 GDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91908392 BVQPQJNBPIENSM-LJQANCHMSA-N 385.508 1.796 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCC3CCOCC3)OCC(=O)N2C2CC2)cc1 1940195539 WKSLZJJQOQHHFM-UXHICEINSA-N 388.464 1.669 0 50 GDAA CC(=O)N1CCCn2nc(CNC(=O)c3cc(-c4cccn4C)n[nH]3)cc2C1 299768833 MNYLXUYBXIAAHC-UHFFFAOYSA-N 381.440 1.294 0 50 GDAA O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cncs1 299787121 PIUAXDYEDJPNRK-HNNXBMFYSA-N 378.498 1.117 0 50 GDAA O=C(NCc1ccc2nsnc2c1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 670451169 CVKNHFBONHMEAO-CQSZACIVSA-N 394.522 1.207 0 50 GDAA Cn1nccc1C(=O)NCC1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 952988051 AGARMLAUCXHWFG-QGZVFWFLSA-N 395.463 1.263 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1n[nH]c2ccccc12 1565526670 GGPHUSLFIGIJIS-KGLIPLIRSA-N 376.420 1.730 0 50 GDAA COCCN1CCC(CN(C)S(=O)(=O)c2ccc(O)c(C(=O)O)c2)CC1 1506410146 DQGWRUWCBKREJM-UHFFFAOYSA-N 386.470 1.069 0 50 GDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cn2nc(C)cc2C)cc1OC 1529112631 QNMMTRZMDYVGQF-UYAOXDASSA-N 389.452 1.478 0 50 GDAA COc1ccc([C@@H](C(=O)O)N2CCC(c3nnc(CO)n3C)CC2)cc1OC 1529111277 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O=C(O)[C@]1(CCCc2ccccc2)CN(S(=O)(=O)c2cn[nH]c2)CC[C@H]1O 1875241984 ZJHGVGHDOJVQKM-SJLPKXTDSA-N 393.465 1.259 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnccn2)C[C@H]1NC(=O)C1(C)COC1 1875249445 TVPAUVFZWMIYOC-USXIJHARSA-N 390.484 1.209 0 50 GDAA CNC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)nn1 301359761 PVCNFTAAHFYLEC-INIZCTEOSA-N 375.860 1.975 0 50 GDAA COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 225439720 JTNISJDFNVQCTL-HOTGVXAUSA-N 378.469 1.696 0 50 GDAA O=C(C[C@@H]1CCOc2ccccc21)N1CCN(c2cncc3ncnn23)CC1 333305674 UKWGICYMUDKADH-HNNXBMFYSA-N 378.436 1.729 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3occc3c1)C2 247944669 JKGHJRSGSYTVLS-CJNGLKHVSA-N 377.466 1.776 0 50 GDAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)c1 248383375 ZYDJGGDZXFVJAJ-UWJYYQICSA-N 386.448 1.527 0 50 GDAA O=c1cc(CCn2cccn2)nc(-c2ccccc2CN2CCC[C@H](O)C2)[nH]1 23379778 JDYUPLHWMBMFDY-SFHVURJKSA-N 379.464 1.833 0 50 GDAA CCN(C)C(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 266126156 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CCCc1nnc(N2C[C@@H](C(=O)NC3(C(N)=O)CCCCC3)CC2=O)s1 1857736948 XFVIAJVRDKZZMD-NSHDSACASA-N 379.486 1.148 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC[C@H]1O)c1cccc(Cl)c1 1875245786 RAAXTABOMRSOPS-APHBMKBZSA-N 376.844 1.639 0 50 GDAA CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)NC2CC2)cc1 329850518 ZRRYTKYJIAGXQW-HZPDHXFCSA-N 379.482 1.169 0 50 GDAA CSCC(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)C1CCCCC1)[C@@H]2O 1704332767 UJPPMPFZVDKHQM-RBUKOAKNSA-N 398.569 1.947 0 50 GDAA CCOc1ccc(C)cc1S(=O)(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704328361 MVVRTMGSIVOCLF-RTBURBONSA-N 382.526 1.861 0 50 GDAA Cn1cc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 2100539507 LSGPRRHTHWUPHB-UHFFFAOYSA-N 384.484 1.232 0 50 GDAA COc1cccc(N2CCN(C(=O)c3ccc4c(n3)N(C)CC4)[C@H](C)C2=O)c1 2100554874 DZEWADOJSXLDJQ-CQSZACIVSA-N 380.448 1.960 0 50 GDAA O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cnn2cccnc12 2325817605 FLBKOAPJFMRFAV-QGZVFWFLSA-N 378.436 1.621 0 50 GDAA CN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc4c(c3)COC4)C2)CCC1=O 2325864247 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CN(C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C[C@H]1CCCO 91997222 ATZWXSAUHLIVFB-ACJLOTCBSA-N 375.444 1.832 0 50 GDAA CCCn1ccnc1CN1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 95375998 MYJNRZZUYBWFGO-YLJYHZDGSA-N 375.517 1.768 0 50 GDAA COc1cccc([C@H]2CN(C(=O)CN3CCCC3=O)[C@@H]3C4CCN(CC4)[C@H]23)c1 95385010 QIROVPFDGPZNOW-STZQEDGTSA-N 383.492 1.706 0 50 GDAA CCOC(=O)[C@@H]1CCCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C1 95399196 SWZNJKPWJTWCFQ-CYBMUJFWSA-N 386.456 1.981 0 50 GDAA Cc1ncsc1CCC(=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 95512650 QEARIUXOUUGELE-CABCVRRESA-N 383.539 1.104 0 50 GDAA CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1ccnc1C)CC2 95519192 CYVOWKTXXAHJFL-CQSZACIVSA-N 384.484 1.788 0 50 GDAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 95522838 NXSGKGGABQMPEL-INIZCTEOSA-N 382.472 1.292 0 50 GDAA CNC(=O)[C@@H]1CCCN(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1 114966527 QDFLEVVBKDNIAC-QGZVFWFLSA-N 391.516 1.671 0 50 GDAA Cn1cc(-c2ncc(C(=O)N[C@@H]3CCN(C(=O)c4ccccn4)C3)s2)cn1 121138549 NRJVYTHLTCOIJG-CYBMUJFWSA-N 382.449 1.583 0 50 GDAA CN(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 123099328 XXWJHWHEGSCFFK-QGZVFWFLSA-N 383.489 1.619 0 50 GDAA N[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 158251979 USMROWJKXZZNOK-CYBMUJFWSA-N 389.315 1.953 0 50 GDAA CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@H]1CCS(=O)(=O)C1 171807598 CZDNSVQKDHWEOH-HNNXBMFYSA-N 399.476 1.773 0 50 GDAA CSCCCN1C[C@H]2CN(Cc3cc(C(C)=O)cn3C)C[C@@]2(C(=O)O)C1 216061365 NBOQVHYQQGANGC-LPHOPBHVSA-N 379.526 1.799 0 50 GDAA CC(=O)N1CC[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)c2ccc(F)cc2C1 225615333 JAAYAEQCFORBKG-SJLPKXTDSA-N 383.489 1.633 0 50 GDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)n1 225835468 OFCIHOTWXRADHN-CYBMUJFWSA-N 379.772 1.592 0 50 GDAA CSCC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230214401 IXFIHWRPDKBTRF-QWHCGFSZSA-N 380.466 1.041 0 50 GDAA CCN1CCc2nc(NC(=O)c3nnn(C4CCNCC4)c3C)sc2C1 236871743 UKDVRVSVMFMEDF-UHFFFAOYSA-N 375.502 1.598 0 50 GDAA CO[C@](C)(C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccccc1F 242389289 ZVWWUWGYRKJMPZ-SFHVURJKSA-N 382.432 1.785 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1noc(-c3ccccc3)n1)C2 248017648 QPUOLQFUWLXDCF-CVEARBPZSA-N 383.452 1.248 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 268970182 GIFKDUMUUWBZON-MFKMUULPSA-N 397.225 1.114 0 50 GDAA C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCCN(S(C)(=O)=O)CC2)C1=O 297947146 SNYWJLHQAXECKS-RHSMWYFYSA-N 383.489 1.455 0 50 GDAA Cc1nc2cc(C(=O)N3CCCC[C@@H]3CN)ccc2n1[C@H]1CCS(=O)(=O)C1 299739676 RGVUXPMNJYKQIS-CVEARBPZSA-N 390.509 1.658 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 299748951 IPRVCKJGOSLEKQ-CYBMUJFWSA-N 380.198 1.560 0 50 GDAA Cc1ccc(C)c(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)c1 328612953 QIQAUNUDJAGMBA-KRWDZBQOSA-N 390.509 1.994 0 50 GDAA O=C(CN1CCC[C@@H](Cn2ccnn2)C1)N1CCN(Cc2ccsc2)CC1 333344840 QAYGERUGNXUZHU-QGZVFWFLSA-N 388.541 1.396 0 50 GDAA C[C@H](NC(=O)N1CC=C(c2ccnn2C)CC1)c1cccc(S(N)(=O)=O)c1 376265880 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O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CCCN(C(=O)c2ccco2)CC1 1506399720 CLASVYRKTNXOEF-SFHVURJKSA-N 395.459 1.970 0 50 GDAA Cc1nc2ncc(C(=O)N3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)c(=O)n2[nH]1 1529172317 DZEVZBNAKGQAPX-DLBZAZTESA-N 379.420 1.718 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)N[C@H](C)C(=O)N(C)C)ccc1F 1704325917 ODRIXYVRJCPHQO-SNVBAGLBSA-N 378.404 1.762 0 50 GDAA CC(=O)c1cnc(N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)nc1C 1704332503 YLUSPBOOSOLPOJ-LVKMRUPZSA-N 377.492 1.967 0 50 GDAA O=C(c1ccc(N2CCCN(Cc3ccccn3)CC2)nc1)N1CCOCC1 1704348076 CGCFTBAWIZSBAN-UHFFFAOYSA-N 381.480 1.661 0 50 GDAA OC[C@@]12CN(CCCn3cccn3)C[C@H]1CN(c1ncc(Cl)cc1F)C2 1772804858 GDXZWYNUPYDUAX-KSSFIOAISA-N 379.867 1.891 0 50 GDAA Cc1nn(CC(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c(=O)c2ccccc12 1800411171 HKCOWTJOMAUPFS-INIZCTEOSA-N 385.420 1.045 0 50 GDAA O=C(Cc1cccc(N2CCCC2=O)c1)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O 1857527248 UNZYDKAXEXSKTE-NEWSRXKRSA-N 382.464 1.508 0 50 GDAA Cc1nc(N2CC[C@H](O)[C@H](NC(=O)c3cc(-c4ccccn4)[nH]n3)C2)sc1C 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391.431 1.891 0 50 GDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857710682 JZCRQOBDRCGBOF-OALUTQOASA-N 382.464 1.528 0 50 GDAA CCc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4ccccn4)C3)C2)nc1 1857684618 VPDILJBIJWOAJK-NQIIRXRSSA-N 381.480 1.928 0 50 GDAA O=C1C[C@H]2[C@H](CCN2C(=O)c2ccccc2-c2nc[nH]n2)N1Cc1ccccn1 1857685898 ZFQWJQXJABSMJI-ROUUACIJSA-N 388.431 1.882 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(Cc3ncccc3OC)CC2)cc1 1857694032 XLVOPKRMQMFDLQ-UHFFFAOYSA-N 377.466 1.605 0 50 GDAA Cc1ccccc1CCC(=O)N[C@@H]1CN2CCCC[C@]2(C(=O)NCCCO)C1 1857694713 ILLOSDFXUROZNV-SIKLNZKXSA-N 387.524 1.539 0 50 GDAA CN(C)c1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(C(=O)c2cn[nH]c2)CC1 1857694865 KWNWLCWULYCHFL-UHFFFAOYSA-N 395.511 1.986 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)NCCc4n[nH]c(=N)s4)CC3)nc2n1 1857720054 BSYBPFCONSBYOT-UHFFFAOYSA-N 387.469 1.371 0 50 GDAA COCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(C)c(F)c3)[C@H]3CC[C@]2(C1)O3 1857736967 XVPXVWJVXDAQLC-DKYLXPRQSA-N 376.428 1.516 0 50 GDAA 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384.816 1.586 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(Cc2cccnc2N)CC1 824155955 CYAVNUPGPAYURM-QGZVFWFLSA-N 389.500 1.613 0 50 GDAA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2C[C@H](n3ccnn3)C2)CC1 1875281661 OMIHVTCJQWYDDR-BZSNNMDCSA-N 397.479 1.676 0 50 GDAA Cc1c(NC(=O)c2cn(C[C@H]3CCCNC3)nn2)cccc1-c1nncn1C 952985934 UJFFAOWVZIZHNX-AWEZNQCLSA-N 380.456 1.634 0 50 GDAA C[C@H](NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1)[C@@H]1COc2ccccc21 888093562 GUXKWFPMZMQHFA-DKICVRJWSA-N 375.469 1.566 0 50 GDAA Cn1ccnc1[C@@]1(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)NC(=O)NC1=O 1775985517 GCQZGZHEXUKBTF-QGZVFWFLSA-N 386.799 1.020 0 50 GDAA COCCCn1c(C(=O)N2CCN(C)CC2)cc2c(=O)n3ccccc3nc21 55565760 IWRZRKHTAAFBMN-UHFFFAOYSA-N 383.452 1.073 0 50 GDAA CC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(CCn3cnnc3C)C2)s1 1506398171 MQXGICXCIJLFGN-HNNXBMFYSA-N 375.498 1.993 0 50 GDAA O=C(c1cncc(NCc2csc(-c3cnccn3)n2)n1)N1CCOCC1 1506399783 ITJKKBWSGMFBEP-UHFFFAOYSA-N 383.437 1.475 0 50 GDAA O=C1CN(c2ccc(C(=O)N3CCCN(C(=O)c4ccco4)CC3)cc2)C(=O)N1 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1.308 0 50 GDAA O=C(CCn1nnc2ccccc21)N1CCc2c(ncnc2N2CCOCC2)C1 77425975 YVQPJOGVJUEHIW-UHFFFAOYSA-N 393.451 1.033 0 50 GDAA COc1nc2c(cc1CNC(=O)c1ccc(=O)n(C)c1)C(=O)N(C1CCCC1)C2 71757267 UUXWSEXFZMAKDX-UHFFFAOYSA-N 396.447 1.617 0 50 GDAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cc2c(nc1O)CCCCC2 333332893 YZJFIOFBAIWYOP-ZDUSSCGKSA-N 390.465 1.865 0 50 GDAA CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)O1 376331287 KYTOZXNGLLQHHO-ZWKOTPCHSA-N 389.496 1.390 0 50 GDAA Cc1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c2ncccc2c1 219685776 WLMZXINJFRMRNW-KGLIPLIRSA-N 380.422 1.080 0 50 GDAA COCCNc1nc2cc(C(=O)N[C@@H]3CCCCN(C(C)=O)C3)ccc2n1C 82099351 WISOVZMSYVUOQE-MRXNPFEDSA-N 387.484 1.762 0 50 GDAA O=C(NCc1nnc2n1CCCC2)[C@H]1CCCN1S(=O)(=O)c1ccccc1 192907505 IFIIBFDOFKYVRL-OAHLLOKOSA-N 389.481 1.084 0 50 GDAA Cc1cc2c(cc1NC(=O)N(C)CC1(CO)CCOCC1)n(C)c(=O)n2C 426368367 XBYBFZDAXRAPPW-UHFFFAOYSA-N 376.457 1.438 0 50 GDAA CCc1ccc(CN2CCc3c(C(=O)N4C[C@@H](N)[C@H](O)C4)csc3C2)nc1 426387915 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O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1)c1ccccc1 298367857 TXQMENVILPFUQA-CQSZACIVSA-N 397.397 1.818 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 268987710 QLAYBCPLGYDRIP-GWCFXTLKSA-N 397.225 1.114 0 50 GDAA CCCn1cnnc1CNC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1 534592150 HYHXRQMFMZEQJE-UHFFFAOYSA-N 381.440 1.228 0 50 GDAA CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cnc4ccnn4c3C)[C@H]2C1 534671358 IEDQEQJNMSIVGW-PTSWNOGYSA-N 385.468 1.716 0 50 GDAA C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc(-c2cccnc2)no1 670450677 XZNJSCNSZOWWAS-NSHDSACASA-N 376.376 1.870 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 1875372155 XZNOWZQUHALSHT-CYBMUJFWSA-N 381.454 1.059 0 50 GDAA O=C(Cn1cncn1)N1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1 1875396085 VHCGHIJBTIQXHS-UHFFFAOYSA-N 389.481 1.469 0 50 GDAA CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H]2CN[C@@H]1C2 1875274134 MAGDYQBOJLZLIU-DDUYRFODSA-N 387.402 1.837 0 50 GDAA Cc1cc(N2CCO[C@@](C)(CNC(=O)CN3CC[C@@H](C)C3)C2)nc(C2CC2)n1 1775991590 LMJTYHHKCVVXFF-VFNWGFHPSA-N 387.528 1.716 0 50 GDAA COc1cccc2c1OC[C@@H](NC(=O)c1nnn(Cc3cc(C)on3)c1C)C2 1358386271 SOWFCZJASPTVHT-HNNXBMFYSA-N 383.408 1.673 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 275534081 DAPBGQDFRDASOB-NSHDSACASA-N 389.221 1.446 0 50 GDAA CCN(CCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccccc1C 410215972 POZRZDNLHQITBF-IAGOWNOFSA-N 396.557 1.838 0 50 GDAA CCC[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCCC1 413462835 WRZAZBJGOVJCAV-BYMDKACISA-N 391.472 1.209 0 50 GDAA O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCN(C[C@@H]2CCOC2)CC1 225835361 KGKYIESXLFPRDD-NSHDSACASA-N 380.844 1.961 0 50 GDAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](C)Oc2ncccc21 190420176 DHAMIOMIBYHSJA-LBPRGKRZSA-N 379.486 1.433 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C(=O)NC2CCCCC2)CC1 194019491 NGXXPUUJMONEHO-UHFFFAOYSA-N 385.468 1.516 0 50 GDAA Cn1c(N2CCC([C@H](O)c3cccs3)CC2)nc2c1c(O)nc(=O)n2C 1506341178 AQUYDNSYTMMFGH-ZDUSSCGKSA-N 375.454 1.384 0 50 GDAA CCc1nc(C)c(CN2CCCN(C(=O)CCCN3CCCC3=O)CC2)[nH]1 1529101579 IBAUDSHLNAWDPC-UHFFFAOYSA-N 375.517 1.717 0 50 GDAA CN(C)S(=O)(=O)C[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)C[C@@H]1O 1616076974 WNVZONRGKKGLGQ-KCJUWKMLSA-N 387.811 1.442 0 50 GDAA COCc1noc(CN2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 1772810693 OIFUQDDEZGWQRN-UHFFFAOYSA-N 398.467 1.759 0 50 GDAA Cc1cc(C)c2c(CC(=O)N3CCCN(C(=O)[C@@H]4CNC(=O)C4)CC3)coc2c1 1772703252 DDSACOPBFDUHIX-INIZCTEOSA-N 397.475 1.789 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)c(F)c1 12198368 VARAQFFCSYGJPU-KRWDZBQOSA-N 390.415 1.171 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2c[nH]nc2C)CC1 12316218 XHGHXMCTZINTRV-QGZVFWFLSA-N 375.517 1.951 0 50 GDAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1sc(C)nc1C)CC2 12450308 WXWOOZGMUDWCFJ-LLVKDONJSA-N 390.513 1.712 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 14538789 PJWBMIPXENJIDC-BZSNNMDCSA-N 397.862 1.780 0 50 GDAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NCCCN1CCOCC1 19770759 KLDOJKAAOCGZON-UHFFFAOYSA-N 381.432 1.274 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3nnc4n3CCCC4)C1)CC2 1857672102 JMVPZJBFLAIGRV-HXUWFJFHSA-N 397.483 1.296 0 50 GDAA O=C(c1cccc(O)n1)N1CC[C@@]2(C1)Cn1c(nnc1-c1ccccn1)CO2 1857691976 JDSCZOTXISMJFO-LJQANCHMSA-N 378.392 1.256 0 50 GDAA Cc1nonc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857707342 OSFLKPVNSCTZEQ-HKUYNNGSSA-N 386.452 1.417 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCCN=c3ccc(C)c[nH]3)CC2=O)s1 1857708269 YSNVETDWGSJMOT-ZDUSSCGKSA-N 388.497 1.197 0 50 GDAA CCN1CCC(N2C[C@@H]3[C@H](CNC(=O)c4[nH]cnc4C)[C@H]4CC[C@]3(C2)O4)CC1 1857716891 FVNMMZXVPBHOLR-XKGFGPFHSA-N 387.528 1.412 0 50 GDAA CCCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3[nH]cnc3C)[C@H]3CC[C@]2(C1)O3 1857726093 WGBFIIAUEKINPJ-NRTGNBEESA-N 375.473 1.437 0 50 GDAA COCCn1nnc([C@@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCO2)n1 1857727177 MPFMLJLYFWRUJN-IBGZPJMESA-N 380.452 1.955 0 50 GDAA O=C(NCc1ccccc1-n1cccn1)Nc1cnn(CCN2CCOCC2)c1 267147883 LYIKSZQAPCJVSB-UHFFFAOYSA-N 395.467 1.723 0 50 GDAA CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1 1704298461 HGXJWXXSMKTLTK-ZWKOTPCHSA-N 383.510 1.866 0 50 GDAA Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 862795 DPQUTZDNTABFLX-UHFFFAOYSA-N 390.399 1.719 0 50 GDAA COCC[C@@]1(C)CN(C(=O)[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCO1 2325807116 BKICQZVTVWGRRW-XLIONFOSSA-N 385.468 1.941 0 50 GDAA CC(=O)N1CCN(c2cccc(NC(=O)c3c[nH]c4ncnc(O)c34)c2)CC1 2325865370 ZXRNWZAIKMZLGF-UHFFFAOYSA-N 380.408 1.584 0 50 GDAA COC(=O)COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C 813938 RTJMGIJCKXDTQC-UHFFFAOYSA-N 393.417 1.754 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 826330 QUSPUJJUTGSQHE-NYUBLWNDSA-N 391.464 1.919 0 50 GDAA COc1cc2nc(CSCC(=O)N3CCOCC3)[nH]c(=O)c2cc1OC 11866061 MKNCCVZHVFNTEX-UHFFFAOYSA-N 379.438 1.032 0 50 GDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1)CC2 12158993 YQUQSOVLYSDPON-HNNXBMFYSA-N 387.484 1.559 0 50 GDAA CCN(CC)CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC 12303938 MNOZVSAUENUQEX-GOSISDBHSA-N 390.528 1.186 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)CC1 23338741 PUOXYJJBPDWAGB-QGZVFWFLSA-N 377.489 1.118 0 50 GDAA CCC(=O)Nc1cccc(OCC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 55182929 UQJVDSUQUFTXPS-SFHVURJKSA-N 377.485 1.983 0 50 GDAA O=C(CC[C@H]1NC(=O)NC1=O)NCc1cccnc1-n1cnc2ccccc21 67675558 BCVZEUWAJTZXJC-CQSZACIVSA-N 378.392 1.025 0 50 GDAA Cn1cc(NC(=O)c2cccc(CN3CCN(c4cnccn4)CC3)c2)cn1 67834137 AZAGRMZYLHNVOZ-UHFFFAOYSA-N 377.452 1.785 0 50 GDAA COCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 72142102 OTZAQICKENWJAI-FQEVSTJZSA-N 376.453 1.691 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 72437889 CYIZXPMMIXLKQR-INIZCTEOSA-N 380.510 1.523 0 50 GDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O 77377130 OBTYDWTVYNVONA-IBGZPJMESA-N 393.553 1.781 0 50 GDAA O=C(CCn1cccn1)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91350486 UDDNVWQPAZWKRS-UHFFFAOYSA-N 398.511 1.791 0 50 GDAA Cc1nn(CC(=O)NCCCn2nnc3ccccc32)c(=O)c2ccccc12 91474055 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JSKNPHJFSDZTJW-UHFFFAOYSA-N 382.512 1.986 0 50 GDAA C[C@H](Cn1cccn1)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 283602756 WUTOCIIFRMHVGG-GFCCVEGCSA-N 379.258 1.809 0 50 GDAA O=S(=O)(C[C@H]1CCCO1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 284591982 HVFXBDBONNFKQI-CVEARBPZSA-N 378.454 1.149 0 50 GDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 299746685 ZCLMFSFHCQKHAQ-PWSUYJOCSA-N 390.255 1.516 0 50 GDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C(=O)O)c1 299750182 MSGQKLNEHCCUPY-CLCXKQKWSA-N 376.478 1.809 0 50 GDAA CN1CCN(c2cccc(NC(=O)NCCSc3nncn3C)c2)C1=O 299764025 QSJKLNWKZRWWDS-UHFFFAOYSA-N 375.458 1.601 0 50 GDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncs1 299769154 KDKXYEXJOLOGMN-MRXNPFEDSA-N 392.525 1.222 0 50 GDAA Cc1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)cc(S(=O)(=O)N(C)C)c1C 329135208 CBPRZLVLBOKNOM-LJQANCHMSA-N 396.509 1.575 0 50 GDAA COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cn1 363746194 FSOSGRKODYVXNL-QGZVFWFLSA-N 385.468 1.976 0 50 GDAA Cc1sc(=O)n(CC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1C 376433072 GXOKDKUHQZPHKS-LSDHHAIUSA-N 397.497 1.423 0 50 GDAA O=C1OCCCN1CCNC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 426685385 OXOXCWKREIZNLE-INIZCTEOSA-N 395.481 1.228 0 50 GDAA CC(C)N1CCC(O)(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 472435387 GJSRJRCXCFPZMK-LJQANCHMSA-N 393.503 1.551 0 50 GDAA CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)Cc1c(C)nc(C)nc1O)CC2 534583484 OAXIURIFQNHCOX-SIXWZSSISA-N 376.457 1.016 0 50 GDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCC[C@@H]1CO 670455923 JEESECXELWEMIZ-QGZVFWFLSA-N 378.498 1.306 0 50 GDAA COCCCn1cnnc1CNS(=O)(=O)c1ccc2nc(C)sc2c1 824396862 JNIXCURKWNHPBT-UHFFFAOYSA-N 381.483 1.711 0 50 GDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1c(C)cnn1C 842329618 VBHQNUHFJUJWMW-UHFFFAOYSA-N 387.845 1.526 0 50 GDAA CNS(=O)(=O)N1CCC(C(=O)Nc2ccnn2-c2ccc(F)cc2)CC1 871355743 YDQPYKWJJWUGMZ-UHFFFAOYSA-N 381.433 1.126 0 50 GDAA OCCOc1ccccc1CN[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 952977808 LBNAZOFLGFIZQC-GWHCDVRWSA-N 393.531 1.715 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)NCCc1cccs1)C2 1073297245 XOEDSKIURPEMLM-KGLIPLIRSA-N 378.498 1.011 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]c2c1COCC2 1303552937 RLOOHHUGOQNLFK-KRWDZBQOSA-N 385.399 1.789 0 50 GDAA Cc1cc(N2C[C@H]3COC[C@@H](C2)CN3Cc2ccc3c(c2)OCCO3)nc(N)n1 1772711558 ZJGCNPZVFINMLU-SJORKVTESA-N 397.479 1.476 0 50 GDAA COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(C)c1C 1857669488 WPBKOTHYHKUSJN-KBXCAEBGSA-N 383.466 1.732 0 50 GDAA COC(=O)c1cncc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1 1857674116 RJPICCFDECYYQT-OAQYLSRUSA-N 395.415 1.758 0 50 GDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@H]12 1857713675 CELJJLSPIZFUSK-PYWIUJKZSA-N 395.459 1.856 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCC3(O)CCCCC3)CC2=O)s1 1857714428 UKCYBAVAWHECAA-LBPRGKRZSA-N 382.486 1.239 0 50 GDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H]1CCc3ncnn3C1)CC2 1857740642 RXMQFZDUFVENAD-MRXNPFEDSA-N 376.464 1.868 0 50 GDAA COC(=O)Nc1ccc(S(=O)(=O)NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 1875331142 RKFWPGASQQZPIQ-AAEUAGOBSA-N 396.469 1.478 0 50 GDAA COc1ccccc1C(=O)N1[C@H](C(=O)NS(C)(=O)=O)C[C@H]2CCCC[C@H]21 1875390772 JAHDQONZZNHDCO-YUELXQCFSA-N 380.466 1.544 0 50 GDAA COc1nccc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c1Br 1875402367 DSVDZGWBMYBHPR-CYZMBNFOSA-N 395.257 1.619 0 50 GDAA COc1cccc2c1OC[C@@H](C(=O)N=c1[nH]c(N3CCOCC3)ncc1F)C2 2100554860 DAISOHILCYQTSS-ZDUSSCGKSA-N 388.399 1.073 0 50 GDAA CO[C@H](C)C(=O)N1CC[C@]2(C1)c1ncn(C)c1CCN2C(=O)C1CC(F)(F)C1 2325776929 NUWWVAUXUQREBX-XIKOKIGWSA-N 396.438 1.313 0 50 GDAA CCO[C@H]1CCN(Cc2nc(C(=O)N3CCc4ccnc(OC)c4C3)co2)C1 2325816037 KLHGKNOVGVKPKQ-HNNXBMFYSA-N 386.452 1.888 0 50 GDAA CCOCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 2869366 QWUBDDNCHZHXHZ-UHFFFAOYSA-N 392.905 1.948 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1OC 4502547 YSBQSWBYOSPABK-AWEZNQCLSA-N 382.482 1.727 0 50 GDAA Cc1cc(-c2n[nH]c3c2CN(C(=O)Cc2cnc4ncnn4c2)CC3)c(C)o1 23379588 FHCBBRZKVZIHFT-UHFFFAOYSA-N 377.408 1.852 0 50 GDAA O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)NCCNC2=O 67947054 FDIIPGUIYAZCAJ-UHFFFAOYSA-N 377.554 1.769 0 50 GDAA Nc1nc(CCC(=O)N2CCC[C@H]2c2ccc(C(=O)NCCO)s2)cs1 20785944 WMYQSPZKNVSCJL-LBPRGKRZSA-N 394.522 1.805 0 50 GDAA CCn1nccc1NC(=O)Cn1cc(-c2ccc3nc(C)[nH]c(=O)c3c2)cn1 23366700 MSWZIBHVHZPJOU-UHFFFAOYSA-N 377.408 1.950 0 50 GDAA CCc1nc(CN(C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)no1 67756464 GDSDMSNTIBXUGX-LJQANCHMSA-N 376.432 1.757 0 50 GDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 20918859 BYCQYFZMDFROGP-UHFFFAOYSA-N 383.427 1.600 0 50 GDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 20028295 RHSJXNXLXQNCNP-UHFFFAOYSA-N 399.488 1.009 0 50 GDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 328605237 MSYJGXPABXSZRJ-UHFFFAOYSA-N 398.481 1.408 0 50 GDAA O=C(c1c(F)cccc1F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530587 RDMNYWSPODZICF-UHFFFAOYSA-N 389.406 1.554 0 50 GDAA CS(=O)(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 12301095 ZHBPHTZJQSIRMZ-LJQANCHMSA-N 393.553 1.829 0 50 GDAA NC(=O)COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1 363280518 OEWYANYFIRNQNV-KRWDZBQOSA-N 397.431 1.177 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)c1 366497594 NIKKUWZHSGFQIN-RXVVDRJESA-N 395.507 1.592 0 50 GDAA C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2c(c1)OCO2 332844123 XAYJZOXDQBRWBZ-TZMCWYRMSA-N 385.424 1.705 0 50 GDAA CC(C)[C@@H](C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)N1CCCC1=O 374438826 IAUMSISEXXOWLG-KRWDZBQOSA-N 385.530 1.050 0 50 GDAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)CCO)C2)c1ccccc1 77470163 TWPIHCSXANASKX-HNNXBMFYSA-N 388.489 1.993 0 50 GDAA CCN(CC(=O)O)C1CC(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C1 262705437 JIKWBNLBRZUKSJ-JCYILVPMSA-N 395.887 1.961 0 50 GDAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC(=O)N(Cc2ccco2)C1 238218539 WLIUYHIHYFKJSY-KBXCAEBGSA-N 395.415 1.922 0 50 GDAA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)O)c1=O 218046086 VTAMUOAUEAEYOK-GFCCVEGCSA-N 391.376 1.356 0 50 GDAA biogenic CCc1ccc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 285399383 ICOHSRFFUJOTQN-LLVKDONJSA-N 378.541 1.545 0 50 GDAA CN(CC(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 242167660 WYMHKAHCYCTJNJ-CAOSSQGBSA-N 384.885 1.596 0 50 GDAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1-n1cncn1 72161235 PQAVYJGVKFITNO-KRWDZBQOSA-N 375.432 1.841 0 50 GDAA CN1C(=O)N(C)C2(CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)C1=O 426555815 FHJJIRAQOVKHHI-UHFFFAOYSA-N 382.420 1.037 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 220218165 AXNYUHHGQIUHRI-LJQANCHMSA-N 378.436 1.953 0 50 GDAA CCN(Cc1noc(C2CCC2)n1)C(=O)CN1CC2(CCNCC2)OC1=O 95521802 BCYSULORSYTEBL-UHFFFAOYSA-N 377.445 1.260 0 50 GDAA O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)NCC2CCCC2)c1 95374748 NFAXPJDEQFAZHS-INIZCTEOSA-N 382.482 1.300 0 50 GDAA OCCNc1nc([C@H]2CCOC2)cc(N2CCC(N3CCCCC3)CC2)n1 426394473 DKCOJNUZCORYIG-INIZCTEOSA-N 375.517 1.839 0 50 GDAA CN(C)C(=O)N1CCn2nc(CNC(=O)CN3CCCCCCC3)cc2C1 91551605 PIZCPVHFBHCMRG-UHFFFAOYSA-N 376.505 1.263 0 50 GDAA COCc1noc([C@H](C)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 182164695 UQGMTSUSXYODNF-INIZCTEOSA-N 399.495 1.874 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c1 244734802 NMFXKOVVNCIHIG-USBNGQNGSA-N 379.413 1.110 0 50 GDAA O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@@H](CO)c1ccccc1 252548576 QDQUALNMCJLEPR-MSOLQXFVSA-N 381.432 1.594 0 50 GDAA COc1ccccc1CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 252430913 RZUTZPASIZJCSR-OCQZMCQHSA-N 395.415 1.594 0 50 GDAA Cc1nc(N)sc1CC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 827861551 NLLMPRHWYMWJFY-QOSBUDKSSA-N 397.548 1.260 0 50 GDAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(-c2cc[nH]n2)oc1C 822831072 PBGQOQGCHSRNGG-CQSZACIVSA-N 380.470 2.000 0 50 GDAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCCOc2cccc3cccnc23)C1 670446917 SEKZQKAEEPLEDS-AWEZNQCLSA-N 379.438 1.245 0 50 GDAA Cc1nc(C(=O)NC2CC(C(C)(C)O)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404118 VTLKJGKJVYKRSZ-UYSNPLJNSA-N 375.517 1.513 0 50 GDAA COC(=O)c1ccc2sc(N3CCC[C@H](CNS(N)(=O)=O)C3)nc2c1 1875313612 QVIRPQOTGVYFLI-SNVBAGLBSA-N 384.483 1.092 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nc(OC)c(C)cc3C)C2)n1 1875397426 ZQEQPRYEGMJFLV-MRXNPFEDSA-N 398.511 1.842 0 50 GDAA Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)N2C(=O)CCC2=O)s1 1875322222 MOJVUJNNACMKJM-RDBSUJKOSA-N 389.477 1.328 0 50 GDAA O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1n[nH]c2c1CNCC2 877013037 JFUKGMNQYJTFRR-AWEZNQCLSA-N 375.860 1.344 0 50 GDAA O=C(c1cnccn1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CC2CCC2)CC1 888103683 SXRIOMHLMQWGES-OALUTQOASA-N 398.511 1.349 0 50 GDAA C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)CN1CCCC1=O 1319680541 OCQHWJHBUJMJOH-NEPJUHHUSA-N 379.507 1.876 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)C1 1506398492 CJZMDDTUKCLRJF-CQSZACIVSA-N 396.538 1.940 0 50 GDAA Cc1nn2c(NC(=O)CCNC(=O)c3ccc(F)cc3)csc2nc1=O 1506400685 OLZSIDUWJACQPB-UHFFFAOYSA-N 375.385 1.357 0 50 GDAA Cn1cncc1C(=O)N1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3N2)CC1 1529145824 NKBPZHOWLGSABT-INIZCTEOSA-N 387.871 1.785 0 50 GDAA CCOCC(=O)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529101765 MERCKRLQPCPACF-UYAOXDASSA-N 390.480 1.223 0 50 GDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCNS(C)(=O)=O)C2 1772811971 CWSJRVZQGNQBIP-LLVKDONJSA-N 398.510 1.185 0 50 GDAA O=C(CCC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1 11933765 ZFYKJGVJAZYRIK-QGZVFWFLSA-N 398.507 1.728 0 50 GDAA O=C1CCC(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccc(F)c(F)c2)=NN1 12184837 OUIABQUXOKMVQL-GFCCVEGCSA-N 390.390 1.798 0 50 GDAA Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)n1 12515934 LNATUOZBPSJCCA-JXMROGBWSA-N 376.420 1.939 0 50 GDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4=NNC(=O)CC4)C3)C2=O)c1 12579762 YZJDKLHIFZNAAM-OAQYLSRUSA-N 398.463 1.302 0 50 GDAA CCOC(=O)N1CCN(C(=O)CCN2Cc3ccccc3O[C@@H](C)C2)CC1 14996819 GCXHLDNTYDRDSH-INIZCTEOSA-N 375.469 1.960 0 50 GDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nc2ncccc2o1 1857679502 WYJLNEFHKYFJBE-MRXNPFEDSA-N 393.447 1.538 0 50 GDAA CCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)NCCO3)cc1OCC 1857693845 PCEAPIHYJTWZSU-UHFFFAOYSA-N 376.453 1.995 0 50 GDAA CC[C@@H]1[C@H](C(=O)NCCc2cccnc2)C[C@@H]2CN(c3ncccn3)CC(=O)N21 1857695012 PMDXXAKWOGOQGD-KZNAEPCWSA-N 394.479 1.046 0 50 GDAA O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 330295297 JEMYZUHYEPEGGN-RYUDHWBXSA-N 381.420 1.953 0 50 GDAA COc1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)cc(Cl)c1OCC(N)=O 377166379 ZOOYSYNIKNBHIW-WFUOPTCYSA-N 394.855 1.708 0 50 GDAA CN1CCN(c2cc(NC[C@@H](O)c3ccc(C(F)(F)F)cc3)ncn2)CC1=O 808073513 GUGUHYKJSNSCLO-CQSZACIVSA-N 395.385 1.919 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)CS(C)(=O)=O)(c2ccccc2)CC1 847496431 OFFNMZPFUGURIW-HNNXBMFYSA-N 378.494 1.282 0 50 GDAA CCn1cncc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100537458 NRKJRGQHFCCNMX-UHFFFAOYSA-N 398.511 1.715 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H]1CN=c1ccc2nnc(-c3ccccc3)n2[nH]1 2325792672 CAFJLWALRLJNMN-OAHLLOKOSA-N 386.481 1.439 0 50 GDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1C[C@@H]2CCOC[C@]2(CO)C1 2356153186 VVIRVGIRWGALQI-HTAPYJJXSA-N 398.459 1.435 0 50 GDAA CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 4816161 ZNKTYKTVNVQQBS-UHFFFAOYSA-N 398.511 1.544 0 50 GDAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)ccc1OCC(=O)O 4950505 GTZLJZZQTYIKKM-HNNXBMFYSA-N 380.422 1.515 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)CSc3nc(C)n[nH]3)CC2)c1 53674169 DIAFDTLDEIKZEM-UHFFFAOYSA-N 375.454 1.198 0 50 GDAA COC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@@H]2CC[C@@H](N)C2)c1=O 67740936 MLCZPPYGZDUHRU-HZPDHXFCSA-N 383.448 1.487 0 50 GDAA O=C(c1cn(CCc2ccccc2)nn1)N1CCC(CN2CCOCC2)CC1 23130284 MPCPZPWVZOVOEP-UHFFFAOYSA-N 383.496 1.705 0 50 GDAA NC(=O)C1CCN(CC(=O)N2CCC(c3n[nH]cc3-c3ccccc3)CC2)CC1 67472900 UFOQOUODSIJIGE-UHFFFAOYSA-N 395.507 1.980 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC2(CCNC(=O)CC2)CC1 67673107 XUJGDKPZXVGZPB-UHFFFAOYSA-N 379.482 1.165 0 50 GDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)CN1CCCCC1=O 67818815 XIZHXXRXJKIPGB-UHFFFAOYSA-N 381.480 1.784 0 50 GDAA OC1CCN([C@@H]2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2O)CC1 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COc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1-n1cnnn1 180773376 NEMCFOPGUYCDIO-UHFFFAOYSA-N 376.380 1.719 0 50 GDAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)cc2[nH]cnc12 185398095 WRUHZHHLLIADQS-GOSISDBHSA-N 396.422 1.902 0 50 GDAA CCOC(=O)CNC(=O)N1C[C@@H]2OC(=O)N(CCc3ccc(OC)cc3)[C@@H]2C1 209194820 WNIYDUOJDWEMJE-CVEARBPZSA-N 391.424 1.015 0 50 GDAA Cc1cc(=O)[nH]c(NCCNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1 223919865 OKTZUMNAOIFHMY-UHFFFAOYSA-N 380.452 1.652 0 50 GDAA CCc1nnc(NC(=O)CCN2CCC([C@H](O)c3nccn3C)CC2)s1 244773720 PFDRKUWOKFETGR-HNNXBMFYSA-N 378.502 1.608 0 50 GDAA O=C(CN1CCS(=O)(=O)CC1)NC1(c2cccc(C(F)(F)F)c2)CCC1 266093131 ZLHDLAHSHPVYRT-UHFFFAOYSA-N 390.427 1.931 0 50 GDAA COc1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc(C(=O)O)c1OC 285181420 UQSKBRRWAXEEJX-UHFFFAOYSA-N 381.410 1.736 0 50 GDAA CN1C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(=O)C12CCCCC2 299744136 RDVWJJQHOFSUSJ-HNNXBMFYSA-N 387.436 1.395 0 50 GDAA CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CSCN2C(C)=O)C(=O)O)cc1 299748351 HBEWGQRRMTZEQW-GOEBONIOSA-N 380.466 1.366 0 50 GDAA CN1C(=O)C[C@@H](C(=O)NCCc2ccc(OCC(=O)O)cc2)c2ccccc21 299748591 HOLHMUOZJXTYHW-QGZVFWFLSA-N 382.416 1.959 0 50 GDAA Cc1oncc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299768104 GCNWXPYTRJQMRB-KRWDZBQOSA-N 390.484 1.062 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CC[C@H](CN3CCOCC3)C2)n1 328653621 WZEBAGUHQGLWLD-GGPKGHCWSA-N 389.544 2.251 0 50 GDAA Cc1cc(C(=O)NCc2nc3ccccc3n2C)c2c(O)nc(=O)n(C)c2n1 426425466 PRYYLVLHBCSQFU-UHFFFAOYSA-N 378.392 1.159 0 50 GDAA O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N[C@@H]1CCc2c(O)cccc21 490528967 SEMUSKYPUNYODC-QGZVFWFLSA-N 377.404 1.774 0 50 GDAA Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(-c3cnn(CC(N)=O)c3)cc2)n1 534637751 DZJTUILRGGVTSP-AWEZNQCLSA-N 380.452 1.667 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)n1 670451109 HQVIQOFTVZBRKU-KRWDZBQOSA-N 383.452 1.621 0 50 GDAA COCCN1CCC[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C1 824413224 WXQJFEDQNVWWGS-JTMYGCHMSA-N 388.516 1.196 0 50 GDAA Cc1cc2c(N3CCCO[C@@H](CNC(=O)c4ccc(F)cn4)C3)nccn2n1 888103340 DMXGULMDEOHPCJ-HNNXBMFYSA-N 384.415 1.597 0 50 GDAA CC(=O)c1c(C)nn(CC(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)c1C 952978747 VFGHVGIWROKARO-OAHLLOKOSA-N 384.502 1.023 0 50 GDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 952986883 IWBVVEQPFHMXCL-SFHVURJKSA-N 387.480 1.632 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc3ccc(Cl)cc3nc2O)C[C@H]1O 1529125663 VGCWGSQTCGLBRE-XJKSGUPXSA-N 399.900 1.278 0 50 GDAA COc1ccc(CN2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2=O)cc1 1529158465 DOFXBEFHOORAIS-UHFFFAOYSA-N 395.463 1.570 0 50 GDAA Cc1cc(C)n(-c2cccc(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2)n1 1529197511 RBFATOWTCUXACN-PKOBYXMFSA-N 392.525 1.173 0 50 GDAA CCc1nccn1CCC(=O)N1C[C@H]2COC[C@@H]1CN(Cc1ccc(C)cn1)C2 1704316004 SDNBSLLWUALCME-ICSRJNTNSA-N 397.523 1.898 0 50 GDAA COc1ccc(CN2CCC3(CC2)OCC[C@@](C)(NC(C)=O)[C@@H]3O)c(F)c1 1772707114 PONJWEPDZRUXJE-RBUKOAKNSA-N 380.460 1.845 0 50 GDAA COc1cc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@]3(CO)C2)ccc1F 1772803942 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O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnc(N2CCCC2)n1 2325785541 DCVRCVAWLXLJQQ-DAXOMENPSA-N 390.875 1.496 0 50 GDAA C[C@H](N=c1[nH]c(C(=O)NC[C@H]2OCCOC2(C)C)cs1)c1ccn(C)n1 2325825469 QWCHBBGEQPXXME-SMDDNHRTSA-N 379.486 1.395 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC[C@H]1NS(=O)(=O)c1ccccc1 2356147898 WSYSLGZLVIGDEZ-IAOVAPTHSA-N 392.481 1.188 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4ccccc4N4CCOCC4)C[C@@H]13)O2 2356148709 OGUPWFXFSUSLHI-RQIDZSJNSA-N 385.508 1.704 0 50 GDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1Cl 719645 NHRQEERAIWIEGM-ZDUSSCGKSA-N 375.812 1.742 0 50 GDAA COC(=O)NC(=S)Nc1cc2nc(C)[nH]c2cc1NC(=S)NC(=O)OC 1888955 KVODVAWXWLSOPO-UHFFFAOYSA-N 396.454 1.977 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1 2722843 OODXHJLIJWNJIH-UHFFFAOYSA-N 386.433 1.824 0 50 GDAA Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCN(C)C 6665329 DLAWIGBPXDBXNX-UHFFFAOYSA-N 398.442 1.207 0 50 GDAA O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)C1 247337025 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CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 328614843 XARYJWMJHFOAFQ-MRXNPFEDSA-N 377.426 1.352 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)n1 328613982 UTZCAMQOTOTKQQ-XIKOKIGWSA-N 393.465 1.799 0 50 GDAA Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)cs1 216245664 DYVMYEIDURWSFR-ZDUSSCGKSA-N 381.479 1.449 0 50 GDAA O=C1OCc2ccc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc21 328608730 BDBDYELQHPKRLP-CJNGLKHVSA-N 379.459 1.815 0 50 GDAA O=C(NCCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71761170 DVSNCQXSWRRXII-GOSISDBHSA-N 384.524 1.853 0 50 GDAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71479406 WSHMNZXVSIUABR-CYBMUJFWSA-N 384.219 1.513 0 50 GDAA CCNC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN(C)C3)ccc2C1 77380231 LIUZUTFKZCHFSI-HNNXBMFYSA-N 394.541 1.394 0 50 GDAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1-n1cncn1 72161234 PQAVYJGVKFITNO-QGZVFWFLSA-N 375.432 1.841 0 50 GDAA COC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1 215824696 GQDYZZVYQNTEMC-MRXNPFEDSA-N 383.514 1.168 0 50 GDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]nc(C(C)C)c2C1 72134557 MZYHDCBEKGDEIV-KRWDZBQOSA-N 375.517 1.654 0 50 GDAA CN(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 72135615 IMUMNHPKFZYHNN-OAHLLOKOSA-N 386.418 1.074 0 50 GDAA O=C(NCCn1cccn1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71745866 LIAOUJCQQGHLHX-FQEVSTJZSA-N 396.539 1.771 0 50 GDAA CC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 176802906 BYNWBMMEAMLGRQ-GOSISDBHSA-N 389.471 1.688 0 50 GDAA O=C(CCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)c1ccc(F)cc1 221353608 JRHVNRRHIJXFSP-SFHVURJKSA-N 375.400 1.443 0 50 GDAA CCc1nc(CNC(=O)c2cccc(-c3cncc(C(=O)N(C)C)n3)c2)no1 426435429 POUCWDPGXJKUSI-UHFFFAOYSA-N 380.408 1.721 0 50 GDAA CC(C)c1nc(CNC(=O)N2CCC(c3nnc(CO)n3C)CC2)cs1 426438941 UWOOWVAFLRNYHU-UHFFFAOYSA-N 378.502 1.977 0 50 GDAA COc1cc2c(cc1CN1CCC3(CC1)NC(=O)C[C@H]3C(=O)O)OCCCO2 95362678 TWCOIZQFPQEAJR-AWEZNQCLSA-N 390.436 1.412 0 50 GDAA Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)o1 95390528 AOWUCOWXJGDCCM-UHFFFAOYSA-N 378.450 1.833 0 50 GDAA O=C(O)Cn1nc(COc2ccc(Cl)cc2)nc1-c1[nH]cnc1C(=O)O 97679987 MHIWSFVWTKTXEF-UHFFFAOYSA-N 377.744 1.683 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 95506379 RHLGUFWDTHADLK-LSDHHAIUSA-N 397.479 1.033 0 50 GDAA O=C(C[C@@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91595952 HGRQZTKFEXKTPC-LJQANCHMSA-N 385.508 1.796 0 50 GDAA CC[C@@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1nc(C)no1 95376720 NDMKVVMGETZVQV-CQSZACIVSA-N 384.440 1.982 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C(=O)O)CC2=O)cc1OC 299751487 QQQVFWZYSCAOLM-JSGCOSHPSA-N 376.409 1.522 0 50 GDAA CCOC(=O)N1CCN(C(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)CC1 252498658 RHJZGFBFWXIRQT-OAHLLOKOSA-N 388.424 1.002 0 50 GDAA CN1C(=O)CC[C@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)O)[C@@H]1c1cnn(C)c1 268907223 NYNRZZOSUMTYAU-IEZWGBDMSA-N 398.463 1.389 0 50 GDAA CN(C(=O)NCC1(c2cccc(F)c2)CCCC1)[C@@H]1CS(=O)(=O)C[C@H]1O 534674062 STIWAKIKORVOGQ-HZPDHXFCSA-N 384.473 1.437 0 50 GDAA O=C(N[C@@H]1CCNC1=O)c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1 534663450 QCPUUDQKDMTXGC-LJQANCHMSA-N 380.448 1.199 0 50 GDAA CN1CCc2cc3c(c(OCC(=O)NCCc4ccccn4)c2C1=O)OCO3 827841245 JUONWVNUIRLFDW-UHFFFAOYSA-N 383.404 1.176 0 50 GDAA biogenic O=C(NCc1csc(N2CCOCC2)n1)N1CC[C@H](N2CCCCC2)C1 827904530 ITBWKHRYAPTAFI-INIZCTEOSA-N 379.530 1.750 0 50 GDAA CCCCN(Cc1ccsc1)C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 584899113 PFZDJEFMSXFYPJ-OAHLLOKOSA-N 389.543 1.720 0 50 GDAA C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(C(=O)O)c(F)c3)CC2)S1 871901860 MZQGBZXUXFCWQA-SNVBAGLBSA-N 387.458 1.322 0 50 GDAA C[C@H]1OCC[C@@]1(F)C(=O)NCCC(F)(F)Cn1cc(-c2cnccn2)nn1 1875356386 JLSABYHAJZGTDE-BZNIZROVSA-N 384.362 1.394 0 50 GDAA CCNS(=O)(=O)c1ccc(C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)cc1 1875393981 WKPVOIOTSGFMST-CRICUBBOSA-N 399.538 1.509 0 50 GDAA O=C(NCCNC(=O)N1CCOCC1)NCc1ccc(F)cc1C(F)(F)F 1875300471 DNWHSXTWAMVBJX-UHFFFAOYSA-N 392.353 1.686 0 50 GDAA COCCn1nnc2c1C[C@H](c1nc(-c3nnc(SC)s3)no1)CC2 952893725 JUFGKDFUPXBRAS-MRVPVSSYSA-N 379.471 1.820 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)Nc2c[nH]c3cc(Br)ccc23)C[C@H]1O 1875400449 AJOMTSQZUFCCPT-YMTOWFKASA-N 395.257 1.891 0 50 GDAA O=C(CCc1cncc(Br)c1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402957 NMEZCBNNBNCREI-NUEKZKHPSA-N 393.285 1.929 0 50 GDAA O=C(NCc1nc(-c2ccncc2)cs1)NC[C@H](O)CN1CCCCC1 876380862 MVHZFIKSRQCSQS-HNNXBMFYSA-N 375.498 1.851 0 50 GDAA Cc1c(C(=O)N2CCC[C@H](CNC(=O)c3cscn3)C2)cnc2ccnn12 952972103 NXKQDDRQPVGLGS-CYBMUJFWSA-N 384.465 1.776 0 50 GDAA CN(CCC(=O)N(C/C=C/c1ccccc1)CCO)[C@@H]1CCS(=O)(=O)C1 952871666 AJNIHLJVGXNPJF-KRZKXXONSA-N 380.510 1.030 0 50 GDAA CNC(=O)NCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C2(CF)CC2)C1 1775996822 JSAFIUBHZJALJW-CABCVRRESA-N 382.480 1.285 0 50 GDAA CN1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@H]1c1nccn1C 275525419 FGBHTDBYSQIENI-LBPRGKRZSA-N 385.394 1.371 0 50 GDAA O=C(N[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@H]1CCCNC1 170676360 AODXHUXUPPIWLL-SWLSCSKDSA-N 395.301 1.565 0 50 GDAA Nc1c(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)ncnc1-n1cccn1 301787894 QCRSJJKGOXDQBQ-INIZCTEOSA-N 393.451 1.765 0 50 GDAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 225395437 JJTRTWAHHDRQKI-YZGWKJHDSA-N 383.492 1.823 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CNC(=O)c1ccccc1 1323222002 SMJIEPJSVCILOV-HNNXBMFYSA-N 390.465 1.228 0 50 GDAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCN(C)C3(CCN(C)CC3)C2)c1 1506422694 BZXHASSPRJUYHJ-SFHVURJKSA-N 377.485 1.541 0 50 GDAA O=c1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c2cccc3c2n1CCC3 1529180101 BCJMMVWKRHZBJN-YLJYHZDGSA-N 376.460 1.773 0 50 GDAA CNCC(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)CCC1CCCC1)[C@@H]2O 1704324995 IVAMJJVSALROTE-VQTJNVASSA-N 395.544 1.194 0 50 GDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CNC[C@]2(CN(C)C)C1 1772703257 CXEOYZIKEMGDOB-APWZRJJASA-N 390.509 1.422 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F 14745708 QSIPJDZPDKNTSY-QGTPRVQTSA-N 399.397 1.405 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](N2CCOCC2)[C@H](O)C1 15061573 ANBWWCRLMHEORC-NHCUHLMSSA-N 388.487 1.896 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H]2CN(Cc3cnc[nH]3)CC(=O)N2[C@@H]1c1ccc(OC)cc1 1857692571 KZKGMOWVAKPTDM-YVWKXTFCSA-N 397.479 1.328 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCC(=O)OC)CC3=O)sc2c1 1857708550 ZMGIEMWAVQOCON-NSHDSACASA-N 391.449 1.727 0 50 GDAA O=C(N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-n3cccn3)c1)C2)[C@H]1CCOC1 1857711141 JIADNGMDSJAPFD-DMUMMCEESA-N 394.475 1.876 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3)c1cscn1 1857722634 KWMYIGRNRLMQOU-HSTIPLNKSA-N 375.429 1.486 0 50 GDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3OC(F)(F)F)C[C@@H]12 1857740977 WJDRDAWPRNVLRP-GUTXKFCHSA-N 378.416 1.744 0 50 GDAA CC(C)(C)OC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 5016382 GTZWYUFQILWIKP-HNNXBMFYSA-N 375.425 1.577 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)c(F)c1 11879141 ZHQQQDUKUGQNPG-INIZCTEOSA-N 383.489 1.394 0 50 GDAA O=C(CCCn1c(=O)oc2ccccc21)N1CCN(CCCCCO)CC1 913689460 PCWZNEFTIMXJHX-UHFFFAOYSA-N 375.469 1.682 0 50 GDAA C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(c3ncnc4c3NC(=O)CO4)C2)O1 2325780463 JCNYXLRHTHDZJP-BTYIYWSLSA-N 395.463 1.677 0 50 GDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2NCC(=O)O)CC1 55255025 UHSFLYDIWWIHOV-UHFFFAOYSA-N 388.468 1.129 0 50 GDAA O=S1(=O)CC[C@@H](N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 20598308 NZPJQJDMGDCALV-OAHLLOKOSA-N 396.900 1.695 0 50 GDAA Cc1cnc(N2CCC([C@@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)nc1N 67842963 MSDPIAOICPLWRL-HXUWFJFHSA-N 398.442 1.544 0 50 GDAA Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cc12 252480471 CASGFMVOSLTMSP-QGZVFWFLSA-N 381.411 1.947 0 50 GDAA COCCN1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3OC)C2)CC1 20406466 LFDLMQIGRKGVOU-SFHVURJKSA-N 389.496 1.224 0 50 GDAA O=C1COc2cc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)c(Cl)cc2N1 328627312 MPUVLSUIEZDRGQ-SNVBAGLBSA-N 396.856 1.408 0 50 GDAA Cc1cnn(CCC(=O)N2CCC[C@@H](c3cc(N4CCOCC4)ncn3)C2)c1 72430917 PYPJICGBHHQOOY-QGZVFWFLSA-N 384.484 1.614 0 50 GDAA CCc1nc(CC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)cs1 328628523 NTXYYDXIWGPQRD-CQSZACIVSA-N 382.511 1.463 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(-n2cnc(C)c2C)n1 72115582 GONBFEGCRRWKGS-UHFFFAOYSA-N 386.481 1.978 0 50 GDAA Cc1nc(C)c(CC(=O)N[C@H]2CCCN(C3Cc4ccccc4C3)C2)c(=O)[nH]1 72129463 HBNPVXQMXAVEGB-SFHVURJKSA-N 380.492 1.677 0 50 GDAA Cc1c(C(=O)N2CC[C@@H](N3CCNCC3)C2)nnn1-c1cccc2cnccc12 261977350 CEARXCPOYMXGMI-QGZVFWFLSA-N 391.479 1.244 0 50 GDAA COc1ccc2c(c1)OC[C@H](NC(=O)CN1CCN(c3ccccn3)CC1)C2 371317022 MQQSLEMJLOKAKI-QGZVFWFLSA-N 382.464 1.332 0 50 GDAA CN(C)c1ncc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 71735953 HDJZYYSVGDUBQW-QGZVFWFLSA-N 386.544 1.498 0 50 GDAA Cc1nc(S(=O)(=O)N2CCN(Cc3cccc(C(C)C)n3)CC2)cn1C 131754166 YPQPNCMLKKNTCT-UHFFFAOYSA-N 377.514 1.753 0 50 GDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 218880931 SPDGZPPDNGBFRC-KRWDZBQOSA-N 377.466 1.533 0 50 GDAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1cn(CCN2CCOCC2)nn1 19787311 GZUSZNIJTPCMEG-CQSZACIVSA-N 384.362 1.039 0 50 GDAA CCc1cc(N2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)ncn1 222870563 NKSBBWBNYARJNE-UHFFFAOYSA-N 381.480 1.838 0 50 GDAA Cc1ccn2cc(C(=O)N3CCn4nc(CNc5ncccn5)cc4C3)nc2c1 426701577 ICBMDZUAPRSTDW-UHFFFAOYSA-N 388.435 1.897 0 50 GDAA O=C1CN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CCN1Cc1ccccc1 95508888 HDVXCBMFBBXONB-LJQANCHMSA-N 392.459 1.301 0 50 GDAA NC(=O)Cn1ccnc1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 96179656 NQWWNFNYCDMBMT-UHFFFAOYSA-N 382.873 1.590 0 50 GDAA O=C(NCCSc1ncn[nH]1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 91964638 CGYRXJJHJXOJSX-ZDUSSCGKSA-N 377.445 1.591 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)NC[C@H]3COCCN(C)C3)cc2)CC1 96130970 WBYUEZDECVHNHP-MRXNPFEDSA-N 376.501 1.859 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccnc3ccccc23)C1 252549994 RYTRJMRFVFUATQ-OKILXGFUSA-N 381.436 1.641 0 50 GDAA CCOc1ccc(C[C@H](CNC(=O)[C@@H]2CSCN2C(C)=O)C(=O)O)cc1 299748353 HBEWGQRRMTZEQW-ZBFHGGJFSA-N 380.466 1.366 0 50 GDAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCn4cncn4)CC3)cc2)n1 607042794 NDRAYWSGAVQDOS-UHFFFAOYSA-N 393.495 1.598 0 50 GDAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 299782631 NGHYYXFTVWBOBJ-CYBMUJFWSA-N 380.445 1.542 0 50 GDAA CCNC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299782672 GNCJXXGSNWYAOV-GOSISDBHSA-N 393.459 1.032 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 670472039 GEBCVJWCNRHQHI-NSHDSACASA-N 385.511 1.177 0 50 GDAA O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NN1CCOC1=O 862703079 JGKSTRSJBOBSEO-UHFFFAOYSA-N 388.449 1.673 0 50 GDAA Cc1cc(=NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[nH]n1Cc1ccccc1 1875296525 BLLZVNRMXYHKSK-QGZVFWFLSA-N 382.468 1.730 0 50 GDAA COCc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)o1 1875396851 FUHFCEWYLYCMJZ-OAHLLOKOSA-N 387.484 1.903 0 50 GDAA Cn1nc(C(=O)NC[C@@H]2CCCN(c3nc(C(N)=O)cs3)C2)c2ccccc21 952985994 VKZCCAOJEGKWOL-LBPRGKRZSA-N 398.492 1.775 0 50 GDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)n1 952964181 BRXCFVRXTPTVCZ-HNNXBMFYSA-N 397.439 1.816 0 50 GDAA O=C(Cn1cnc2sccc2c1=O)N[C@H]1C[C@@]2(CCNC2)Oc2ccccc21 1342235621 QIYZTMQPGMHQTQ-MGPUTAFESA-N 396.472 1.830 0 50 GDAA O=C(c1cnc2sccn2c1=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565511725 BRIBFYTXDXZWCP-HIFRSBDPSA-N 388.493 1.471 0 50 GDAA CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N3CCS(=O)(=O)CC3)c1)C2 1565506526 RUIHUMXGPUXOPZ-YJBOKZPZSA-N 377.510 1.088 0 50 GDAA Cc1ccccc1C1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 276550155 QDHAQNHXIQJEPY-GOSISDBHSA-N 385.508 1.466 0 50 GDAA CCC[C@H]1C[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 225430936 JZXACBXATPZMOG-YJBOKZPZSA-N 393.509 1.458 0 50 GDAA O=C(NC[C@H](O)c1cccnc1)c1cc(Cn2cc(Br)cn2)on1 752130708 GDTYREJLLIEFOR-AWEZNQCLSA-N 392.213 1.540 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)OC[C@H]2CN(c3ccccc3)C(=O)O2)cc1 771941528 SZLKNOHMKXQCMF-CQSZACIVSA-N 376.390 1.516 0 50 GDAA CN(C[C@@H]1CCN(c2ccccc2)C1)S(=O)(=O)N1CCC(C(=O)O)CC1 1506402011 IATRTNSHOUPABZ-HNNXBMFYSA-N 381.498 1.486 0 50 GDAA CN1CCC(n2nccc2NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1506420531 HOFUYKIPMOWHGS-UHFFFAOYSA-N 397.479 1.875 0 50 GDAA CCOCc1cc(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)ccc1OC 1614302288 DCSUEYQNICNNEO-PMACEKPBSA-N 378.513 1.624 0 50 GDAA O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)NCc1ccco1 975928 YMFGGTJOZMRNAC-GZTJUZNOSA-N 397.456 1.050 0 50 GDAA COCCNc1ncnc2sc(C(=O)N3CCC[C@H]3C(=O)OC)c(C)c12 11868937 RLTKDORDYUVRAU-NSHDSACASA-N 378.454 1.836 0 50 GDAA O=C1CN(Cc2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)CCN1 11933053 CQIOJHIYJPOBHC-OAQYLSRUSA-N 395.503 1.416 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N(C)CC[C@@H](O)c2ccccc2)CC1 12582745 ZKUZEZSUEWDGSN-GOSISDBHSA-N 386.500 1.487 0 50 GDAA COc1ccccc1/C=C/CN1CCC[C@@H](n2cc(C(=O)NCCCO)nn2)C1 14951102 PYQXNIWCKNASQF-SBLNNXNXSA-N 399.495 1.749 0 50 GDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1cn[nH]c1 15066679 DYPZIIPHMFPMHK-SFHVURJKSA-N 399.495 1.200 0 50 GDAA NC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1 206235755 IVNZXAJUHBSPKE-MRXNPFEDSA-N 380.404 1.277 0 50 GDAA CCS(=O)(=O)N1C[C@@H](C(=O)O)C2(CCN(C(=O)CC3=CCCC3)CC2)C1 1857693053 GGRALKBDYKTDQP-HNNXBMFYSA-N 384.498 1.462 0 50 GDAA COc1ccc(CCNC(=O)[C@@]23CCCN(CC(=O)O)[C@H]2CN(C)CC3)cc1 1857694522 DCMVYFINEUIFLD-GHTZIAJQSA-N 389.496 1.225 0 50 GDAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC[C@H](CN2CCOCC2)C1 1857716001 RLBOKAUWEXZELD-CYBMUJFWSA-N 392.880 1.448 0 50 GDAA CCCc1cc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n[nH]1 1857717309 QQEIWJBQKVAIKN-ICSRJNTNSA-N 375.444 1.930 0 50 GDAA COC(=O)Cc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(-c2ccc(F)c(Cl)c2)n1 1857722290 GESJPGKGFWSRLP-CUOATXAZSA-N 382.823 1.731 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCS(=O)(=O)CC1 1857732616 YFUYLQMJVFDRHO-UHFFFAOYSA-N 380.495 1.812 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2cccc3c2CCC3=O)[C@H]1c1cnn(C)c1 1857735088 HICISTORRQBHIR-PMACEKPBSA-N 382.464 1.693 0 50 GDAA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)NCCCC(C)(F)F)C[C@H]1C(F)(F)F 455115946 GROKHWGZICAHMD-NXEZZACHSA-N 395.394 1.886 0 50 GDAA O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NC[C@H]1Cc2ccccc2O1 497662533 BVKAXSMPEUZWMR-GFCCVEGCSA-N 381.392 1.502 0 50 GDAA O=C(CCOc1ccccc1)N[C@@H]1CCC[C@@H](CN2CCS(=O)(=O)CC2)C1 2100544755 IHRVKGYKLFNZOQ-QZTJIDSGSA-N 394.537 1.861 0 50 GDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCc2c(O)cccc2C1 2100556733 QWACGUGJSSTPAY-RTWAWAEBSA-N 393.443 1.803 0 50 GDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2ccc(F)cn2)C1 2325751216 ODNVNGGTHHMTKQ-MEDUHNTESA-N 376.413 1.267 0 50 GDAA NCc1nc(C2CCN(C(=O)Cc3ccn(-c4ccc(F)cc4)n3)CC2)n[nH]1 2325753667 VWEZNRFGXYKESX-UHFFFAOYSA-N 383.431 1.537 0 50 GDAA CN(C)c1nc(Oc2ccc(=O)n(CCOc3ccccc3)n2)nc(N(C)C)n1 4867482 ZXDZAQNUFZZFBG-UHFFFAOYSA-N 397.439 1.432 0 50 GDAA NC(=O)CNC(=O)c1ccc([C@@H]2CCCN2C2CSCCSC2)s1 23339761 CLHHTEDNFGTEFY-LBPRGKRZSA-N 385.580 1.949 0 50 GDAA Cc1nc2ncccn2c1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65466472 KGPCFRCPYHMJQC-LSDHHAIUSA-N 380.404 1.757 0 50 GDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1ccccc1-c1nccn1C)CC2 65407487 NBFUTCMOJLGEBG-UHFFFAOYSA-N 377.448 1.730 0 50 GDAA CN(C)CC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCCN2CCOCC2)s1 23619440 ORVODCGEHDQZLH-OAHLLOKOSA-N 394.541 1.035 0 50 GDAA 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CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CSCN2C(C)=O)C(=O)O)cc1 299748352 HBEWGQRRMTZEQW-HOCLYGCPSA-N 380.466 1.366 0 50 GDAA CO[C@@H](CS(=O)(=O)Nc1ccccc1C(=O)N[C@H]1CC[C@H](O)CC1)C1CC1 864097452 TTYAXVCSKVEWJO-MPGHIAIKSA-N 396.509 1.887 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCCO2 266337937 LNKBKBROEIJBCL-AWEZNQCLSA-N 391.449 1.883 0 50 GDAA CCCn1cc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cn1 823033438 VKNSIVBMJYQYAH-KRWDZBQOSA-N 379.486 1.040 0 50 GDAA CCN(C(=O)c1cccc(-c2cc(C)nnc2O)c1)[C@H]1CCS(=O)(=O)C1 584899387 GFXCCIICGIBDJV-HNNXBMFYSA-N 375.450 1.807 0 50 GDAA CCOc1cc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)ccn1 1875358440 WHFBHVNPKLAKID-LJQANCHMSA-N 393.407 1.423 0 50 GDAA O=C(CCCn1ccccc1=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403460 UKMXDARTUNGGHC-NUEKZKHPSA-N 378.860 1.434 0 50 GDAA Cc1cc(NC(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@@H]4C3)C2)cn2ccnc12 886071769 HGWOYPWITHYWSH-BPQIPLTHSA-N 396.495 1.992 0 50 GDAA 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1.184 0 50 GDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2cc[nH]n2)c2ccccc2)C(=O)C1=O 77524122 LZYDAOFXCCJDJC-SFHVURJKSA-N 397.479 1.580 0 50 GDAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 35877335 LGLIYVKIVKFLQB-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA COc1cc(OC)nc(N2CC[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)n1 72419479 QNKZBKLHDTWUAA-FQEVSTJZSA-N 383.452 1.908 0 50 GDAA Cc1cc(C)cc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72454384 DIJHIMMIONUKOA-SJORKVTESA-N 378.494 1.409 0 50 GDAA COc1cc(CCNC(=O)N2CCC[C@]3(CCC(=O)NC3)C2)cc(OC)c1 426508108 PKBLTKBILMGPRW-HXUWFJFHSA-N 375.469 1.948 0 50 GDAA C[C@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1nnn[nH]1 95504348 MGBPEJVADFJMRV-LBPRGKRZSA-N 384.440 1.471 0 50 GDAA COCCn1cnnc1CNC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 426392634 ALYOKAZMVUJXFG-UHFFFAOYSA-N 380.836 1.601 0 50 GDAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)CC2)n1 97759477 IHBYJZQSSXDFML-GOSISDBHSA-N 381.480 1.840 0 50 GDAA COc1cccc(CN(C)CC2CCC2)c1OC[C@@H](O)CN1CCOCC1 95497277 RHVVOZSJITWFPZ-IBGZPJMESA-N 378.513 1.999 0 50 GDAA CCNc1ncc(CN2CCC(c3nnc(Cn4cncn4)n3CC)CC2)cn1 91906923 ROCNTKVHJNCCKP-UHFFFAOYSA-N 396.503 1.539 0 50 GDAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc(S(N)(=O)=O)c1C 95525982 PHGFYVBLMGWJAX-CQSZACIVSA-N 376.482 1.704 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ncoc3C)C2)cc1 95520809 DMFLAJXYDXWCRM-AWEZNQCLSA-N 393.465 1.822 0 50 GDAA CC(C)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1NS(=O)(=O)N(C)C 95512555 RPKODUNTQUESNA-GOEBONIOSA-N 381.502 1.522 0 50 GDAA O=C(NCCSc1cn[nH]n1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 91736223 BGSPEGCMVMVBKR-ZDUSSCGKSA-N 377.445 1.591 0 50 GDAA CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)on1 95365860 DDMVRRIWWRJMQQ-DZGCQCFKSA-N 384.502 1.216 0 50 GDAA CC(C)c1nccn1[C@@H](C)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 95507223 MBSOLOSDYPMTHK-HNNXBMFYSA-N 377.489 1.600 0 50 GDAA C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 247960377 DJNALDHRHLLAGB-XSWJXKHESA-N 387.480 1.213 0 50 GDAA biogenic CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 252536857 JRJUXEVMKXARBI-WOVMCDHWSA-N 380.452 1.711 0 50 GDAA CCSc1nnc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)n1C 299779183 SSLKQVVKKNJEKF-SNVBAGLBSA-N 386.499 1.984 0 50 GDAA COCCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299775259 HPPCSELFCRCWQA-LJQANCHMSA-N 380.460 1.933 0 50 GDAA Cc1nn(Cc2ccc(S(=O)(=O)N(C)C)s2)c(C)c1[C@@H]1COCCN1C 952893280 IMAOLORCMCZSMY-HNNXBMFYSA-N 398.554 1.863 0 50 GDAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3cc(OCC4CC4)c4ccccc4n3)C2)N1 1875265479 MCSHAZROOKVCOZ-NRFANRHFSA-N 394.431 1.838 0 50 GDAA Cc1c(S(=O)(=O)N[C@H]2C[C@H](N)C23CCOCC3)cnn1-c1ccc(F)cc1 1875283829 DHYYSQLFWFTNPL-IRXDYDNUSA-N 394.472 1.495 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccc3cnnn3c2)N1Cc1ccccc1 1875396603 OFLWYZDTGSHOCL-IERDGZPVSA-N 395.463 1.111 0 50 GDAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cc(O)n3nccc3n2)cc1 1875302506 SWHQJUBVWVRYER-MRXNPFEDSA-N 379.420 1.551 0 50 GDAA CN(C(=O)c1cc(S(N)(=O)=O)ccn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1875339184 CKRQGWBPIFCZHC-GFCCVEGCSA-N 398.485 1.201 0 50 GDAA C[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CCn1cccnc1=O)C2)c1ccccc1 1875317292 UFXFAHZFQJGTLX-KUDFPVQQSA-N 380.448 1.154 0 50 GDAA Nc1nccc(C2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)CC2)n1 952964395 NTTUHQPTJRZUHT-MRXNPFEDSA-N 380.452 1.209 0 50 GDAA Cc1cc(C)n(CCC(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)n1 1565516569 HLVYVULPUZIJKM-ROUUACIJSA-N 376.457 1.985 0 50 GDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1565505976 RFZIXYIVXAZMEX-YWZLYKJASA-N 385.420 1.451 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCO1 275600214 HXLJDWTYLMXBQQ-RBUKOAKNSA-N 389.496 1.142 0 50 GDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N3CCC[C@H](O)C3)c2)n1 408525160 NUFRPRAWIMRHKD-AWEZNQCLSA-N 376.438 1.183 0 50 GDAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cn1 1529120883 RJGFRFTYTJTNIZ-IEBWSBKVSA-N 388.420 1.682 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529191958 KWEGHDMYYSWFMX-APWZRJJASA-N 378.432 1.556 0 50 GDAA O=C(c1cncc(N2CCN(c3ncccc3Cl)CC2)n1)N1CCOCC1 1529142168 GKLVZIQZYXZKPB-UHFFFAOYSA-N 388.859 1.324 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704280208 UNDMHAYGWNKDEF-NVXWUHKLSA-N 394.435 1.306 0 50 GDAA COc1ccccc1CN1C(=O)O[C@H]2CN(S(=O)(=O)N3CCCC3)C[C@H]21 208257792 BCSXSMIIXURQIT-ZBFHGGJFSA-N 381.454 1.041 0 50 GDAA O=C(Cn1nc2ccccc2n1)N1CCCN(C(=O)NCc2cccs2)CC1 1772815123 JISFJXWCZWUJDB-UHFFFAOYSA-N 398.492 1.937 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 11818257 UMIOEBQHMLLZNA-LJQANCHMSA-N 388.512 1.553 0 50 GDAA CCOC[C@H](O)CNC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 11933035 MUYDHXCQCFXYFG-OAHLLOKOSA-N 398.887 1.857 0 50 GDAA O=C(CCC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1 11933764 ZFYKJGVJAZYRIK-KRWDZBQOSA-N 398.507 1.728 0 50 GDAA O=C1NCCN(c2nc3nonc3nc2N2CCCCC2)[C@H]1Cc1ccccc1 12314259 GBPBDKQZTOFEKL-HNNXBMFYSA-N 393.451 1.551 0 50 GDAA CCOC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)o1 12758669 AGHRMXYCJJBTAD-AWEZNQCLSA-N 379.457 1.309 0 50 GDAA Cn1cc(CN2CCN3C(=O)[C@H]4CCCN4C(=O)[C@H]3C2)c(-c2ccccc2)n1 14530476 JHGSFAFREJDNFU-QZTJIDSGSA-N 379.464 1.105 0 50 GDAA O[C@H]1CCCN(CCCNc2nc3nonc3nc2N2CCCCCC2)C1 14972419 RBTVUKPVRISQHX-AWEZNQCLSA-N 375.477 1.652 0 50 GDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1(Cn2cnnn2)CCCCC1 1857525727 NOWDVUGJBZGLBL-GOSISDBHSA-N 396.495 1.713 0 50 GDAA Cn1cc([C@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c34)C[C@@H]2N)cn1 1857531142 VRZFXOWZXVSEQF-OLZOCXBDSA-N 389.257 1.626 0 50 GDAA Cc1nonc1OCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)CCO2 1857683667 LPFGGLUHIDYZTP-HOTGVXAUSA-N 398.419 1.207 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]12)c1ccccc1 1857693764 LHPYRCLLVIJUBN-HBMCJLEFSA-N 396.512 1.681 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)N1 1857737074 VYNDWPKDFUDPQS-INIZCTEOSA-N 392.459 1.934 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)c2ccc(OC)c(OCCCN)c2)CC[C@@H]1O 1857737607 UXCQKPFMSFLXBO-ICSRJNTNSA-N 380.485 1.408 0 50 GDAA CN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)CCc3ccc4c(c3)OCO4)C2)CC1 215404659 KFCFWBAPWLUKBY-SJORKVTESA-N 387.480 1.407 0 50 GDAA CS(=O)(=O)NC1CCC(NC(=O)N[C@H]2CCCc3c(O)cccc32)CC1 2325741792 AAUUBYBJRARKMB-ZUEPYMLJSA-N 381.498 1.929 0 50 GDAA O=C(COCC(F)(F)F)NCC1(NC(=O)c2cccc(-n3cccn3)n2)CC1 2325828513 JCNJGRIXVMBANO-UHFFFAOYSA-N 397.357 1.225 0 50 GDAA CN1CCN(Cc2nc(C(=O)N[C@]3(CO)CCCC(C)(C)C3)cs2)CC1 2325828924 VSEIKGQSXFWTKJ-LJQANCHMSA-N 380.558 1.952 0 50 GDAA Cc1cc(Br)cc2cc(CNS(=O)(=O)c3cnc(=N)[nH]c3)[nH]c12 2325851698 GSURUKUGLNAUIC-UHFFFAOYSA-N 396.270 1.920 0 50 GDAA COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1 2748318 MTQOEZSVHQRDNF-UHFFFAOYSA-N 388.420 1.881 0 50 GDAA CCC[C@@]1(CO)CN(Cc2cc3c(nc2OC)CN(C(C)C)C3=O)CC[C@H]1O 2356163268 VPXXVBKAOYVRJY-NQIIRXRSSA-N 391.512 1.800 0 50 GDAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc(-n3cccn3)ccc1OC)C2 2356167262 LITSHNAVRWHGJS-KSSFIOAISA-N 393.465 1.164 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Br)cc1 4142324 UHWJQNAJTAMMIE-CFAJVAMVSA-N 399.237 1.835 0 50 GDAA COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 8657302 XAZANCBNJSVJSC-ZDUSSCGKSA-N 399.451 1.076 0 50 GDAA O=C1CCc2cc(OC[C@H](O)CN3CC[C@@](CO)(c4ccccc4)C3)ccc2N1 419269361 BLJCBXBBANHBII-AUSIDOKSSA-N 396.487 1.947 0 50 GDAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 104313596 RAFNPBWVCMXROC-PSJNWGMYSA-N 379.412 1.856 0 50 GDAA C[C@@]1(O)CCCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1 67769816 BFFBGGYHZCTDJX-OAQYLSRUSA-N 388.512 1.370 0 50 GDAA CN(CCN1CCOCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 20907270 KGHLVKOKFSVUKF-QGZVFWFLSA-N 393.915 1.869 0 50 GDAA COc1cc(CN2CCN(Cc3cnn(C)c3C)C[C@@H]2CCO)cc(OC)c1 23373640 RMUHFCIYLIWCND-IBGZPJMESA-N 388.512 1.815 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)NCCOc1ccc(C(F)(F)F)cn1)CC2 119838171 RGXNPSAPHYJLCR-UHFFFAOYSA-N 397.357 1.341 0 50 GDAA COc1ccc(CC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1OC 67879576 GTGIIUDSFHGZSI-UHFFFAOYSA-N 375.513 1.875 0 50 GDAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@H](N(C)CCN(C)C)C1 72172817 ARRIYIVUHPIHLP-SFHVURJKSA-N 388.560 1.873 0 50 GDAA O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CN1Cc1ccccn1 119765284 FACYFVBICZDDHY-HNNXBMFYSA-N 382.420 1.008 0 50 GDAA NC(=O)NCCN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72150745 OOCOYFYGAPUVSK-QGZVFWFLSA-N 399.461 1.960 0 50 GDAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1C[C@H](c2ccsc2)[C@@H](CO)C1 328611968 NHMWJPNTGBHJFJ-IIAWOOMASA-N 383.495 1.303 0 50 GDAA CN(C)Cc1nc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cs1 65388110 LHBUDLPDLRFZOO-DZGCQCFKSA-N 389.477 1.924 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 33318367 HCKQSTOGZAABBA-UHFFFAOYSA-N 375.498 1.670 0 50 GDAA Cc1nn(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1Cl 5677826 FFUZGNBOYRTEKA-UHFFFAOYSA-N 398.872 1.655 0 50 GDAA CCC(=O)N1CCC2(CC1)CN(CCCN1CCN(C(C)C)CC1)C(=O)O2 77566027 OPSSWUASTIACRE-UHFFFAOYSA-N 380.533 1.626 0 50 GDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77488037 JYFRNBRCSLQQRS-OOSNJVJTSA-N 397.406 1.754 0 50 GDAA O=C(N1CCc2c(cnn2-c2ccccc2)C1)C1(n2cccn2)CCNCC1 262051358 ZRICRYDEJIHHCC-UHFFFAOYSA-N 376.464 1.732 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)CCn1cccn1)NC1Cc2ccccc2C1 72454011 VEAHLOCBKYUQNM-IBGZPJMESA-N 382.464 1.174 0 50 GDAA Cn1cc([C@@H]2CN(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CCO2)cn1 333287626 QSQUBMHSMQLFRW-PBHICJAKSA-N 397.435 1.231 0 50 GDAA CC(C)N1C(=O)c2ccc(C(=O)N3C[C@H](C4CC4)O[C@H](C)C3)cc2S1(=O)=O 376094479 LETCWNWIRZHTPZ-MLGOLLRUSA-N 392.477 1.879 0 50 GDAA O=C([C@@H]1CNCCN1C(=O)c1csc(-c2cccs2)n1)N1CCCC1 72129195 LVGCZAOEVIOSBA-ZDUSSCGKSA-N 376.507 1.908 0 50 GDAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 178119536 BFZPVYMNCXJGKE-CQSZACIVSA-N 375.498 1.646 0 50 GDAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 178274207 WWQQXXDVNFXGSN-GWCFXTLKSA-N 381.226 1.735 0 50 GDAA CCN(C[C@H]1CCN(C)C1)C(=O)c1cccc(N2N=C(C)[C@@](O)(CC)C2=O)c1 220313802 YRPONWNRAIDBEF-KKSFZXQISA-N 386.496 1.964 0 50 GDAA Cc1nc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)nc2c1CCCC2 91770232 SYDMUYWGMZPBLG-UHFFFAOYSA-N 377.448 1.999 0 50 GDAA CC(C)(c1ccccc1)c1nnc(NC(=O)[C@H](N)CCS(C)(=O)=O)s1 236716489 JYKOAFZACXWTEW-GFCCVEGCSA-N 382.511 1.565 0 50 GDAA COc1ccc(C(=O)N2CCC3(CC2)[C@@H](OCCN(C)C)C[C@H]3O)cc1F 91444759 DGPQJCJHGKLACC-MSOLQXFVSA-N 380.460 1.768 0 50 GDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1nnc(-c3cccnc3)o1)CCN2C 91871330 UNZIAHACFNBYHY-FQEVSTJZSA-N 384.484 1.650 0 50 GDAA c1cnn(Cc2nnc(C3CCN(CCCn4cnnn4)CC3)n2C2CC2)c1 96133819 INIRYPODJSMGJA-UHFFFAOYSA-N 382.476 1.114 0 50 GDAA Cn1nc(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)c2c1CCCC2 95501366 COJFBDMUFCZYHX-INIZCTEOSA-N 388.512 1.790 0 50 GDAA COc1ccc([C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)[C@H]2C[C@@H](O)C2)cn1 244659879 HKJSOAPCNXPEDR-IJEWVQPXSA-N 380.470 1.231 0 50 GDAA COc1ccc2c(ccn2CCNC(=O)CCc2nc3nc(C)cc(O)n3n2)c1 252540566 PMZLXFAAWVEHNG-UHFFFAOYSA-N 394.435 1.851 0 50 GDAA CCn1c([C@H]2CCCNC2)nn(CCN2CCN(c3ccccc3)CC2)c1=O 67757109 IJEMPGHGBKIDNW-SFHVURJKSA-N 384.528 1.354 0 50 GDAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc(-c2nccnc2N2CCCC2)c1 299766223 HCFLPHISHVBMIX-INIZCTEOSA-N 384.461 1.784 0 50 GDAA Cc1ncnc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 299757636 LODVVDXHMDBWSS-IBGZPJMESA-N 387.528 1.855 0 50 GDAA Cc1nc(C)c(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)o1 825268480 HLNQZPOHALUANI-CQSZACIVSA-N 378.454 1.517 0 50 GDAA Cc1cnc2c(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cnn2c1 825249275 OKWOFNRGTRZOTB-BAUKFBFWSA-N 378.440 1.502 0 50 GDAA Cc1cc(C)n(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)n1 670472336 SZOFYNQAVHGTCU-UHFFFAOYSA-N 382.461 1.612 0 50 GDAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1c(C)cc(C)c2nonc12 670461341 SJNAWUFLNHVARQ-LLVKDONJSA-N 380.430 1.117 0 50 GDAA Cc1ccc(C(C)(C)NC(=O)[C@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cn1 1875393135 HHCHPXGCTTXZOW-MRXNPFEDSA-N 391.497 1.034 0 50 GDAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCc1ncc2c(n1)CCOC2 1875395738 KMMABMNRPHSVIM-ONTRVFCTSA-N 397.479 1.376 0 50 GDAA C=CC(=O)N[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CC[C@@H]1c1ccc(F)cc1 1875383295 NXXASUDZQBWYNE-WBVHZDCISA-N 386.427 1.421 0 50 GDAA Cc1nc(C(N)=O)nc(N2CC[C@@H](NCc3ccc4c(c3)COCC4)C2)c1C 1875397193 PCKPUWQQTVHBPG-GOSISDBHSA-N 381.480 1.634 0 50 GDAA NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2Cc2cc3ccccc3o2)C1 1875312422 BQRGRCOWAUVLHY-CVEARBPZSA-N 391.493 1.882 0 50 GDAA O=C1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2C(=O)OCc2ccccc2)CCN1 1875301804 VQVQNWZXUJZJLU-GJZGRUSLSA-N 395.406 1.818 0 50 GDAA Cn1cnnc1SCC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 952966230 FEBRLIHCYOBNEU-ZDUSSCGKSA-N 385.453 1.758 0 50 GDAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1nnc(O)c2ccccc12 952873685 MWKWTESJCMELBF-KRWDZBQOSA-N 379.420 1.534 0 50 GDAA OCC1(CO)CC(n2cnc3c(N4CCC([C@@H]5CCCO5)CC4)ncnc32)C1 888097775 ONAUSBLYOHHQIX-INIZCTEOSA-N 387.484 1.528 0 50 GDAA O=C(C1CCS(=O)(=O)CC1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565527839 WGXOMEPSWZCKQP-MJGOQNOKSA-N 376.522 1.934 0 50 GDAA CC(C)c1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)CCO2)o1 275287320 LDKLCGYVIHHWJS-HNNXBMFYSA-N 379.438 1.890 0 50 GDAA CN(C)CCN(CC(=O)O)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170675796 KPLHRQRUPIGDPT-UHFFFAOYSA-N 386.330 1.844 0 50 GDAA CCn1c(CN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)nc2c(F)cccc21 279392754 YVNQEKZRVNFMQJ-MRXNPFEDSA-N 391.472 1.901 0 50 GDAA O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)ccc2[nH]1 194058484 OKJDTLXGKLMVQZ-SWLSCSKDSA-N 375.381 1.190 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1O 1529161625 NEQSGEJHBKIELT-ROUUACIJSA-N 376.478 1.093 0 50 GDAA O=C(c1ccc(NCCn2ncc3ccccc3c2=O)nc1)N1CCOCC1 1704354135 TXPHUKBADQGWKT-UHFFFAOYSA-N 379.420 1.376 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4cccnc4)no3)C[C@@H]2O)on1 1704353141 ALEMZMKVRKVXOA-WBVHZDCISA-N 397.435 1.813 0 50 GDAA Cc1noc(C)c1C(=O)N1C[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@]2(CO)C1 1772812986 SNNRLAWKQBCTNA-GCJKJVERSA-N 397.475 1.793 0 50 GDAA O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772709751 MKENOVIABDILOO-YJYMSZOUSA-N 393.461 1.890 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 11999646 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CC(=O)c1cnc(NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)s1 2325780557 UJOGFVHTKOHHSG-UHFFFAOYSA-N 386.421 1.619 0 50 GDAA CCOC(=O)c1cnn(C[C@H](O)CN[C@H](CO)c2c(C)cc(C)cc2C)c1 2325804109 VLRRGTOSDKQVQO-QZTJIDSGSA-N 375.469 1.669 0 50 GDAA COc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2)c1 2226064 MKNASCFCXDWJQO-KRWDZBQOSA-N 385.395 1.804 0 50 GDAA COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 2836331 ZUVULRLNJCUBGH-UHFFFAOYSA-N 376.434 1.874 0 50 GDAA O[C@H]1COC2(CCN(c3ccnc(-c4ccc5c(c4)OCO5)c3)CC2)C[C@H]1O 2356144092 JDVRHXKXTKAWBM-MSOLQXFVSA-N 384.432 1.958 0 50 GDAA COC1(CN(C)C)CCN(c2cc(C(=O)N3CCN(C)CC3)ccn2)CC1 2356153773 ULUGNLWDIULVTC-UHFFFAOYSA-N 375.517 1.016 0 50 GDAA O=C(CCn1cnc2ccccc2c1=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356167114 SRVXLBXPEBOTFU-UGKGYDQZSA-N 393.443 1.268 0 50 GDAA CCNC(=O)CN1C(=O)[C@@]2(CCN(C(=O)c3ncoc3C)C2)c2ccccc21 2356170059 SOPIOASUIYBDPB-HXUWFJFHSA-N 382.420 1.250 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 65365034 OHPPYWYABKBZDI-OAHLLOKOSA-N 395.525 1.770 0 50 GDAA Cn1nnnc1SCCC(=O)N(CCCn1ccnc1)Cc1cccnc1 55133666 BIDDIDLFZODJCA-UHFFFAOYSA-N 386.485 1.403 0 50 GDAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CN1CCC(n2cnnc2)CC1 67821606 LMTSUTUNXUKDMZ-HXUWFJFHSA-N 387.459 1.608 0 50 GDAA O=c1[nH]c2ccc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc2[nH]1 249476323 UJAXUWZPLPETCT-WCQYABFASA-N 379.463 1.314 0 50 GDAA Cc1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1NC(=O)c1ccncc1 468700476 SAHRXWWAFKJPSG-UHFFFAOYSA-N 395.419 1.911 0 50 GDAA Cc1cc2nc(C(=O)NCc3cccnc3N3CCN(C)CC3)cc(C)n2n1 67691397 OZWMZOQFCUYSLO-UHFFFAOYSA-N 379.468 1.423 0 50 GDAA Cc1nnc(NC(=O)c2ccc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)cc2)s1 65461637 YSXCAUBYQPMNOD-IRXDYDNUSA-N 387.509 1.740 0 50 GDAA CC(C)NC(=O)c1cn(CCN2CCN(C(=O)CCc3ccccc3)CC2)nn1 23337716 XNDHFCGJZLNDEG-UHFFFAOYSA-N 398.511 1.193 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CN(C)Cc3cnn(C)c3C)C2=O)c1 67967216 BHLDWMFIARNNSX-NRFANRHFSA-N 386.496 1.723 0 50 GDAA NC1CN(C(=O)[C@H]2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 71760761 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CCNC(=O)N1[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N[C@@H]2CCCC[C@H]21 239309960 HYXVAKFIZAAKMH-BRWVUGGUSA-N 388.468 1.865 0 50 GDAA O=C1CCC(CCC(=O)N2CCC[C@@H](CNC(=O)c3cccs3)C2)=NN1 95512479 YAEVBBHNGBRYFA-ZDUSSCGKSA-N 376.482 1.763 0 50 GDAA CC(C)N1CCC2(CC[C@H](CNC(=O)c3ccnc(-n4cnnc4)c3)O2)CC1 97637863 YVVJFWHCEPQEKG-QGZVFWFLSA-N 384.484 1.814 0 50 GDAA O=C(c1ncccc1O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 95520789 XUMYCUHMHUIXCJ-UHFFFAOYSA-N 381.436 1.437 0 50 GDAA COC(=O)[C@@]12C[C@@]3(C(=O)OC)[C@@H]4C[C@@]5(CCC5=O)[C@H]1[C@H]4[C@H]1[C@@H]2C[C@]2(CCC2=O)[C@@H]13 257357960 QZNJWIXIRVWASA-LLZRMCMZSA-N 398.455 1.939 0 50 GDAA O=C1CCc2c1cccc2C(=O)NCC1CCN(C(=O)c2ncc[nH]c2=O)CC1 828177602 WCZYQFSAYVPDQO-UHFFFAOYSA-N 394.431 1.181 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 1875371701 JMDCIOHUMOXFIZ-STQMWFEESA-N 399.417 1.786 0 50 GDAA CN(C)Cc1cc(CN2CCC(c3nccc(N4CCOCC4)n3)CC2)no1 952894135 WXKTWDPJFGNHKR-UHFFFAOYSA-N 386.500 1.742 0 50 GDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc(C)nc(C)n2)CC1 886035986 XVQDKKRUMHCPLN-SJLPKXTDSA-N 384.484 1.736 0 50 GDAA COc1cc(NC(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)ncn1 273031429 YLEDAMWKURGTTH-UHFFFAOYSA-N 385.424 1.792 0 50 GDAA CCC[C@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 225431015 JZXACBXATPZMOG-MAUKXSAKSA-N 393.509 1.458 0 50 GDAA CC(=O)NCCN(CC(=O)NCc1ccc2c(c1)OCO2)C1CCSCC1 225788038 BACKQVTUTQSLGQ-UHFFFAOYSA-N 393.509 1.365 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCCc2ccc(Cl)cc2)C[C@@H]1O 1529197940 ZLSAZCDZFMGUBY-HOCLYGCPSA-N 388.917 1.373 0 50 GDAA Cc1cn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c(=O)nc1O 1704299428 PJOWQLUXPOZRCV-CRAIPNDOSA-N 394.431 1.179 0 50 GDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1CCN(C(=O)c2ccccn2)CC1 1704352306 BUFJWJNXBLEHNR-QUCCMNQESA-N 394.475 1.703 0 50 GDAA CCn1ncnc1CN1C[C@@H]2CN(C3CCSCC3)C[C@@]2(CCC(=O)O)C1 1772813564 HTVDBOLUWODIKF-DNVCBOLYSA-N 393.557 1.792 0 50 GDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(-c2ccccc2)no1 15074473 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GDAA CC1CCN(CC(=O)N[C@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@H]2C)CC1 2325808699 YRXRHXAAVQYEHZ-BEFAXECRSA-N 383.496 1.872 0 50 GDAA COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899966 VVCCZNPCIBQLFZ-UHFFFAOYSA-N 378.425 1.981 0 50 GDAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)c2cccc(=O)n21 2356153776 USXXAMXDUIHTDS-GUTXKFCHSA-N 394.439 1.148 0 50 GDAA CN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7701514 JGFQWOOSOVXQCN-UHFFFAOYSA-N 387.933 1.809 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(=O)n(-c2ccc(F)cc2)n1 118687098 LHCCRFARXWFTPE-MRXNPFEDSA-N 399.403 1.630 0 50 GDAA CC[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C[C@@H](CC)O1 421274081 QOGGTZYNLQTLOX-TXEJJXNPSA-N 392.408 1.556 0 50 GDAA COC(=O)C1CCC(C(=O)NC[C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@H]2O)CC1 252537269 KVQIDVGKVZVYFY-MTERUZRBSA-N 383.485 1.811 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3nc(C)cnc3C)CC2)C1 71746607 GUXMRRMMIDDMQV-QGZVFWFLSA-N 375.517 1.537 0 50 GDAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)[C@@H]1CSCN1C(=O)C1CCC1 332875895 HICVLGWAORRHAI-YOEHRIQHSA-N 381.542 1.305 0 50 GDAA O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1 333458276 PADBXSWMLJGJGS-MRXNPFEDSA-N 378.498 1.992 0 50 GDAA Cn1nnc(-c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)cc2)n1 215949692 IZHYHFXWPDMJGC-HNNXBMFYSA-N 380.408 1.505 0 50 GDAA Cc1nn(C)c2nc(-c3ccccn3)nc(NCCSc3nnnn3C)c12 72407847 KQQZDNRUWCVIKK-UHFFFAOYSA-N 382.457 1.461 0 50 GDAA CNCCCC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 262648661 UCRQWRKIBUBJJR-UHFFFAOYSA-N 383.499 1.246 0 50 GDAA NCCCOC1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 237849872 SUOCBDHABKDEAS-UHFFFAOYSA-N 380.876 1.840 0 50 GDAA COc1ccc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cc1N1CCOCC1 72149838 NCBDDRJUFGTBHG-FQEVSTJZSA-N 389.452 1.637 0 50 GDAA CC(C)CN1CCN(C(=O)c2ccc3c(c2)CCO3)[C@H]2CS(=O)(=O)C[C@H]21 77425057 OFDWDARPFZGTFA-SJORKVTESA-N 378.494 1.201 0 50 GDAA O=C(NCCc1nnc2n1CCCCC2)N1CCC(OC[C@H]2CCCO2)CC1 175335816 CWMHRRWHOBSDTD-QGZVFWFLSA-N 391.516 1.917 0 50 GDAA O=C(NCCNC(=O)c1cccnc1)NC[C@H]1CCN(Cc2ccccc2)C1 194013353 GOJJDINYPIHEQK-GOSISDBHSA-N 381.480 1.633 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc1 220239558 IAERJWLNQCMOGZ-SFHVURJKSA-N 378.498 1.381 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC13CCCC3)CC2 95505109 RVPDONNMMMAXHZ-OAHLLOKOSA-N 386.496 1.839 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](c2nnc3ccccn23)C1 91713839 QWRCIKSEVRQRMI-OAHLLOKOSA-N 388.431 1.845 0 50 GDAA O=C(c1ccsc1)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 95526916 DPTVPCWLGIOOCY-CVEARBPZSA-N 377.491 1.267 0 50 GDAA Cc1ccc(-c2ccc(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)cc2)o1 97743664 NWXAPVYUTVTSPH-INIZCTEOSA-N 378.450 1.645 0 50 GDAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 95522113 BSTQJVDKDWRCIN-INIZCTEOSA-N 383.452 1.975 0 50 GDAA O=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccc2[nH]ccc2c1 1940196116 LMXLHIQVANJNEM-WDSOQIARSA-N 385.464 1.580 0 50 GDAA COC(=O)[C@@H]1CCCCN1C(=O)c1cc(N)cc(S(=O)(=O)N2CCCC2)c1 299779860 LHTBAAXNGHOBIY-INIZCTEOSA-N 395.481 1.221 0 50 GDAA O=C(COc1cccc(-n2cnnn2)c1)NCc1nncn1C1CCCCC1 828032059 MGPQWMBGIMMTMO-UHFFFAOYSA-N 382.428 1.454 0 50 GDAA C=CC(=O)N(Cc1cn(C)nc1I)[C@H]1CCCC[C@@H]1O 1875325338 VYRCYBSRQZYDBM-RYUDHWBXSA-N 389.237 1.843 0 50 GDAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1[C@@H]2C[C@H]1CN2 1875315375 RICSVVQBUBXLKW-VNVHMNPZSA-N 389.463 1.702 0 50 GDAA Cn1cc(-c2noc([C@H]3CCc4nnn(C5CCCC5)c4C3)n2)c(=O)n(C)c1=O 952891908 AOTWGYAPGWILSU-NSHDSACASA-N 397.439 1.113 0 50 GDAA COc1ccc(NC(=O)C(C)C)c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 952970602 AWONKZLHOPJGPO-ZDUSSCGKSA-N 397.497 1.347 0 50 GDAA Cc1ccc(-n2ncc(C(=O)N3[C@H]4CCO[C@H]4C[C@@H]3C(=O)N(C)C)c2C)cc1 1775960966 MLQQAAZWSZODBR-OTWHNJEPSA-N 382.464 1.949 0 50 GDAA COc1cc(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)ccc1C 1318293933 QMACCLZRPKGSPZ-UHFFFAOYSA-N 397.479 1.401 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2nn3cc(C)nc3s2)[C@@H]1c1cnn(C)c1 275325689 PTNDWTOQWLEAMF-SWLSCSKDSA-N 389.485 1.481 0 50 GDAA COc1ccnc(N2CCN(CCc3c(C)nc4ccccn4c3=O)CC2)n1 225847020 QKSUCGQUZULZNM-UHFFFAOYSA-N 380.452 1.166 0 50 GDAA Cc1ncnc(N2CCN(c3cc(C(=O)N4CCOCC4)ccn3)CC2)c1C 1529103439 BPACANZYIDUQLI-UHFFFAOYSA-N 382.468 1.287 0 50 GDAA O=C1CCC(CCC(=O)N2CCCN(C(=O)c3ccc(Cl)o3)CC2)=NN1 1772711188 WLGRUUULCHAHLB-UHFFFAOYSA-N 380.832 1.654 0 50 GDAA COc1cc(N2CC[C@@]3(C2)Cn2c(nnc2-c2sccc2C)CO3)nc(N)n1 1772810973 MNNVWHQIMKPIBG-GOSISDBHSA-N 399.480 1.875 0 50 GDAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)c(OC)n1 11934959 JNFPYNDAZYXQOW-OAHLLOKOSA-N 391.468 1.590 0 50 GDAA Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1Cc1ccccc1 13540487 ZJMLBEOWGKTFAI-UHFFFAOYSA-N 381.436 1.197 0 50 GDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14748646 YFOCFRSAJYJTJE-GLQYFDAESA-N 379.844 1.896 0 50 GDAA CCOC(=O)N1CCC(N2CCC[C@@H](N3CCN(C(=O)OCC)CC3)C2)CC1 19228692 KPNIPIYLZSPUNF-GOSISDBHSA-N 396.532 1.846 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncncc3Cl)C2)c1C 1857531354 MIKKBTMERTUAOI-GFCCVEGCSA-N 375.864 1.929 0 50 GDAA Cc1oc(-c2cccs2)nc1CN1C[C@@H]2COC[C@]2(C(=O)NCCCO)C1 1857681210 CILUSOIJBVWSQN-AUUYWEPGSA-N 391.493 1.659 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@H](C(N)=O)C(C)C)cc12 1857681911 DQJRBJIBSYUSTB-INIZCTEOSA-N 393.509 1.398 0 50 GDAA Cc1c(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cnn1C 1857697449 AOYSNGSIGXMHBQ-UHOSZYNNSA-N 375.494 1.875 0 50 GDAA Cc1cnc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)nc1N(C)C 1857741507 WAKBMKWFZCXTNH-ROUUACIJSA-N 381.480 1.857 0 50 GDAA COc1cccc(C(=O)N[C@H]2CC[C@H](C(=O)NC3CCOCC3)C[C@@H]2OC)c1 1875251059 ULFVDRRFISGECM-SNRMKQJTSA-N 390.480 1.904 0 50 GDAA CCNS(=O)(=O)[C@@H]1CCN(c2cc(N[C@@H]3CCCO[C@H]3C(C)C)ncn2)C1 328632621 LLRQPVDOVNHTFU-RKVPGOIHSA-N 397.545 1.610 0 50 GDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 237636361 WESYXKXCIUPVJY-VHSXEESVSA-N 391.287 1.721 0 50 GDAA O=C(O)[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 238071269 IEDPMPRVASEMHY-JTQLQIEISA-N 394.225 1.482 0 50 GDAA O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCN(C(=O)C2CC2)C1 158605034 CLODGCSKSMHWFV-NJDAHSKKSA-N 399.535 1.634 0 50 GDAA O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1 36087769 GYVBZOQBDVVLNE-UHFFFAOYSA-N 398.504 1.503 0 50 GDAA CS(=O)(=O)N1CCO[C@@H]2CC[C@H](C(=O)NC3Cc4ccccc4C3)C[C@H]21 2100482891 FHVVTQRXNLMIDP-CGTJXYLNSA-N 378.494 1.099 0 50 GDAA CC(=O)NCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4C[C@H]4CC3)C[C@@H]21 2325794654 LVWDMPPFZCHOBG-FLHHHQDGSA-N 375.513 1.548 0 50 GDAA COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)c1ccc3ccccn13)CC2 2356139785 XTGYUYMKDRABDB-UHFFFAOYSA-N 381.388 1.292 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356144226 NQAUPWJWNKWMHZ-LJQANCHMSA-N 391.493 1.402 0 50 GDAA Cn1cc(NC(=O)CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cn1 2356149226 PPIZTYJHCOUJFW-ZWOKBUDYSA-N 389.500 1.119 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1cccnc1 55245286 KEMCUIXBRJYPPW-KRWDZBQOSA-N 390.846 1.881 0 50 GDAA COCCn1c(CN2CCOCC2)cnc1S(=O)(=O)CC1CCCCC1 20256188 QSXIKOCULZRJLI-UHFFFAOYSA-N 385.530 1.716 0 50 GDAA Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCOCC3)n2C)cc1 10338805 LGDFTMJEGQMKFL-UHFFFAOYSA-N 389.481 1.256 0 50 GDAA CCCCN1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 20018270 VRHDIVFRIJLJEH-KRWDZBQOSA-N 387.480 1.708 0 50 GDAA Cn1cc(CCNCc2ccccc2OC[C@@H](O)CN2CCSCC2)cn1 20451672 FCOSMXADVILCBL-IBGZPJMESA-N 390.553 1.541 0 50 GDAA O=C(Cn1nnnc1CN1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 23337586 DWBWJZAJOLDZHN-UHFFFAOYSA-N 394.479 1.093 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cnn(C(C)C)c3)CC2)C1 67790186 FNWAGYWRMCWWTH-LJQANCHMSA-N 391.560 1.903 0 50 GDAA O=C(O)c1c(S(=O)(=O)NCc2ccc3c(c2)OCO3)sc2c1CCNC2 67640938 MQMXATHDJFNQNI-UHFFFAOYSA-N 396.446 1.299 0 50 GDAA COc1ccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1OC 65362688 MGHYDAVPJQOULE-CYBMUJFWSA-N 399.513 1.069 0 50 GDAA O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@H](c2nn[nH]n2)C1 155486003 FEHRCGRTGNCHAL-JQWIXIFHSA-N 376.367 1.237 0 50 GDAA CC(=O)N1CCO[C@H](CNc2nc(-c3ccccn3)nc3c2c(C)nn3C)C1 72420530 PWTXNQFNZRWKBM-CQSZACIVSA-N 381.440 1.393 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)CC1=O 77302623 SBGIFUKFTYCVRU-KRWDZBQOSA-N 377.460 1.355 0 50 GDAA CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)/C=C/c2cccc(Cl)c2)C1=O 364246341 UEUMBAPRQYPRRH-CEIRLDKZSA-N 397.884 1.951 0 50 GDAA O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CCN2CCC1CC2 376540101 KEKLTHNFZYLLPU-AWEZNQCLSA-N 398.554 1.248 0 50 GDAA COc1ccc([C@@H](NC(=O)c2cccc(-n3cnnc3)n2)C2CC(O)C2)cn1 219306763 IFFRDPPVZSGUCN-WTNGLUPJSA-N 380.408 1.308 0 50 GDAA CN1CC(=O)N2C[C@@H](n3ccnc3-c3cccc(-n4cccn4)c3)C[C@H]2C1=O 82125589 LVIVKUHFSQRREH-IRXDYDNUSA-N 376.420 1.350 0 50 GDAA Cc1cc(C)n2nc(CC(=O)NCc3cnn(-c4cccc(F)c4)c3)nc2n1 426555696 VZKYUKINQGDBRL-UHFFFAOYSA-N 379.399 1.925 0 50 GDAA CCNC(=S)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 85434408 MBMJQKOVFIPRDH-UHFFFAOYSA-N 385.331 1.900 0 50 GDAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2nc3c(s2)CCCC3)[nH]1 426562806 BWWAFZPXSRFHLE-GFCCVEGCSA-N 375.498 1.176 0 50 GDAA CCCN1CC[C@H](Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96165073 WMEVKHPVOIDZFC-AWEZNQCLSA-N 377.489 1.572 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C)n3)CC2)c1 97425270 BNXWKLWQZDKIMM-UHFFFAOYSA-N 389.481 1.652 0 50 GDAA Cn1cnc2cc(-c3nc(COc4ccccc4)nn3CCO)ccc2c1=O 96137961 KXEGVKHUQPGROH-UHFFFAOYSA-N 377.404 1.763 0 50 GDAA COc1ccccc1N1C[C@H](NC(=O)c2cc(-c3cccn3C)n[nH]2)CC1=O 91965704 MSUOZODKQICFQX-CYBMUJFWSA-N 379.420 1.959 0 50 GDAA O=C(NC1Cc2ccccc2C1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95390729 BVNHGDFYYNUHBW-QGZVFWFLSA-N 386.473 1.651 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2CCCO)CC1 91858176 DTXRTXBAVZBDMF-MSOLQXFVSA-N 389.496 1.266 0 50 GDAA NC(=O)Cc1nc(CCc2nc(-c3cccnc3)no2)n(-c2ccccc2)n1 96140461 SRAMIUSRZWHDSF-UHFFFAOYSA-N 375.392 1.525 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 95505760 OTLLXGITYYNDLZ-UHFFFAOYSA-N 398.463 1.581 0 50 GDAA COc1cccc(C(=O)NCC(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 183469283 JHWJPVZVRHDHMP-UHFFFAOYSA-N 399.495 1.245 0 50 GDAA COC1(OC)[C@@]2(Cl)[C@@H]3[C@H](O)[C@@H]4[C@@H]5[C@H](O)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl 252428290 WTFKURLSHUHKJD-ZJBGHGAKSA-N 376.063 1.141 0 50 GDAA CN1CCc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc21 1940195841 QJAXLYBMEYMWJU-UHFFFAOYSA-N 380.448 1.761 0 50 GDAA CN1CCCC[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1 299801815 XXQDFLYGNUGJPF-HKUYNNGSSA-N 394.475 1.752 0 50 GDAA COCC1CCN(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)CC1 824372260 SHHGQFYTHSWAHR-HNNXBMFYSA-N 385.486 1.077 0 50 GDAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCCN(CC(N)=O)C2)cc1 824668752 ODVALOAUFKEABX-GOSISDBHSA-N 396.491 1.816 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2OC)n[nH]1 1875349003 JZVRVFRXSYPFNC-AWEZNQCLSA-N 393.465 1.991 0 50 GDAA O=S(=O)(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc(F)c2occc12 1875398807 FPKNKGDKCABYBB-KCPJHIHWSA-N 379.413 1.886 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)C1 1875370961 JWWWVDUNBGGQCG-GOEBONIOSA-N 387.484 1.590 0 50 GDAA O=C(NCC1(Cn2cc(-c3cncnc3)nn2)CC1)[C@@]1([C@@H]2CCCO2)CCCO1 1875355860 CNNUSTGGANSBBK-PXNSSMCTSA-N 398.467 1.360 0 50 GDAA Cc1nc(CC(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)n[nH]1 952892154 CGPOVUJLYBJFKR-GFCCVEGCSA-N 386.378 1.631 0 50 GDAA CC[C@H](NC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1 1875296921 VGRPXLLTLVAGFQ-UWVAXJGDSA-N 397.479 1.323 0 50 GDAA O=C(O)[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1875291759 KRSLYEZRGNNUFG-INIZCTEOSA-N 392.477 1.941 0 50 GDAA OCCN(CC1CCCCC1)c1ncnc2c1ncn2C[C@@]1(O)CCOC1 888097734 NNZFRSWLEKQQBY-IBGZPJMESA-N 375.473 1.357 0 50 GDAA C[C@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CCS(=O)(=O)C1 191899109 QAICXXHBGQUOCQ-AWEZNQCLSA-N 384.461 1.927 0 50 GDAA Cn1cnnc1SCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529192178 QDEJBFJGMBAKTE-RHSMWYFYSA-N 383.477 1.829 0 50 GDAA O=C1CO[C@H](C(=O)N2CCC(Oc3cccnc3)CC2)[C@@H](c2cccnc2)N1 1529166943 BBDVOTZHCPCKEA-MOPGFXCFSA-N 382.420 1.103 0 50 GDAA CCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529191927 JTZHMDJRWCARAC-CVEARBPZSA-N 377.832 1.214 0 50 GDAA CCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N2CCOCC2)n1 1704353448 XVGSODVJDGHNJD-UHFFFAOYSA-N 391.497 1.178 0 50 GDAA CS(=O)(=O)N(CC(=O)NCc1[nH]nc2ncccc12)c1cccc(F)c1 1772819450 MGTGJNPKNHFMNE-UHFFFAOYSA-N 377.401 1.179 0 50 GDAA CN1CC[C@]2(C(=O)N3CCCC3)CCCN(C(=O)c3ncc(F)cc3F)[C@H]2C1 1772811385 UCAUCNAABXKWHT-OXJNMPFZSA-N 392.450 1.909 0 50 GDAA COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nnn(C)n1 5065640 CRUVEXRDADCDIK-UHFFFAOYSA-N 385.247 1.416 0 50 GDAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCNC(C)=O)cc1 11816465 UWYHDVSWWSEYKB-UHFFFAOYSA-N 375.513 1.934 0 50 GDAA O=C1CCCN1CCCN1C[C@H](C(=O)N2CCc3ccccc3C2)CCC1=O 12076159 QCDQURJCYLFKEA-LJQANCHMSA-N 383.492 1.822 0 50 GDAA CN(Cc1ccccc1)c1ncccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 12431795 CPRXVMHMASHSFN-KRWDZBQOSA-N 388.493 1.704 0 50 GDAA O=C(NCCN1CCOCC1)[C@H]1CNC[C@@H](COc2ccc3c(c2)CCC3)C1 14747255 FKHOKOJQXLFNJC-FXAWDEMLSA-N 387.524 1.228 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)CN1Cc1cccnc1 19606720 CZWQWYNQMZLXOX-SFHVURJKSA-N 379.460 1.940 0 50 GDAA O=S(=O)(CC1CC1)c1ncc(CN2CCSCC2)n1C[C@H]1CCCO1 19720938 INVVQAWALBSSJR-MRXNPFEDSA-N 385.555 1.795 0 50 GDAA O=C(NCC1(N2CCOCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCC2)C1 19840343 UHSDUZKJQJFVOV-KRWDZBQOSA-N 377.529 1.929 0 50 GDAA O=C1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)c2cccc3c2NCCC3)N1 1857694434 BQJDGOZGRKPIIK-JHDROBOHSA-N 396.491 1.290 0 50 GDAA NC(=O)COCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857713185 KFNPYEDVKUFCEI-RBUKOAKNSA-N 398.415 1.558 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3cc(CC(C)C)no3)CC2=O)s1 1857714494 BLPDQJSYGBQWOB-NSHDSACASA-N 393.469 1.540 0 50 GDAA COCCn1ccnc1CN1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857719909 XEFLCLUUVOUWTG-UEXGIBASSA-N 382.464 1.804 0 50 GDAA Cn1ccnc1CCN1CCC2(CC1)CN(Cc1ccccn1)C(=O)CCO2 1857733996 JFUFRJUVOIBWCW-UHFFFAOYSA-N 383.496 1.641 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2oc(C)nc2C)cc1OC 1875247148 RTWOSAXGLJCVDE-IRXDYDNUSA-N 376.409 1.883 0 50 GDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)CCn3nc(C)c(C(C)=O)c3C)[C@@H]2C1 1875249617 JKUMJSRLTGWTTF-GVDBMIGSSA-N 390.484 1.235 0 50 GDAA COCc1noc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)n1 211906611 PFGOGMCCVQHKNP-KGLIPLIRSA-N 375.429 1.444 0 50 GDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704329173 OGOZZWGZKVUTPY-CMPLNLGQSA-N 377.846 1.503 0 50 GDAA COCCn1cncc1CNC(=O)c1ccc2nnc(-c3cccn3C)n2c1 2100544930 BPQIUOHKERBUML-UHFFFAOYSA-N 379.424 1.508 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 2325889809 ZAYOROYKOXAVLX-HNNXBMFYSA-N 377.466 1.694 0 50 GDAA CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 728200 HHPXZOYBRXOSRX-UHFFFAOYSA-N 378.841 1.806 0 50 GDAA CC1CCN(c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)CC1 838142 RXOOLGREJRLGSE-UHFFFAOYSA-N 385.443 1.857 0 50 GDAA biogenic O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 921561 JGWJIKYEALDLGS-UHFFFAOYSA-N 392.452 1.875 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1sccc12 2356161271 NMYKKKSACILTIT-AWEZNQCLSA-N 386.539 1.968 0 50 GDAA CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 4519563 KIOOVYJJGDTTIH-OAHLLOKOSA-N 380.491 1.824 0 50 GDAA CN(CCc1ccccn1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 20321433 VQVBAWLTNFDUBX-QGZVFWFLSA-N 378.498 1.535 0 50 GDAA COc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CCc3nccn3C2)cc1OC 328619328 FTAUPAXWGSKWNO-LBPRGKRZSA-N 383.445 1.923 0 50 GDAA O=C(COC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328631476 QZQSDZQDWYVSLS-IRXDYDNUSA-N 375.469 1.857 0 50 GDAA O=C(N[C@H]1CCNC1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 127888223 VNMHIGPZOWSQDJ-LBPRGKRZSA-N 376.258 1.999 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)cc1Cl 1460006 DGTCRDPYRHDZRY-OAHLLOKOSA-N 386.901 1.969 0 50 GDAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc(=O)n(C)c(=O)n2C)c1C 12713096 XGXWMMVXPZKSJZ-CYBMUJFWSA-N 381.436 1.378 0 50 GDAA CCN1CCC(N[C@@H]2CC[C@@H]2NS(=O)(=O)c2cccc3nonc23)CC1 72432406 RHCQBAGYYHHSOW-KGLIPLIRSA-N 379.486 1.106 0 50 GDAA C[C@@H](C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1cnc2ccccc21 77340792 ZHHLWIZPLSFLIL-HNNXBMFYSA-N 394.479 1.724 0 50 GDAA NC(=O)CCN1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 71751795 GHKYXUGJAGAEJY-LJQANCHMSA-N 386.540 1.397 0 50 GDAA CN1CCN(CC2(C)CCN(C(=O)c3ccnc(NC(=O)C4CC4)c3)CC2)CC1 367669967 FEUGVBWEPIVNJL-UHFFFAOYSA-N 399.539 1.920 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 128500659 ABHGIAOHSHHDHK-UHFFFAOYSA-N 377.466 1.799 0 50 GDAA CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC[C@H](Oc3cccnc3)C2)CC1 372038744 YHPOMLOXXFDRHK-YJBOKZPZSA-N 375.469 1.725 0 50 GDAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)CCO1 239359518 AEKKEJMEOXKXDT-TUKIKUTGSA-N 378.429 1.243 0 50 GDAA CN(C)c1nc2sc(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cc2s1 177836038 KHEYGUIKSGEUTN-UHFFFAOYSA-N 390.494 1.646 0 50 GDAA Cc1sc2ncc(C(=O)N3CCN(c4ccccc4)C(=O)C3)c(=O)n2c1C 82134799 KPLQPINXLVEYGG-UHFFFAOYSA-N 382.445 1.862 0 50 GDAA CC(C)C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F 292950175 BYUHYSREWMLLCW-JTQLQIEISA-N 382.408 1.364 0 50 GDAA CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CCC(=O)NC(=O)N2)CC1 95512786 DDEHFTIJQPOSRM-SFHVURJKSA-N 386.496 1.388 0 50 GDAA O=C(CCc1cc2n(n1)CCN(C(=O)c1n[nH]c3ccccc13)C2)NC1CC1 91390685 AHCTZJYAKKHWKH-UHFFFAOYSA-N 378.436 1.627 0 50 GDAA Cc1nn(-c2ccccc2)cc1CN1C[C@@H](CN2CCN(C)CC2)[C@@H](CO)C1 95382649 IFLGKSXPNCJPST-NHCUHLMSSA-N 383.540 1.468 0 50 GDAA COc1cc(N2C(=O)[C@@H](CC(=O)NCCC(C)C)N=C2O)cc(OC)c1OC 253535707 BAXFVIRLCDUAGA-CYBMUJFWSA-N 393.440 1.894 0 50 GDAA Cc1nc(C)n(CCCNC(=O)c2cccc(-c3cnn(CC(N)=O)c3)c2)n1 534650119 KLLODVDFVMOZRE-UHFFFAOYSA-N 381.440 1.064 0 50 GDAA Cc1sc2nc(CCNC(=O)[C@@H]3CCCCn4nnnc43)nc(O)c2c1C 827731815 IEXBJQWHGFOOOR-LLVKDONJSA-N 387.469 1.627 0 50 GDAA O=S(=O)(CCOc1ccccc1F)NCc1nc(-c2ccncc2)n[nH]1 670446564 VIFKTIJONKPUKK-UHFFFAOYSA-N 377.401 1.504 0 50 GDAA CN1C(=O)[C@H](NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)COc2ccccc21 1875290788 CXGQLDSPDPBQTC-HZPDHXFCSA-N 382.416 1.860 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 1875365672 NPDRJSFLBFGATR-UHFFFAOYSA-N 387.455 1.971 0 50 GDAA CCn1nc2c(c1C(=O)N1CCC(N3CCCNC3=O)CC1)C[C@H](C)O[C@@H]2C 1875314088 GQMJVHZNULUSKZ-UONOGXRCSA-N 389.500 1.945 0 50 GDAA CCN(CCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1 1875324557 CTGNIUZJVMEBIF-UHFFFAOYSA-N 384.371 1.599 0 50 GDAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CS(=O)(=O)C23CCCCC3)c1 1875371451 BHHUQHGSZKYLEB-HNNXBMFYSA-N 378.450 1.746 0 50 GDAA CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3ccnc3)CC2)cc1 1875390946 RJUXQIITPCMQTM-UHFFFAOYSA-N 378.454 1.024 0 50 GDAA CCOc1ccnc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397772 NFOWZWXLGIPAPT-CQSZACIVSA-N 385.472 1.675 0 50 GDAA Cc1noc2ncc(S(=O)(=O)N3C[C@H](c4ccsc4)[C@@H](CO)C3)cc12 1775959186 MUTLMRUCPZCIQI-IUODEOHRSA-N 379.463 1.989 0 50 GDAA O=C1CN(C(=O)c2ccc(CNC(=O)c3ncoc3[C@H]3CCCO3)cc2)CCN1 1318535435 FLKZKBVXLWHELR-OAHLLOKOSA-N 398.419 1.028 0 50 GDAA Cc1cc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c(Cl)cc1F 186125219 DKXOISIBEOFNDN-GFCCVEGCSA-N 389.880 1.372 0 50 GDAA Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O 219659660 NPWGFJCNOCYDSO-KRWDZBQOSA-N 387.783 1.284 0 50 GDAA in-vitro NC(=O)C1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CCCCC1 1529105531 FHZGJRPDMDOMHH-CABCVRRESA-N 379.844 1.201 0 50 GDAA CC1(C)CC(NC(=O)C(=O)NC[C@H]2COc3ccccc3O2)CC(C)(C)N1 5050844 LFGFEGFZCVFUEV-AWEZNQCLSA-N 375.469 1.368 0 50 GDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)C1CC(C)(C)NC(C)(C)C1 12000877 QPRQIVFDMPFBAU-QGZVFWFLSA-N 380.577 1.991 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)CNC(C)=O)CC1 15063573 XCPINRRAFHWKSN-UHFFFAOYSA-N 397.479 1.169 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)CC1 16650843 UEZUTBQGIBVMBB-UHFFFAOYSA-N 383.470 1.387 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCCc3ccccc3OC)CC2=O)s1 1857678139 TYRQMDDKEBDEIM-ZDUSSCGKSA-N 390.465 1.405 0 50 GDAA O=C(CCn1ccccc1=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857725527 AKUAJQBXUFBZGE-YLJYHZDGSA-N 377.444 1.849 0 50 GDAA O=C(CCCc1nc(-c2cccnc2)no1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857740590 LJZLXXNFGWLNPM-KUHUBIRLSA-N 383.408 1.014 0 50 GDAA C=Cc1ccc(N2C[C@@H]3[C@H](CNS(=O)(=O)N(C)C)[C@H]4CC[C@]3(C2)O4)nc1 1875243964 GEOVDZXXWSVFCT-BVIKNXMNSA-N 378.498 1.104 0 50 GDAA CCOC(=O)c1c(NC(=O)CN[C@H](C)Cn2cccn2)sc(C(N)=O)c1C 436112949 SWEJQXWJPQFQSE-SNVBAGLBSA-N 393.469 1.145 0 50 GDAA O=C(c1cn(CCCNS(=O)(=O)c2c(F)cccc2F)nn1)N1CCCC1 12279055 UGNCLRKQDMCHNC-UHFFFAOYSA-N 399.423 1.161 0 50 GDAA COc1ccc(CNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCCC3)C2)c(F)c1F 247900157 QKTDEPMMHIEQHN-KBPBESRZSA-N 381.423 1.438 0 50 GDAA COCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)s1 248020685 RIIVRXCUTFJLMJ-OLZOCXBDSA-N 379.482 1.046 0 50 GDAA O=C(c1cnc(O)c(Cl)c1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704298951 OVMGGFUTZQLKLT-DNVCBOLYSA-N 390.823 1.961 0 50 GDAA CN1CCN(C[C@H](NC(=O)[C@@H]2CCCc3nnn(C)c32)c2ccccc2)CC1 2325773314 JOZVODIVARXEFS-MJGOQNOKSA-N 382.512 1.340 0 50 GDAA Cc1noc([C@@H]2CN(C3CN(C(=O)c4cc5n(n4)[C@H](C)CCC5)C3)CCO2)n1 2325792448 FCJHWGKLRDLORC-PXAZEXFGSA-N 386.456 1.370 0 50 GDAA C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnn3ccccc23)C1 2325794091 PWWGXTOUYQZKLS-YJBOKZPZSA-N 394.479 1.538 0 50 GDAA CN(C)C[C@H](C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1 2325798119 NZHFCGIHHZRDBT-HNNXBMFYSA-N 379.457 1.435 0 50 GDAA C[C@@H]1CN2C[C@H]1CNC(=O)c1ccccc1CC=CCOC[C@@]1(CCNC1)C2=O 2325894014 JWDWRUBWSYZMIK-BOCKYXSRSA-N 397.519 1.620 0 50 GDAA COc1ccc(C(=O)O)nc1-c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325894590 AXKBDSWHRXOCMG-CQSZACIVSA-N 395.371 1.216 0 50 GDAA CCn1nccc1C(=O)N[C@@H]1CC2(CN(C(=O)c3ccns3)C2)n2ccnc21 2332237710 IJFOEYRXBFWVHA-GFCCVEGCSA-N 397.464 1.282 0 50 GDAA COc1ccc(-c2ccc(C(=O)O)c(N3CCO[C@@H](c4nnn(C)n4)C3)n2)cc1 2356147707 KYINDQADXNXSAE-MRXNPFEDSA-N 396.407 1.557 0 50 GDAA COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 2989892 VQQVJIILIRGXNF-UHFFFAOYSA-N 392.477 1.962 0 50 GDAA O=S1(=O)CC[C@@H](NC(=S)SCCOc2ccccc2OCCO)C1 4718940 PTFNXYXRWPFTLX-GFCCVEGCSA-N 391.536 1.231 0 50 GDAA Cc1csc2c(N3CCC[C@@H](n4cc(C(=O)NCCO)nn4)C3)ncnc12 67515028 LESOAYSVGKGRNT-GFCCVEGCSA-N 387.469 1.155 0 50 GDAA COC(=O)c1sc(NC(=O)CN2CC[C@](O)(c3ccccc3)C2)nc1C 65508334 BNFCOJVDWCODCW-GOSISDBHSA-N 375.450 1.770 0 50 GDAA O=C(NCCCc1ccccn1)c1ccc(NCc2nnc3n2CCC3)nc1 67675290 RIYPGRPDICLSQC-UHFFFAOYSA-N 377.452 1.989 0 50 GDAA Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C 172795476 GLEORDQOPJHPRL-HNNXBMFYSA-N 396.491 1.821 0 50 GDAA CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 1391685 NWUVTGDOPFQPAW-GFCCVEGCSA-N 395.264 1.436 0 50 GDAA O=C(CC[C@@H](NC(=O)c1ccccc1)C(=O)NCCCO)OCc1ccccc1 4425336 UFQDPZSNNHNUDG-LJQANCHMSA-N 398.459 1.807 0 50 GDAA O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccc(N2CCCC2=O)cc1 363848095 NSPJGCZTTHHUNB-QZTJIDSGSA-N 386.448 1.789 0 50 GDAA Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(N4CCOCC4)cn3)C2)n(C)n1 369335480 QRSHTSHJKRBRQB-INIZCTEOSA-N 399.499 1.751 0 50 GDAA CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)n(C)c1 369373664 FBLBNVHVWLANRD-KRWDZBQOSA-N 383.514 1.697 0 50 GDAA CC(C)c1nnc(/C=C/C(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)o1 372260700 JLMUQLVJISCPID-HSBSLETESA-N 395.419 1.917 0 50 GDAA CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77471822 HMVNLRVHJNBLEN-NTLWEQJWSA-N 396.422 1.489 0 50 GDAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN(Cc2nccn2C(F)F)CC1 374989485 YIOJEMNNNSGYOP-AWEZNQCLSA-N 393.442 1.917 0 50 GDAA Cc1nc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(=O)[nH]c1C 131240959 ZDQYRRSGHLEXLB-UHFFFAOYSA-N 392.818 1.777 0 50 GDAA CNC(=O)CCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71745997 BHRWHXORHPKUFQ-QGZVFWFLSA-N 377.460 1.937 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cc(C)on3)CC2)C1 71751964 GHCYEWGRTJVZGW-HNNXBMFYSA-N 378.473 1.062 0 50 GDAA COc1cccc(C(=O)N2CCC[C@@H](N(CC(=O)O)C(C)=O)CC2)c1OC 460600790 WGJZLAJRURPPEO-CQSZACIVSA-N 378.425 1.632 0 50 GDAA CN1CCN(C(=O)c2ccc(CNc3cc(-n4cccn4)nc(N)n3)cc2)CC1 290524252 NIYZUKMWSFQEHO-UHFFFAOYSA-N 392.467 1.244 0 50 GDAA CCc1nc(-c2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)n[nH]1 178452527 IMKDOUOHYPEJSM-UHFFFAOYSA-N 377.470 1.142 0 50 GDAA COc1cc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc(OC)c1OC 239297242 DUBARIMOBPAYEK-AONVYAMJSA-N 375.377 1.079 0 50 GDAA CS(=O)(=O)CCNC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 426380758 XBIYFNICQSNNFS-YQVWRLOYSA-N 380.510 1.893 0 50 GDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2ccccc2F)C1 426555509 LALUJCPHAVJZKA-OAHLLOKOSA-N 387.459 1.806 0 50 GDAA O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 91807290 JIGYEBHXGXOAGD-NSHDSACASA-N 397.357 1.172 0 50 GDAA NS(=O)(=O)c1ccc(NC(=O)N2CCC(Oc3ncccn3)CC2)cc1 96166530 WOHNECGDTMNTQG-UHFFFAOYSA-N 377.426 1.199 0 50 GDAA CN(C)C(=O)c1ccc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)o1 96153564 UTNNQAMSDCZCNB-UHFFFAOYSA-N 397.483 1.734 0 50 GDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(N2CCc3ccccc3C2)CC1 426733999 KYVGGWUQABDKAM-KRWDZBQOSA-N 377.510 1.406 0 50 GDAA CSc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 91327013 RGQMJNJYYLPFBM-UHFFFAOYSA-N 378.479 1.345 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3ccnc3)cc2)CC1 95525784 JWVYQZFOFRQOOZ-UHFFFAOYSA-N 386.452 1.329 0 50 GDAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CCN1CCCS1(=O)=O 299747015 BVILOGFDFNMMIT-UHFFFAOYSA-N 390.408 1.194 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2=O)cc1OC 299746334 WRSVDCFEFFECID-HXPMCKFVSA-N 376.409 1.380 0 50 GDAA C[C@H]1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)[C@H]1CN 299739219 LXNOLCDLQFZBQP-BBRMVZONSA-N 379.486 1.142 0 50 GDAA CC(C)=CCN1C(=O)[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)c2ccccc21 1940195753 KBVLVCABHPIVIQ-OAQYLSRUSA-N 396.447 1.021 0 50 GDAA CCN(C(=O)NCCCc1nc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 584900385 NQXOOVLQLDFAFN-CQSZACIVSA-N 378.498 1.725 0 50 GDAA CCC[C@H](C(=O)N1CCC2(CC1)C[C@@H]2c1nnc(C(C)C)o1)S(N)(=O)=O 1875267700 MVYCJEWFKIOJKD-CHWSQXEVSA-N 384.502 1.746 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N=c3cc[nH]c4cccnc34)C2)c1C 1875397540 DDJWGWJHQDKMKZ-OAHLLOKOSA-N 391.479 1.851 0 50 GDAA C=Cc1ccc(C(=O)N2CCN(C3CN(C(=O)CCN(C)CC)C3)CC2)cc1 1875328161 BYQFZZCLFSXGHG-UHFFFAOYSA-N 384.524 1.640 0 50 GDAA CS[C@H]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C(C)(C)SC)(C(N)=O)C1 1875346201 WPMWPCZBUGKIFN-RYUDHWBXSA-N 387.571 1.090 0 50 GDAA O=C(NCCNC(=O)N1CCOCC1)NCCc1ccccc1C(F)(F)F 1875300972 YIIKBEKJCUHNGE-UHFFFAOYSA-N 388.390 1.589 0 50 GDAA C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(C)(C)C3=CCNC3)CC2)C1 1875301401 ITTMQCSSHINWGT-AEFFLSMTSA-N 376.545 1.381 0 50 GDAA Cc1ccc(NC(=O)CC[C@@H](C)N2CCN(C)CC2)cc1NC(=O)CN(C)C 952973318 RXZPOQDUJPDSCZ-QGZVFWFLSA-N 389.544 1.850 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1309956817 ZRPCJBZPKUVMEH-DGCLKSJQSA-N 383.413 1.817 0 50 GDAA O=C(CCc1nc2c(O)nc(S)nc2nc1O)Nc1ccc(C(=O)O)cc1 1776003630 BGNJXPZLSIUWRT-UHFFFAOYSA-N 387.377 1.389 0 50 GDAA CCc1nc(C)c(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)s1 1565517157 RRNCCIVUAJJBIR-GJZGRUSLSA-N 378.498 1.984 0 50 GDAA COCC(=O)N1CC[C@H](NC2CCN(c3ccc(F)c(F)c3)CC2)[C@@H](O)C1 1565511161 LNUCBCWSIOSBAY-ROUUACIJSA-N 383.439 1.131 0 50 GDAA COc1ccccc1CC(=O)N[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1O 1565512120 CHHJBUNALISJGD-IRXDYDNUSA-N 375.494 1.754 0 50 GDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 38599578 NXGXFAKJUWEFEC-BGJURXJTSA-N 399.443 1.908 0 50 GDAA biogenic Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)N1CCN(C)CC1)C2 1073307151 NBHVKDNFZIZCLY-CVEARBPZSA-N 375.473 1.082 0 50 GDAA O=C(NCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2c(=O)o1 277291025 CVFLKBXDEHQCAP-UHFFFAOYSA-N 393.447 1.525 0 50 GDAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc3c(nc2O)CCCCC3)cn1 282318047 MDKMUUVPMQVUJQ-CRYYWNKWSA-N 388.493 1.735 0 50 GDAA COC[C@@H](NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1)C1CC1 408474807 QZQRNUOMYJPFEN-SJORKVTESA-N 375.473 1.585 0 50 GDAA NC(=O)C1(C(=O)N2CCCN(C(=O)CCc3ccc(Cl)cc3)CC2)CC1 1529152733 WABPROQZHDJXFD-UHFFFAOYSA-N 377.872 1.599 0 50 GDAA COc1ccc(CNC(=O)CN(CCC(N)=O)CCc2ccccc2)cc1OC 1529105936 KRUJPLNWKOEDPB-UHFFFAOYSA-N 399.491 1.740 0 50 GDAA COc1cc(CN2CC[C@H](C(=O)O)[C@H](O)C2)ccc1OCCN1CCCCC1 1704314382 PMXWFYJXFNFQBU-ZWKOTPCHSA-N 392.496 1.827 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5s4)C[C@]3(CO)C2)nn1C 1800410394 SMZYGMMBBKXUCX-XOBRGWDASA-N 397.504 1.909 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@H]3CN(Cc4cccnc4N)C[C@]3(CO)C2)cc1 1772815813 XXMCHKGYWKCHTJ-XMSQKQJNSA-N 396.491 1.304 0 50 GDAA Cc1noc(C)c1C(=O)N1C[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@]2(CO)C1 1772812983 SNNRLAWKQBCTNA-AVRDEDQJSA-N 397.475 1.793 0 50 GDAA CCn1cncc1CNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772803998 CDHREOCIVGDEPL-CYBMUJFWSA-N 375.498 1.617 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 11027659 SRNZCWAGVPQXRL-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(C[C@H]3CCCO3)nn2)n1 12595774 KGZSSTDQIFDHDW-LLVKDONJSA-N 384.362 1.547 0 50 GDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1 15062354 GEGGAPHRGXZOIV-HNNXBMFYSA-N 396.509 1.639 0 50 GDAA COc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCC(C)CC3)C3=C2C(=O)OC3)cc1 169760830 LZWUDBQBHCAQCO-IBGZPJMESA-N 399.447 1.831 0 50 GDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cn[nH]c2)C1 1857692146 QLTTZEPPPHSKSA-SVFBPWRDSA-N 389.544 1.281 0 50 GDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857714528 CLKUYFPAUFXDTB-RNQOJCNYSA-N 389.496 1.233 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3nc4c(s3)CCCC4)C[C@H]2CO1 1857717546 XZXQPLHLEHFBFV-RDBSUJKOSA-N 392.525 1.072 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccnc2O)cn1 1857725944 BBOGMYOTFAKWHU-ROUUACIJSA-N 385.468 1.589 0 50 GDAA N=c1ccnc(N2C[C@@H]3[C@H](CNC(=O)Cc4ccccc4)[C@H]4CC[C@]3(C2)O4)[nH]1 1875243534 KYCCUMZDSCRAKG-BIZBXSGISA-N 379.464 1.232 0 50 GDAA Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 333193869 SUQHLBKWSFGPSV-JTQLQIEISA-N 383.392 1.935 0 50 GDAA CCS(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 4740941 CZOYMJXSBGSWQN-UHFFFAOYSA-N 382.873 1.358 0 50 GDAA CCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CCOC)n1 2100482676 QKBWMDKHTIVPPS-MSOLQXFVSA-N 390.440 1.433 0 50 GDAA CN1C(=O)CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c2ccc(F)cc21 2325730472 OLEJAVLJFGDJAP-MRXNPFEDSA-N 399.422 1.811 0 50 GDAA C[C@@]12CN(C(=O)[C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4F)C3)C[C@]1(CO)C2 2325806973 RAKSNJFGZOOWGP-BKTGTZMESA-N 386.431 1.063 0 50 GDAA COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)Cn1ccc(=O)c(O)c1C 2325869939 CCZPZBQPZUATCD-OAHLLOKOSA-N 384.388 1.509 0 50 GDAA C[C@H](NC(=O)COC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)C(=O)N(C)C 2325873578 MAUWHPOLQMJAJG-ZDUSSCGKSA-N 394.431 1.980 0 50 GDAA NC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 939397 DPVXELJHSOVVPH-UHFFFAOYSA-N 383.429 1.961 0 50 GDAA COc1ccc(CC(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 2842940 AOWRVZZDVZODPL-UHFFFAOYSA-N 379.463 1.398 0 50 GDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCCCC1 12004547 UWBWHMCOAFHTSV-UHFFFAOYSA-N 388.511 1.800 0 50 GDAA O=C(NCCCO)c1cn([C@H]2CCCN(Cc3c(F)cccc3F)C2)nn1 12150340 BXDYROFYTKLCQE-ZDUSSCGKSA-N 379.411 1.506 0 50 GDAA CCOC(=O)CCNC(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 12206008 GAPKTHCWRBGIOA-UHFFFAOYSA-N 392.452 1.768 0 50 GDAA Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCN3CCOCC3)c12 14951818 VZMRUXLFMPDTHR-UHFFFAOYSA-N 375.498 1.980 0 50 GDAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H](C)N1CCOCC1)CC2 19148066 LSUMSOMSXYPQKX-CQSZACIVSA-N 390.484 1.075 0 50 GDAA Cc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccc(F)cc4)c3c2=O)n1 40398578 XYTNKPRDSHQNKO-UHFFFAOYSA-N 376.355 1.969 0 50 GDAA O=C(Cn1nc(-c2cccs2)ccc1=O)NCC1CCC(C(=O)O)CC1 49550468 MWUJWUHYGWEQSV-UHFFFAOYSA-N 375.450 1.979 0 50 GDAA Cc1ccc(N(CC(=O)NC[C@H](C)Oc2cccnc2)S(C)(=O)=O)cc1 55227499 HOHMLSLZCOUESL-HNNXBMFYSA-N 377.466 1.740 0 50 GDAA O=C([C@H]1CCCN(C2CCN(Cc3cscn3)CC2)C1)N1CCOCC1 71771082 RHGGWOALMLBISH-INIZCTEOSA-N 378.542 1.678 0 50 GDAA NC(=O)C[C@H]1COCCN1C(=O)c1cnc(SCc2ccccc2)nc1O 72412473 BOIVJVPHAJBWJO-ZDUSSCGKSA-N 388.449 1.191 0 50 GDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(CCC(F)(F)F)C1 72418657 PTIYGVMRZXSDKE-ZDUSSCGKSA-N 375.439 1.904 0 50 GDAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 91645871 IMQRDEBZUCHDPC-UHFFFAOYSA-N 383.496 1.898 0 50 GDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCCC1=O)CC2 91818235 XLMISTHKBWGNML-UHFFFAOYSA-N 387.484 1.035 0 50 GDAA CN(C)[C@@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1cccc(F)c1 95354561 GJKNHRVHUPTZGX-GOSISDBHSA-N 377.460 1.526 0 50 GDAA CCNc1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)cn1 95503443 HVJHCRKPWONJNJ-UHFFFAOYSA-N 383.500 1.918 0 50 GDAA CN1CCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1(C)C 95504307 XFMBAOCSOZVXLY-LJQANCHMSA-N 377.529 1.285 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)Nc3cccc(-n4cnnn4)c3)CC2)n1 95505185 QTKWAFALAJLXEM-UHFFFAOYSA-N 379.428 1.423 0 50 GDAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccn3nnnc3c1)CC2 95529274 IPYVVUQAWCLPKA-UHFFFAOYSA-N 380.456 1.247 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1C1CCOCC1 96136283 GLAWNVURTIGPKU-QAPCUYQASA-N 376.501 1.543 0 50 GDAA CN(C)c1cc2c(cc1NC(=O)NCc1cncn1C1CC1)n(C)c(=O)n2C 96165897 COICWEAKEADVBW-UHFFFAOYSA-N 383.456 1.796 0 50 GDAA Cc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)no1 109063356 UZRFRVMUOYIPNH-HNNXBMFYSA-N 379.438 1.370 0 50 GDAA Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 170610358 GDYWASQCTRGCTJ-HNNXBMFYSA-N 376.482 1.547 0 50 GDAA O=S(=O)(CCOc1ccccc1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 223376457 HZUUAIVGXDDAGU-IAGOWNOFSA-N 378.450 1.616 0 50 GDAA O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CN1Cc1cccnc1 244032140 STQFRNZCMPYZTG-MRXNPFEDSA-N 382.420 1.008 0 50 GDAA COc1cncc([C@@H](NC(=O)c2cccc(-n3cnnc3)n2)[C@H]2C[C@@H](O)C2)c1 244594325 DKYZKZUUBZYZRW-WRSAYESZSA-N 380.408 1.308 0 50 GDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1nc(C)cc1C)C=C2 253412215 QFLZDNPCUOSUHB-UHFFFAOYSA-N 398.463 1.689 0 50 GDAA biogenic C[C@H](O)C(=O)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 253433634 ZOOKRBWVCIHUIH-QMMMGPOBSA-N 388.287 1.448 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c(Cl)nc4ccccn34)O2)n1 275278593 KCNOVBDLPAXCPP-MNOVXSKESA-N 397.844 1.878 0 50 GDAA C[C@H](Cn1ccnc1)NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 298905328 BSKAUZQZDAJGKQ-MRXNPFEDSA-N 394.479 1.849 0 50 GDAA COc1ccc(N2C[C@H](C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2=O)cc1OC 299746333 WRSVDCFEFFECID-CWTRNNRKSA-N 376.409 1.380 0 50 GDAA O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1nc(C(=O)O)cs1 299749550 KRHQMGHLWIAYLP-UHFFFAOYSA-N 377.397 1.966 0 50 GDAA O=C(NCCc1ccccc1F)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299796692 PFYHONPTTNVGEE-WQDJSCAQSA-N 378.444 1.566 0 50 GDAA CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCN1C[C@H](C)O 378567364 BQMWLNBMTJARCY-LZLYRXPVSA-N 389.496 1.300 0 50 GDAA O=C(NS(=O)(=O)c1cccc2ccccc12)[C@@H]1CC12CCS(=O)(=O)CC2 408481297 INOREQOCNAQPJC-HNNXBMFYSA-N 393.486 1.860 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1)C1CCC1 408521282 OHBCEYQNMLXKFL-JQJKNKOQSA-N 376.478 1.815 0 50 GDAA CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1)C(=O)O 424485318 WZMSQZCYWDHYAB-DVOMOZLQSA-N 398.406 1.462 0 50 GDAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(O)cc2F)c1 426387362 YCOHSAXQXBXLQP-KRWDZBQOSA-N 385.395 1.275 0 50 GDAA Cc1nc(O)c(C(N)=O)c(C)c1NC(=O)C1(N2CCOCC2)CCCCC1 825269005 KWBHVUKQOIYWFD-UHFFFAOYSA-N 376.457 1.477 0 50 GDAA CN(C)C(=O)COc1ccc(NC(=O)N(C)Cc2cn(C)nn2)cc1Cl 888101958 SMAVBIUZTHMYGB-UHFFFAOYSA-N 380.836 1.599 0 50 GDAA Cn1cc([C@@H]2CN(CC3(O)CCC3)C[C@H]2C(=O)N2CCOCC23CCC3)cn1 888103156 LMYIGCXZCCVVDN-ZWKOTPCHSA-N 388.512 1.132 0 50 GDAA CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 952963216 IYUQGGFDEQRWKB-QGZVFWFLSA-N 389.477 1.811 0 50 GDAA COc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c(O)c1 1565511741 ZTLALNWIAVOOKQ-WMZOPIPTSA-N 375.425 1.371 0 50 GDAA COC[C@H](O)CN(C)C(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704314927 YKQXGTIJSVMDMK-GFCCVEGCSA-N 381.404 1.635 0 50 GDAA CCc1cc(N2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)ncn1 1704358421 LCSZELRKPWVCKV-UHFFFAOYSA-N 382.468 1.233 0 50 GDAA O=C(N=c1[nH]oc2ncccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1850292789 GUQNVYLVLHFLTI-AWEZNQCLSA-N 390.396 1.576 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCc3cc(CC(C)C)no3)CC2=O)s1 1857714492 BLPDQJSYGBQWOB-LLVKDONJSA-N 393.469 1.540 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccn(C)c2=O)cn1 1857736329 PGAUSCBBOHNVMX-OALUTQOASA-N 399.495 1.187 0 50 GDAA O=c1nc(NS(=O)(=O)c2ccnn2CC2CCC2)ccn1CC(F)(F)F 1875279837 HFSLKMFCVRVIGD-UHFFFAOYSA-N 391.375 1.603 0 50 GDAA O=C(CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C2CCNCC2)CC1)NC1CC1 1875292828 UNTPWUBPJSYTGK-RTBURBONSA-N 376.545 1.262 0 50 GDAA C[C@H](O)[C@H]1CN=C(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)N1 1875315107 ITIMYFBRPVTGHK-TUKIKUTGSA-N 384.402 1.495 0 50 GDAA CNC(=O)C[C@@H]1CN(C(=O)NCCc2c(OC)ccc3ccccc23)C[C@H]1O 1875401437 YDDVKGSIYKSHTG-CRAIPNDOSA-N 385.464 1.529 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnn(C)c3)OCC(=O)N2C2CC2)cc1 1940198177 SFQVICTZYJNAIY-UXHICEINSA-N 398.463 1.219 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCc2cc3ccccc3o2)CC[C@H]1O)c1cc[nH]n1 2100483857 UDGFXSGLHLJZSU-IAOVAPTHSA-N 382.420 1.732 0 50 GDAA Cn1nc(C(=O)N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)cc1C1CC1 2356142778 HKSGXBKQMSECCK-WIYYLYMNSA-N 383.448 1.818 0 50 GDAA CN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1=O 2356151447 IVGKEDDCULNBAM-GOSISDBHSA-N 377.466 1.347 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1O 2356155161 ZTHGWLCAWGIEBB-PXNSSMCTSA-N 376.453 1.601 0 50 GDAA CC(C)C[C@H](NC(=O)C1(N2C[C@H](C)O[C@H](C)C2)Cc2ccccc2C1)C(N)=O 23128993 XXOXACCBGJBYMU-FCEWJHQRSA-N 387.524 1.649 0 50 GDAA O=C1CCC2(CCN(Cc3cc(=O)n4ncnc4[nH]3)CC2)CN1C1CCCC1 102206217 FNMXFRXQSOXBSX-UHFFFAOYSA-N 384.484 1.565 0 50 GDAA CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC[C@H]1c1ccc(C(=O)NC)s1 23337639 OKVNGOBWVWFYTP-NSHDSACASA-N 378.454 1.638 0 50 GDAA Cc1nn(CCc2nc3c4cnn(C)c4ncn3n2)c(C)c1Br 2802098 SPMDAUYFNMWIMX-UHFFFAOYSA-N 375.234 1.830 0 50 GDAA CN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)CC1 72158840 WNENAPYBTDXMCT-INIZCTEOSA-N 398.429 1.170 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)c2cccnc2)CC1 173724058 VTAXRCYLAMEBEO-GFCCVEGCSA-N 378.454 1.323 0 50 GDAA CC(=O)NC1(c2noc(CCC(=O)N3C[C@H](C)N[C@@H](C)C3)n2)CCCCCC1 153809936 JSJDNOJVEHFCEG-GJZGRUSLSA-N 391.516 1.897 0 50 GDAA NC(=O)c1cn(C2CN(C(=O)Nc3ccccc3N3CCCCCC3)C2)nn1 363815878 HBNJZZUAGHMBDZ-UHFFFAOYSA-N 383.456 1.846 0 50 GDAA Cc1cc(N)n(CC(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 72146143 NCMNOYWBJOYRSF-ZDUSSCGKSA-N 382.390 1.973 0 50 GDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3cc(F)ccc3F)nn2)n1 72437480 LRJUQJUBVCCKPH-UHFFFAOYSA-N 394.407 1.639 0 50 GDAA Cc1cncn1C1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 369152500 BCINNRBIHCFWBB-VQTJNVASSA-N 382.464 1.954 0 50 GDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(n2cncn2)C1 377666192 DAAPSBNTKUXUOH-AWEZNQCLSA-N 391.378 1.568 0 50 GDAA CCCCCCN1CC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)OC1=O 77287918 HSZFRQRTWDLLFV-UHFFFAOYSA-N 376.457 1.788 0 50 GDAA COc1ccc(-c2cn(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)cn2)cc1 218363436 BTSBLFUBKFAMFQ-FQEVSTJZSA-N 393.399 1.861 0 50 GDAA NC1(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OCc2cccnc2)CC1 72142019 FRYGMIVKZVOCNV-UXHICEINSA-N 392.503 1.950 0 50 GDAA CCn1ncnc1[C@H](NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)C1CC1 222862423 GUSCPHHPKVVCFA-QGZVFWFLSA-N 391.497 1.406 0 50 GDAA COc1cc2c(cc1NC(=O)NCCc1csc(N)n1)n(C)c(=O)n2C 426412499 VRPSJCSXJHZZDP-UHFFFAOYSA-N 376.442 1.289 0 50 GDAA CN(C[C@H]1COCCO1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 426409191 WIDFAJZUQYRMTQ-AWEZNQCLSA-N 380.832 1.989 0 50 GDAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)no1 95354558 QWTPBFHQRTYOMV-HNNXBMFYSA-N 379.438 1.370 0 50 GDAA COc1ccccc1-n1ncnc1C[C@@H]1C(=O)NCCN1Cc1ccccc1 91625464 DCDULRBDEUPDFN-GOSISDBHSA-N 377.448 1.819 0 50 GDAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)Nc1cc(NS(C)(=O)=O)ccc1F 97334264 DWTALTFVCAPUFX-NEPJUHHUSA-N 384.433 1.424 0 50 GDAA CCCCn1nc(CC2CCN(C)CC2)nc1C[C@H]1C(=O)NCCN1CC 96165801 HXZADWFYVGHAFI-KRWDZBQOSA-N 376.549 1.325 0 50 GDAA O=C1CC2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)CN1CCCc1ccccc1 95375951 XCSPWDWNOGTPKH-MOPGFXCFSA-N 385.508 1.183 0 50 GDAA Cc1nn(CCn2cc(-c3cnc(N4CCOCC4)nc3)nn2)c(C)c1Cl 91625334 PQEAFRIXSBGUCY-UHFFFAOYSA-N 388.863 1.739 0 50 GDAA CN(Cc1ccccc1)S(=O)(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244872896 WGMQGCDIBQZLFP-UHOSZYNNSA-N 375.494 1.730 0 50 GDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)Cc3nc(O)c4ccccc4n3)n2C)C1 253537211 COISUMPZLDTHLZ-HDJSIYSDSA-N 395.467 1.478 0 50 GDAA COc1cc2ncn(CC(=O)N[C@@H](CO)Cc3ccccc3)c(=O)c2cc1OC 252539157 NULZKFVOHQAZNM-OAHLLOKOSA-N 397.431 1.134 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 299751798 RWBRNFNZQMJHHA-IHRRRGAJSA-N 377.441 1.485 0 50 GDAA Cn1nc(-c2cccc(C(=O)N3CCN(Cc4cccnc4)CC3)c2)ccc1=O 534652362 DKAPPJQSVDDLCL-UHFFFAOYSA-N 389.459 1.800 0 50 GDAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 299798421 RXVZIGULIQPPNO-ZDUSSCGKSA-N 380.470 1.311 0 50 GDAA O=C(NCc1ccco1)C1CCN(C(=O)CCN2CCCCCC2=O)CC1 827908371 QNFFJLPXVFVRAW-UHFFFAOYSA-N 375.469 1.927 0 50 GDAA Cc1ccn2cc(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc2c1 670464056 QHMDMFLOHPWJJY-QGZVFWFLSA-N 390.509 1.158 0 50 GDAA Cc1nc(C)c(C)c(N(C)CCN2CCN(C(=O)c3cn(C)nc3C)CC2)n1 1875312376 MIIQFBLFTNZULR-UHFFFAOYSA-N 385.516 1.338 0 50 GDAA CCC[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@](C)(O)C(=O)O 1875261618 OHNVEQHXKSAZKS-XIKOKIGWSA-N 378.450 1.752 0 50 GDAA Cc1cc(N2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)n2ncnc2n1 952966080 UFBAQTALVCLXEH-GOSISDBHSA-N 397.458 1.523 0 50 GDAA O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccccc1O 886025202 CFHXIELZADRMCK-CYBMUJFWSA-N 383.360 1.570 0 50 GDAA Cc1ccc(F)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C(C)C)C3)[C@H]2C1 1775991872 NJMHTJOTGFNZBO-CKNFYHOISA-N 387.455 1.578 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3cnc4c(c3)c(C)nn4C)O2)n1 275232129 DICQQKJJEHZCSZ-RISCZKNCSA-N 392.441 1.167 0 50 GDAA COc1cc(CN2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc(OC)c1 219629110 MKJIKMLGFYWFMQ-MSOLQXFVSA-N 396.509 1.170 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1ccsc12 1704335661 QDVUFRDPVLXCMQ-OAHLLOKOSA-N 386.539 1.968 0 50 GDAA Cc1c(NC(=O)CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cnn1C 1704304961 NTHXRPXBTPYTNB-OXQOHEQNSA-N 379.464 1.751 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCCN(Cc2nc(-c3ccco3)no2)CC1 1772702921 FDRCPTLNKCIFJN-UHFFFAOYSA-N 393.407 1.720 0 50 GDAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O 11813665 APKHSLFWLXBJKB-QGZVFWFLSA-N 387.524 1.606 0 50 GDAA N=c1nc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c2nc[nH]c2[nH]1 1857668447 KAUFLNQHWBSFNX-IBGZPJMESA-N 378.440 1.623 0 50 GDAA N=c1[nH]c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccccc4)CCO3)C2)cs1 1857703925 WQJSNKXSBKPUQV-YJJPMGAVSA-N 398.488 1.713 0 50 GDAA COCCn1nnc([C@H]2CN(Cc3cc(Cl)cc(OC)c3OC)CCO2)n1 1857736284 IYLVHFUBBNXTNR-OAHLLOKOSA-N 397.863 1.564 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[C@H]1O 1857738870 BWJJXPQPRVDPAK-NQIIRXRSSA-N 390.480 1.426 0 50 GDAA CN1C(=O)[C@@H](CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)N(C)C1=O 1875250659 VDWUCOCNXKXCMD-QGZVFWFLSA-N 395.463 1.297 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1)c1ccccn1 408521414 STPOMPLSAVQCEO-MESXRHEYSA-N 399.472 1.724 0 50 GDAA CCS(=O)(=O)N1CCC(N(CCOc2ccccc2F)CC(=O)O)CC1 328605081 MHKAEVMOFVPUNO-UHFFFAOYSA-N 388.461 1.405 0 50 GDAA COc1ccccc1N1CC[C@H](NC(=O)c2ccccc2Cn2cncn2)C1=O 157243416 VQYJCGRDDRPAND-KRWDZBQOSA-N 391.431 1.870 0 50 GDAA Cc1cc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)on1 2325896153 SBIXVHQNEWSUAJ-CQSZACIVSA-N 397.391 1.066 0 50 GDAA O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 1545034 CEIJFEGBUDEYSX-FZDBZEDMSA-N 383.496 1.410 0 50 GDAA biogenic,investigational O=C(CN1CCC(N=c2[nH]oc(-c3ccccc3)c2C(=O)O)CC1)NC1CC1 2356138173 GWMUOMZWOOFRQN-UHFFFAOYSA-N 384.436 1.617 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cn4c(n3)CCNCC4)C1)CC2 2356147197 MNAWGCUKYITUCO-OAQYLSRUSA-N 395.511 1.005 0 50 GDAA COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)cn23)n(C)c1=O 4250555 LWJNUYPROCVVNX-CYBMUJFWSA-N 395.419 1.489 0 50 GDAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 4335191 FSKHMXPJGBMVHB-UHFFFAOYSA-N 380.491 1.601 0 50 GDAA Cn1cc(N2CC[C@H](NC(=O)NCc3ccccc3-n3ccnc3)C2=O)cn1 117962139 MHNLIJZYDSWPQN-INIZCTEOSA-N 379.424 1.211 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 172793500 FNULJNLMJHRINA-UHFFFAOYSA-N 391.435 1.857 0 50 GDAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCOCC1 23369260 LFEOROMIQDMFNJ-OAQYLSRUSA-N 393.487 1.903 0 50 GDAA CNC(=O)Cn1nc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C 67803377 TUCJINSNCLOLQC-MRXNPFEDSA-N 376.844 1.805 0 50 GDAA COCC(=O)N1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)CC1 65374806 FEPREZLXWXCSTO-UHFFFAOYSA-N 385.468 1.353 0 50 GDAA NC(=O)c1cc(OC2CCN(Cc3cc(Br)no3)CC2)ccn1 328589767 SVZPNHYGTCTKBO-UHFFFAOYSA-N 381.230 1.974 0 50 GDAA CN1CCN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ncc[nH]1 328621865 IAJMVKWCPRJWAI-LBPRGKRZSA-N 385.287 1.850 0 50 GDAA C[C@@H]1Cc2ccccc2N1CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 65362390 VWSMAKVMGQCINU-NVXWUHKLSA-N 379.526 1.616 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3snnc3C)CC2)C1 71639109 XEWQACYTEOGOQE-OAHLLOKOSA-N 381.546 1.286 0 50 GDAA NS(=O)(=O)[C@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 331596155 CGTRIFCTAHRRGX-UONOGXRCSA-N 391.415 1.564 0 50 GDAA CC1(C)C(c2cc(NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n[nH]2)C1(C)C 333108268 RLNYUDOUKMNZPT-YIKOMLBNSA-N 386.452 1.660 0 50 GDAA Cc1nnc(CCNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)s1 215900084 FFYNBYOWUCFKPH-UHFFFAOYSA-N 380.495 1.604 0 50 GDAA O=C1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C(=O)N1 492611023 DBTFIIVIOFHLHQ-MRXNPFEDSA-N 391.383 1.018 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 71745548 SLQXKXYVNJDBLC-UHFFFAOYSA-N 378.454 1.615 0 50 GDAA Cc1nn(CC(=O)NCC2(Cn3cccn3)CC2)c(=O)n1Cc1ccccc1 77489137 DKVYNLRZNGLLSP-UHFFFAOYSA-N 380.452 1.195 0 50 GDAA O=C(CCn1cnc2[nH]ccc2c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 241301024 LPTAKEHEPNPPFD-UHFFFAOYSA-N 383.364 1.234 0 50 GDAA COc1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)ccc1OCCN 426373618 MYKXUKWJWMCNIA-SFHVURJKSA-N 387.411 1.485 0 50 GDAA CC(C)CN1CCCC[C@@H]1CCNC(=O)N1CCc2c(c(CO)nn2C)C1 426435268 CMRAODAJOZHCBM-MRXNPFEDSA-N 377.533 1.881 0 50 GDAA Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C2CCCC2)cc1 426477934 BUUODWCUWNAKEC-QGZVFWFLSA-N 382.464 1.881 0 50 GDAA O=C(NCCN1CCN(c2ncccn2)CC1)[C@H]1CCOc2ccccc2C1 95502901 IVZKVZMRRDTHCY-SFHVURJKSA-N 381.480 1.356 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1NS(C)(=O)=O 95519494 IHKOLCSNTHEKEQ-UONOGXRCSA-N 378.450 1.439 0 50 GDAA COCCn1nnnc1[C@@H]1CN(C(=O)Nc2cc(N(C)C)ccc2C)CCO1 96140312 QSUPJYAOXMGQSZ-INIZCTEOSA-N 389.460 1.299 0 50 GDAA Cc1nn(C)c(C)c1C(=O)N1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91665164 ZCTAPYSUCIEZSW-CQSZACIVSA-N 376.457 1.355 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(CC)s2)CN1C(=O)C1CCC1 96163937 YSQOAAXDCBFAST-HIFRSBDPSA-N 377.510 1.946 0 50 GDAA CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1CC)CC2 95523241 GFFSAGSDVLGVAU-UHFFFAOYSA-N 384.484 1.481 0 50 GDAA COc1cccc(OC)c1CN1CC[C@@](O)(CN2CCOCC2)C(C)(C)C1 91526851 LNXLFLNVNVCWQB-OAQYLSRUSA-N 378.513 1.999 0 50 GDAA CC(=O)N1CCC(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)CC1 95371310 KESZVNDJTLCPHI-NRFANRHFSA-N 376.545 1.406 0 50 GDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)CC1 244899428 ZJVBIBZNFMDNNJ-SHTZXODSSA-N 396.509 1.523 0 50 GDAA C[C@@H](C(=O)Nc1nnc(-c2cccnc2)s1)n1nnc2ccccc2c1=O 252489022 JDUNHUZZXOMKPH-JTQLQIEISA-N 379.405 1.905 0 50 GDAA Cc1nc(C(=O)N(CC(=O)O)C2CCOCC2)nn1-c1ccc(Cl)cc1 299752894 VXJKCMFTIZCPEJ-UHFFFAOYSA-N 378.816 1.935 0 50 GDAA C[C@H](C(=O)Nc1nncs1)N1CCN(C(=O)COc2ccccc2)CC1 252488722 IXOQRRYUIOHCRC-CYBMUJFWSA-N 375.454 1.088 0 50 GDAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 268987747 QLAYBCPLGYDRIP-ZWNOBZJWSA-N 397.225 1.114 0 50 GDAA CN(C)c1nc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)nn1C 299780523 AQQOZAALJFPVFZ-IRXDYDNUSA-N 384.484 1.141 0 50 GDAA CCCN1C[C@@H](NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1=O 822919096 CHPAJYRSZABSGF-AWEZNQCLSA-N 379.482 1.493 0 50 GDAA C[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1nc(-c2cccnc2)no1 670469699 BKWVOHZNVOKVKK-GFCCVEGCSA-N 392.379 1.364 0 50 GDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1cc(-c2ccccn2)[nH]n1 670466688 RFXXXFSORRDKJT-LWYUSKRHSA-N 390.451 1.936 0 50 GDAA O=C1NC(=O)/C(=C/c2cnc(O)c(-c3ccc(N4CCNCC4)nc3)c2)S1 585091610 YHUKWWWCNSTFHL-ZSOIEALJSA-N 383.433 1.583 0 50 GDAA CCN1CC2(CCN(C(=O)[C@@H](Cc3ccsc3)NC=O)CC2)[C@@H]2COC[C@@H]21 1875321285 BSGHUJPLTJLDNG-KURKYZTESA-N 391.537 1.365 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)Nc3nccs3)CC2)C1 1875370803 DUPITOLJZGKTEJ-CQSZACIVSA-N 376.482 1.745 0 50 GDAA Cn1ncc2c1CCN(C(=O)c1cc3c(C(F)F)nn(C)c3s1)[C@H]2C(N)=O 1875395375 BZIDZBSRGUFHTC-GFCCVEGCSA-N 394.407 1.531 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1cccc(S(C)(=O)=O)c1 1875313667 WJIGSGADKULGDG-UHFFFAOYSA-N 384.435 1.003 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4ccccn34)C2)n1 1875396826 DPKLFJOGKLHHOD-OAHLLOKOSA-N 379.468 1.469 0 50 GDAA CN(CC1(N2CCCCC2)CCCCC1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952976914 VKORMRXCCZLKRR-MRXNPFEDSA-N 392.587 1.624 0 50 GDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3ccnc(OC(C)C)c3)c2C1 277238983 OUTPLGYDCXMNKU-MRXNPFEDSA-N 385.468 1.694 0 50 GDAA Cc1ccn(C[C@@](C)(O)C(=O)NC2CCN(C3CCCCC3)CC2)c(=O)c1 279372579 UEYAWJWLTGPWRD-OAQYLSRUSA-N 375.513 1.821 0 50 GDAA CC(C)c1noc(C2CCN(c3cncc(C(=O)N4CCN(C)CC4)n3)CC2)n1 1529093994 FMFWHEWBIPZJRE-UHFFFAOYSA-N 399.499 1.755 0 50 GDAA Cc1nc[nH]c1CN1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@@]2(CO)C1 1772810399 GBRUBKZUWRXEEF-WIYYLYMNSA-N 383.496 1.397 0 50 GDAA CC1=C(CN2C[C@@H]3CN(C(=O)Cn4cnnc4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772809376 VJJMOKAMQOZQBD-DYESRHJHSA-N 387.528 1.557 0 50 GDAA CN(C)C[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 1772701191 KKXPWDKTQZTDAT-HNNXBMFYSA-N 396.431 1.910 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCCOc1cccnc1 12313839 HAWLSDLXODMYBB-IBGZPJMESA-N 382.464 1.357 0 50 GDAA COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)cc1 12432430 NBLMMNDYGZHAEG-SFHVURJKSA-N 395.459 1.966 0 50 GDAA c1cnc(N2CCCN(c3nc4nonc4nc3N3CCCCCC3)CC2)nc1 12471551 XCMXQTRKUBHBLA-UHFFFAOYSA-N 395.471 1.900 0 50 GDAA Cc1nc(O)cc(CN2CC[C@H](O)[C@H](NC(=O)CCc3cccc(F)c3)C2)n1 1857670925 HLFQYJUFMMJGGN-MSOLQXFVSA-N 388.443 1.314 0 50 GDAA Cc1cc(CN(C)C(=O)[C@H]2CC[C@@H](NC(=O)c3ccncc3F)[C@H](O)C2)no1 1875242938 ISGHSVRGOXIPJM-JCURWCKSSA-N 390.415 1.435 0 50 GDAA CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(F)cc1 4784048 WSMUAKDGOFXEQI-AWEZNQCLSA-N 375.352 1.917 0 50 GDAA biogenic,in-vitro CCS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 2731589 RUXREKHTQNCNNV-UHFFFAOYSA-N 393.465 1.007 0 50 GDAA COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)c1 6690970 ANTQYTIPFXAWCL-UHFFFAOYSA-N 377.470 1.355 0 50 GDAA O=C([C@@H]1CCCN(Cc2nc(COc3ccccc3)no2)C1)N1CCOCC1 11934569 BRIRFKYDSVKHLL-MRXNPFEDSA-N 386.452 1.719 0 50 GDAA CC(C)CN1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 15000508 WLPYPEXCDGPTJI-UHFFFAOYSA-N 381.480 1.957 0 50 GDAA COCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)CC(C)(C)C 20598599 BHHFZAFIKXWIFO-UHFFFAOYSA-N 384.502 1.969 0 50 GDAA CC(C)=CCN1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO 23373269 RPPNUOLAMGCJBG-IBGZPJMESA-N 384.524 1.961 0 50 GDAA CCn1nc(C)cc1C(=O)N1CCC[C@H]2CN(S(=O)(=O)C(C)C)CC[C@@H]21 43619964 YDSLATZQPCDGAT-HOTGVXAUSA-N 382.530 1.876 0 50 GDAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 48121681 RCANESAKKYPJHG-CQSZACIVSA-N 378.436 1.716 0 50 GDAA Cc1csc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 67674406 BUWMMRYDDICFGM-KRWDZBQOSA-N 392.569 1.987 0 50 GDAA C[C@H](O)C(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 67724313 NFZJIAJKWSSKBE-LBPRGKRZSA-N 386.408 1.408 0 50 GDAA COC(=O)c1coc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71498661 LWGVOGZEIMLSKD-CQSZACIVSA-N 390.484 1.416 0 50 GDAA CCCN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CCCC[C@H]1O 72115996 SLDOYPVPDXQHIF-JKSUJKDBSA-N 375.535 1.047 0 50 GDAA CCc1nc(-c2ccnc(NC)c2)n(-c2cc(S(N)(=O)=O)ccc2F)n1 96150367 RWPKKJJZFKZHGD-UHFFFAOYSA-N 376.417 1.720 0 50 GDAA COCC1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1 96152685 OORKCCMYNKJPCG-UHFFFAOYSA-N 378.473 1.538 0 50 GDAA COc1cc(CN[C@H]2c3ccccc3C[C@H]2O)cc(Cl)c1OCC(N)=O 119152168 QWNSRPBIXOKAHC-QAPCUYQASA-N 376.840 1.961 0 50 GDAA CN1CCCc2ccc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)cc21 126086989 PTUYFWOTMDBLQZ-GOSISDBHSA-N 376.482 1.565 0 50 GDAA NC(=O)CNC(=O)c1cc2n(n1)C[C@H](c1ccc(Br)cc1)OC2 169759711 HCALMUQRYRAEJS-CYBMUJFWSA-N 379.214 1.132 0 50 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C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 265496715 WYEJBQSKMZWGQG-INIZCTEOSA-N 394.479 1.052 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CCO1 275771061 SFRSFLRHRSICFU-CYBMUJFWSA-N 378.322 1.702 0 50 GDAA O=C1CCCCN1CC(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 283029550 OXCVMOWUTHCRNB-LBPRGKRZSA-N 376.438 1.711 0 50 GDAA O=C(O)c1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 299752596 URLUHPVDTWJOTM-QMMMGPOBSA-N 381.360 1.789 0 50 GDAA Cc1cc(NC(=O)CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n([C@@H]2CCS(=O)(=O)C2)n1 328882055 WWWZPSQZFOHMQX-ZOFXXKQRSA-N 392.525 1.468 0 50 GDAA Cc1conc1NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C 349474858 WKUINTVRSUEWIC-GFCCVEGCSA-N 385.467 1.957 0 50 GDAA CN1CCC2(CCN(S(=O)(=O)c3ccc(C(=O)O)c(Cl)c3)CC2)C1=O 365677364 YUSIHIRJMPNBPF-UHFFFAOYSA-N 386.857 1.671 0 50 GDAA CCO[C@@H]1C[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C12CCOCC2 368659251 MXENGMNECGXHDI-NWDGAFQWSA-N 382.379 1.755 0 50 GDAA Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)nn1 377739102 DXSMIPXVQWHKAT-MRXNPFEDSA-N 378.440 1.224 0 50 GDAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC[C@@](O)(CO)CC1 584898879 AQUDWHWMWZBXKD-NRFANRHFSA-N 375.513 1.612 0 50 GDAA C[C@]1(NC(=O)N2CCCN(Cc3ccccc3F)CC2)CCS(=O)(=O)C1 670454206 YBQVCEWEQHVUSZ-SFHVURJKSA-N 383.489 1.620 0 50 GDAA Cc1c(C(=O)N2CCC[C@@H](CNC(=O)c3cscn3)C2)cnc2ccnn12 952972115 NXKQDDRQPVGLGS-ZDUSSCGKSA-N 384.465 1.776 0 50 GDAA O=C(Cc1cccs1)NC[C@H]1CCCN(C(=O)c2nc3ncccn3n2)C1 952982921 RRJPOFJCUPVELM-CYBMUJFWSA-N 384.465 1.397 0 50 GDAA O=C(Cc1ccc(NC(=O)c2cn(C[C@@H]3CCCNC3)nn2)cc1)NC1CC1 952988530 JJPPHHBWILMAII-OAHLLOKOSA-N 382.468 1.351 0 50 GDAA Cc1ccc(NC(=O)N2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@]3(CN(C)C)C2)cc1 1772804663 CIWCOCBGPDPLIP-DYESRHJHSA-N 396.495 1.886 0 50 GDAA Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@@]3(CN(C)C)C2)n1 1772808478 RLXJSSJGNQAEEK-LAUBAEHRSA-N 397.527 1.276 0 50 GDAA COCC1(c2ccccc2)CN(c2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)C1 1857527162 UOBNSBIRNYBCGA-RTBURBONSA-N 397.523 1.382 0 50 GDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4nn[nH]c4c3)C1)CC2 1857668036 XLTDWXZKYRPRRP-FQEVSTJZSA-N 393.451 1.640 0 50 GDAA O=C(CCc1c[nH]c2ccccc12)N1CCOC[C@H](C(=O)N2CCOCC2)C1 1857675630 BNBXMAZWKMMDNK-QGZVFWFLSA-N 385.464 1.434 0 50 GDAA Cn1nc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)nc1Cl 1857688712 XTICSJMYIAXICT-KRWDZBQOSA-N 375.816 1.358 0 50 GDAA COc1cc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2-c2cc[nH]n2)CO3)ccc1C 1857706856 TWIITUXRWJLKHS-FQEVSTJZSA-N 394.435 1.800 0 50 GDAA CC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1C 1857721643 ZHWTVBZSMVEFRR-LPHOPBHVSA-N 387.484 1.712 0 50 GDAA CCC[C@]1(CO)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1O 1875239998 CPLIWSRBQJOPQY-FCHUYYIVSA-N 392.540 1.743 0 50 GDAA CCCc1nc(C(=O)N[C@H]2CC[C@H](C(=O)NC3CCOCC3)C[C@@H]2O)cs1 1875249471 VEQLESLJJXJICR-NOLJZWGESA-N 395.525 1.650 0 50 GDAA CCN1CCN(CCC(=O)N2C[C@H](c3ccc(OC)cc3)[C@@H](C(=O)O)C2)CC1 1875286252 MMVKYGVAIQDVID-MOPGFXCFSA-N 389.496 1.349 0 50 GDAA CCc1cc(N2CCC(NC(=O)NCc3ccc4c(c3)C(=O)NC4)CC2)ncn1 1875319029 XJMLLJVIVWFPJU-UHFFFAOYSA-N 394.479 1.751 0 50 GDAA C=CC(=O)N(Cc1cn(C)nc1I)[C@H]1CCCC[C@H]1O 1875325335 VYRCYBSRQZYDBM-NWDGAFQWSA-N 389.237 1.843 0 50 GDAA CCC[C@@]1(CO)CN(C(=O)c2ccc(OC)c(N3CCOCC3)c2)CC[C@@H]1O 2100473580 GMJFIUWJRMQDGX-FPOVZHCZSA-N 392.496 1.517 0 50 GDAA Cn1nnc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)c(Cl)c3)CCO2)n1 2100483567 FKSOLOGOVLAFPW-HNNXBMFYSA-N 376.848 1.677 0 50 GDAA COCCOc1cc(O)cc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c1 2356147083 HILHINOTFDVGKO-ICSRJNTNSA-N 378.469 1.336 0 50 GDAA CC(C)N1CCC[C@]2(CCCN2Cc2cnc(N(C)CC(=O)O)nc2)C1=O 2356169561 UQKXEXVVBGFAGA-LJQANCHMSA-N 375.473 1.363 0 50 GDAA CC(=O)N(CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O)Cc1ccccc1 1080420 KFJVMATXPJKOPG-UHFFFAOYSA-N 392.419 1.353 0 50 GDAA CCn1ncc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1C 2732783 QISSGFPYQJRKFL-CQSZACIVSA-N 394.501 1.293 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccn(C)c2)CC1 11815275 TVUZODQAROAHAP-HXUWFJFHSA-N 377.529 1.934 0 50 GDAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12317989 CJPTYIYDVUMTLU-MRXNPFEDSA-N 381.432 1.908 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccc2)c(F)c1 12477376 DNPLFLSKIINGTM-HXUWFJFHSA-N 399.466 1.884 0 50 GDAA COc1cc(CNCCOC(C)C)ccc1OC[C@@H](O)CN1CCC(O)CC1 15062828 UQKSLEWYZMAEAR-IBGZPJMESA-N 396.528 1.406 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 16671339 UGCVUTZAGBRERN-UHFFFAOYSA-N 383.735 1.845 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)nc(N)n1 20203529 ZQWATZWIRSWVPY-MSOLQXFVSA-N 381.480 1.518 0 50 GDAA Cc1nn(C(F)F)cc1S(=O)(=O)N(Cc1cnn(C)c1)Cc1cnn(C)c1 20602623 DLUJSQNJYFEOPF-UHFFFAOYSA-N 399.427 1.445 0 50 GDAA Cc1nonc1CN(C)Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 20909375 POBBVPHEMCEDLI-UHFFFAOYSA-N 384.440 1.439 0 50 GDAA CCN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 23375484 DIKFFBQVRRMEFU-GOSISDBHSA-N 396.557 1.383 0 50 GDAA Cn1ncc(N2CC[C@@H](CNC(=O)CCc3cn4ccccc4n3)C2)cc1=O 23399728 VZTOFWUBHPNAEA-HNNXBMFYSA-N 380.452 1.003 0 50 GDAA COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3nnc(C)n3n2)C1 32104099 LXEMXTAHFOLBQK-MRXNPFEDSA-N 380.452 1.974 0 50 GDAA CCN1C[C@H](C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)CC1=O 32346386 VOPBPRUUISAREG-MRXNPFEDSA-N 375.469 1.216 0 50 GDAA O=C(Nc1ccc(F)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528097 AXZUDOGMWDASEH-UHFFFAOYSA-N 386.431 1.806 0 50 GDAA CCOC(=O)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 39447006 NEUZCJYHQWYVOA-INIZCTEOSA-N 399.513 1.241 0 50 GDAA O=S(=O)(c1ccc(F)cc1F)N1CCC(n2cc(CCCO)nn2)CC1 63833107 FNPWFLODYFZMSS-UHFFFAOYSA-N 386.424 1.507 0 50 GDAA CN1CCC(O)(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 67489642 IZCREEYUTYABJC-QFIPXVFZSA-N 389.540 1.019 0 50 GDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)N2CCN(C)CC2)[C@H](c2ccc(OC)cc2)N1C 67787219 GVOFJYDDRZYTRR-WFXMLNOXSA-N 389.496 1.695 0 50 GDAA CCn1c(CC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nn(C)c1=O 67834246 YBUUASRNVYVESI-KRWDZBQOSA-N 386.452 1.223 0 50 GDAA C[C@H](O)CN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67982514 DHRVZNFYMAAGNM-YOCVDRLZSA-N 398.507 1.958 0 50 GDAA CN1CCC[C@@H](C(=O)N2CCc3c(nc(-c4cccnc4)nc3N(C)C)C2)C1 72165789 UIUOWSYCAYQNET-MRXNPFEDSA-N 380.496 1.831 0 50 GDAA CCCCc1nn(CC(=O)N2CC[C@H](COC)C2)c(=O)n1Cc1ccccc1 77284885 WVLGKPBXRLKXMQ-SFHVURJKSA-N 386.496 1.931 0 50 GDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cccc(-n3cccn3)c1)C2 77380217 FPJMYNSLKQOPOL-UHFFFAOYSA-N 378.436 1.735 0 50 GDAA NC(=O)COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 95361171 WVOWIZIUXHHVGA-MAUKXSAKSA-N 387.480 1.266 0 50 GDAA CC(=O)N1CCCn2nc(CNC(=O)c3ccccc3-c3nc[nH]n3)cc2C1 97402378 XGXLKOORFBGJQI-UHFFFAOYSA-N 379.424 1.350 0 50 GDAA O=C1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CN1CCN1CCOCC1 117857524 LJTCFPFPVUXNQN-QGZVFWFLSA-N 389.521 1.545 0 50 GDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 133498428 SPJHKNWWLXLHTB-QYZOEREBSA-N 381.411 1.679 0 50 GDAA Cc1c(C(=O)N2CCC(Cn3ccnn3)CC2)nnn1Cc1ccc(F)cc1 194759511 NQPKZDDPQRENPI-UHFFFAOYSA-N 383.431 1.918 0 50 GDAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)CNC(=O)c1cccc(O)c1 225410800 CAVTUCWQBNTJAG-CYBMUJFWSA-N 379.457 1.884 0 50 GDAA COc1ccccc1NC1CCN(Cc2nccn2S(=O)(=O)N(C)C)CC1 225639130 MEQFIZQFXYOGGR-UHFFFAOYSA-N 393.513 1.623 0 50 GDAA CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc3c(c2)CCNCC3)CC1 241644263 PPOWHIUBBHUUTB-UHFFFAOYSA-N 379.526 1.261 0 50 GDAA O=C(NC1CC1)c1cn([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)nn1 244715783 LCEUSPRHZNUOCK-GASCZTMLSA-N 389.481 1.633 0 50 GDAA C[C@@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 266305833 SDZYARCOUWJNAH-RDJZCZTQSA-N 398.467 1.141 0 50 GDAA O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1C[C@]12CCOc1ccccc12 285738699 ISMCDFPBJQBFML-LIVBEALHSA-N 390.505 1.800 0 50 GDAA O=C(O)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 299748125 GDBDAHZXEBDIQH-LLVKDONJSA-N 388.207 1.789 0 50 GDAA COc1ccnc(CN2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c1 328606705 SMHMXNFRFNERBZ-WMZOPIPTSA-N 385.468 1.055 0 50 GDAA C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 332026105 UATLVKLJKXPEGK-KWQFWETISA-N 388.287 1.444 0 50 GDAA CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 378321020 WERQZRVYWJEXPV-RDJZCZTQSA-N 379.505 1.931 0 50 GDAA COc1ccc(-c2noc([C@H](C)NC(=O)N3CCC(O)CC3)n2)cc1OC 534637015 MWZFUMBOVRPYKS-NSHDSACASA-N 376.413 1.981 0 50 GDAA COc1ccc2cc(S(=O)(=O)NCCCN3CCC[C@H](O)C3)ccc2c1 670438918 YVNDMAAYMAXPIE-KRWDZBQOSA-N 378.494 1.974 0 50 GDAA O=C(c1ccc(-c2cccc(N3CCNCC3)c2)cc1)N1CC[C@H](O)[C@@H](O)C1 670469823 MDPWXFOJZXUHOP-SFTDATJTSA-N 381.476 1.331 0 50 GDAA C[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(-c2ccccn2)no1 670471878 HUBRGYLCNXREKV-NSHDSACASA-N 379.376 1.978 0 50 GDAA Nc1ncccc1CN1CCOC2(CCN(C(=O)CCn3cccn3)CC2)C1 827921436 XYBXUKWQKUIAFK-UHFFFAOYSA-N 384.484 1.144 0 50 GDAA Cc1ncc(CN([C@@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)s1 886044689 VVAWDTFNYTWQTG-CYBMUJFWSA-N 383.499 1.142 0 50 GDAA Nc1ncc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)c(-c2ccccc2)n1 1076048036 JJPJABUWPMBUCS-CVEARBPZSA-N 377.408 1.303 0 50 GDAA CCn1c([C@@H](C)O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1352646360 AASKDGGLVLWJNF-GFCCVEGCSA-N 383.449 1.001 0 50 GDAA O=C(N[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1O)c1cnccn1 1565505695 BPAXTVPZOCZADX-HKUYNNGSSA-N 378.436 1.028 0 50 GDAA CCn1cc(CN2C[C@H]3COC[C@@H]2CN(C(=O)Cc2cccc(F)c2)C3)cn1 1704310153 PNTYVEWAGIOIGY-QUCCMNQESA-N 386.471 1.944 0 50 GDAA CC(C)n1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CC3CCC2CC3)nn1 1775992270 QJDABNGEKLMWAI-BACDZXNISA-N 389.500 1.643 0 50 GDAA CC[C@H](C)[C@H](C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525730 SIKCBULJFDIBRU-IFXJQAMLSA-N 396.499 1.917 0 50 GDAA O=C(c1ncccc1O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857687462 RYLSFHHWZPLBCB-FPOVZHCZSA-N 397.475 1.826 0 50 GDAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)c3nc[nH]c3C(=O)O)CC1)OCC2 1857688657 VKFVYKFZWLPTJT-UHFFFAOYSA-N 391.405 1.572 0 50 GDAA COC1(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)CCNCC1 1857701535 MZWMCIBRERXGFG-HXUWFJFHSA-N 386.496 1.635 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCC4(CCCO4)CC3)CC2=O)s1 1857723080 WIEWPZZFRKKWCE-ZDUSSCGKSA-N 394.497 1.599 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC2(CC1)NC(C)=NC2=O 1857730726 ZOLYXLBHQMARCA-UHFFFAOYSA-N 384.465 1.686 0 50 GDAA Cn1nccc1[C@H]1CN(c2cncc(C(N)=O)n2)CCN1Cc1ccccc1 1875299457 LOGZRSWZBXQLPU-GOSISDBHSA-N 377.452 1.373 0 50 GDAA CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350656 WCCOUNKBAZZYKL-UHFFFAOYSA-N 379.380 1.094 0 50 GDAA Cn1cncc1CC(=O)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402823 MHUCJNGELGUTLA-KFKAGJAMSA-N 379.464 1.782 0 50 GDAA CCn1nc(CC(=O)NC)nc1[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 2100483578 FYUPCGVHQGYNDU-MOPGFXCFSA-N 385.468 1.636 0 50 GDAA CCOC(=O)C1=C(CN[C@H](CO)c2cccc(Cl)c2F)NC(=O)N[C@@H]1C 2325699968 HHGMBWSCXNWLMJ-NOZJJQNGSA-N 385.823 1.621 0 50 GDAA CC1(C)[C@H](CN)C[C@@H](C(=O)N2CCc3ccc(Cl)c(F)c3C2)S1(=O)=O 2325780104 HOLZWZWXYXNWNB-FZMZJTMJSA-N 388.892 1.904 0 50 GDAA CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCN(C)C(=O)c1ncc(F)cc1F 2325794353 ZEGNASPUJPVSED-INIZCTEOSA-N 398.454 1.831 0 50 GDAA CCn1cc(CN[C@H](C(N)=O)c2ccc(Br)cc2F)c(O)nc1=O 2325852776 SFZCXSVNYXDMMJ-LBPRGKRZSA-N 399.220 1.187 0 50 GDAA O=C(NCCc1ccc2ncccc2c1)C(=O)N1CC[C@@H](Nc2ncccn2)C1 2325860297 BMQHTXFHBJJXOI-QGZVFWFLSA-N 390.447 1.397 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCCCn2cccn2)CC[C@H]1NC(=O)NC(C)(C)C 2356148523 CRGYAIGXYVQIOK-ARFHVFGLSA-N 379.505 1.671 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@@H]4CC[C@H](C3)[C@H]4N)OCC(=O)N2C2CC2)cc1 2356170111 VKXNYNPBIVHNBO-UGSUJBKMSA-N 399.491 1.322 0 50 GDAA COc1cc(OC)c2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1 2122536 WFJQJFIHGGOCHT-UHFFFAOYSA-N 388.420 1.385 0 50 GDAA biogenic COCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 2432148 PURRBGSPGJRNFL-UHFFFAOYSA-N 394.884 1.874 0 50 GDAA Cc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 2766862 JJGLDZUABHRMDJ-OAHLLOKOSA-N 382.507 1.949 0 50 GDAA CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)O 6645519 NVRXRJHRMXPAGC-WFASDCNBSA-N 386.445 1.452 0 50 GDAA O=C(O)[C@@H]1CCCN1C(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 6658590 UWACIRVCEMTNJJ-KVULBXGLSA-N 399.447 1.572 0 50 GDAA Cn1c(=O)[nH]cc(CCN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1=O 67820495 QOJOFLTXLLRYHU-UHFFFAOYSA-N 387.390 1.343 0 50 GDAA O=C1NC(c2ccccc2)=N[C@@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F 20069790 IQWGQXDBNMOLSF-HNNXBMFYSA-N 383.351 1.800 0 50 GDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)n1 65364544 YFSQJAXKRBPCAH-UHFFFAOYSA-N 391.497 1.736 0 50 GDAA COCCN1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CC1 252483692 FGYYKZJAOZEDCV-UHFFFAOYSA-N 378.498 1.804 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C2)n1 328609641 FLCDSQNJHRYIMV-KRWDZBQOSA-N 393.421 1.146 0 50 GDAA Cn1ncc(NC(=O)c2ccc3c(c2)OCCO3)c1C(=O)NCc1ccco1 2793811 HWWPZLKXVXCJTC-UHFFFAOYSA-N 382.376 1.967 0 50 GDAA C[C@@H](C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)N1C(=O)NC2(CCCC2)C1=O 364418364 TWPWBILXYSSQLT-RNODOKPDSA-N 396.447 1.362 0 50 GDAA CCc1c(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)[nH]c(C)c1C(N)=O 440110303 QTBBCEHTROGEGZ-UHFFFAOYSA-N 396.451 1.950 0 50 GDAA CN(C)C(=O)COc1cccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1 363587968 FPTMDVJPRCQIAS-OAHLLOKOSA-N 385.468 1.984 0 50 GDAA O=C(N1CC[C@H](N2CCCC2)C1)C1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC1 363850287 CRLAARXWTAHJDE-KDURUIRLSA-N 388.556 1.550 0 50 GDAA COc1cccc(CN2CC3(CCN(C(=O)c4c[nH]c(=O)cn4)CC3)CC2=O)c1 77407932 TTYMWOSIERZXJU-UHFFFAOYSA-N 396.447 1.433 0 50 GDAA CC(=O)CCCC(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1 71777168 UVNJEUTVGWXXAO-UHFFFAOYSA-N 382.420 1.180 0 50 GDAA Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN3CCN(CCO)CC3)cc2c1 72475795 NPSJCZWHLOAORD-HXUWFJFHSA-N 384.524 1.614 0 50 GDAA O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cn(C2CCNCC2)nn1 237910008 JSWMHRVTNNOJNX-UHFFFAOYSA-N 379.428 1.443 0 50 GDAA O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCO[C@H](c2nn[nH]n2)C1 372071425 IVJNYKVUKBZWQA-KRWDZBQOSA-N 378.392 1.410 0 50 GDAA Cn1cc([C@@H](O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)c(=O)n(C)c1=O 372229103 SENYYCMJHFEMBY-HNNXBMFYSA-N 398.385 1.448 0 50 GDAA O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 376488374 PEDBIQUFIKZOLY-WMZOPIPTSA-N 379.501 1.757 0 50 GDAA C[C@H](NC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)C(N)=O 77439815 HSJKYLPHROQAKO-LBPRGKRZSA-N 399.838 1.344 0 50 GDAA C[C@H](N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1)C(F)(F)F 176690727 MUDGSZUFYLEAHT-JTQLQIEISA-N 383.392 1.037 0 50 GDAA O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@](O)(C(F)(F)F)CC1 287720807 FGVADNMGWDGVRE-ZDUSSCGKSA-N 397.191 1.917 0 50 GDAA CC(C)(C)c1ncc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)c(=O)[nH]1 82148228 FIGXVRCLLWMFRF-MRXNPFEDSA-N 378.436 1.973 0 50 GDAA CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnn1C 97742682 MJTGUIWDXAEUNM-INIZCTEOSA-N 392.481 1.322 0 50 GDAA O=C1CCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CN1CCc1ccccn1 91594651 ZIGGPCCMZSGGDH-UHFFFAOYSA-N 395.463 1.252 0 50 GDAA COc1ccc(CN2CC(O)C2)cc1OC[C@H](O)CN(C)Cc1ccccc1 95527398 FQPNMLOWVNSHTJ-HXUWFJFHSA-N 386.492 1.743 0 50 GDAA Cc1cc2cccc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC(=O)N(C)C)C4=O)c2o1 95509456 LMMYWRZUTWQXMI-JKSUJKDBSA-N 383.448 1.892 0 50 GDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccnc3N)cc2)CC1 95518612 XVIOWZVKYSPCKZ-UHFFFAOYSA-N 398.463 1.610 0 50 GDAA Cc1cc(=O)cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)o1 95512173 XLMBZJKZVDVCKR-MRXNPFEDSA-N 375.469 1.355 0 50 GDAA CC(=O)c1ccc(OCC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1 95365521 YLENJOZGUZTHSZ-INIZCTEOSA-N 388.420 1.192 0 50 GDAA COC1(OC)[C@@]2(Cl)[C@H]3C(=O)[C@@]4(C)[C@H]5C(=O)[C@H]3[C@@]1(Cl)[C@@]5(Cl)[C@@]24Cl 239321949 IYKMPUJZXOUTKN-UGJGPBHPSA-N 386.058 1.947 0 50 GDAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)CN(C)C)CC2)c1 95496977 TXBKTXUGOIKAJL-UHFFFAOYSA-N 389.496 1.863 0 50 GDAA CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cn1cnnn1 91548317 VCVYRMCZWBQTPN-HNNXBMFYSA-N 376.848 1.761 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 95378183 SODGKUREVVYVFW-OAHLLOKOSA-N 381.436 1.436 0 50 GDAA CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)[C@H](C)CC)CC1)C(=O)O 248085050 RGPVJNHIMSQFEG-NEMWNAMBSA-N 383.533 1.898 0 50 GDAA biogenic CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)cc1 244874806 XHPLCULITLKMOU-QAQDUYKDSA-N 378.436 1.939 0 50 GDAA O=C1C[C@H]2[C@H]3[C@@H]4[C@@H]5[C@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@@]14Br 252427641 AOEBZBAYOJOSKS-JRLFIVBXSA-N 376.044 1.721 0 50 GDAA CCc1nc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1 252506871 WCGQNAZNWHWSOT-AWEZNQCLSA-N 396.444 1.283 0 50 GDAA O=C(O)c1cc2n(n1)CCN(C[C@H]1CN(Cc3ccccc3)CCCO1)C2=O 1940193656 ZTCOMRUDONECPQ-MRXNPFEDSA-N 384.436 1.328 0 50 GDAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 824216742 PZVSSORICDALOM-TXEJJXNPSA-N 380.422 1.926 0 50 GDAA CN1C(=O)C[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)[C@@H]1c1cccc(Cl)c1 269049508 UPHAJKZAKIPYDJ-KEYYUXOJSA-N 380.828 1.562 0 50 GDAA CC(C)/C=C/CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 820524721 UAVVUUWRBKAUTR-DWTRPJMMSA-N 375.517 1.952 0 50 GDAA CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N(CCO)CCc3ccccc3)ncn2)C1 864708453 YTHGETDHMUCLBE-PMACEKPBSA-N 399.539 1.673 0 50 GDAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(CCN(C)C)cc1)C2 1875394753 VUWAXDJQGOEQPV-BBWFWOEESA-N 382.464 1.766 0 50 GDAA CN(C)CCn1nnc2c1C[C@H](c1nc(-c3ccc4c(c3)OCO4)no1)CC2 952895579 XDEPVVKPDWTRJV-CYBMUJFWSA-N 382.424 1.891 0 50 GDAA Cn1c(C(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)cccc1=O 952894385 OEACQEWWMNPZHW-INIZCTEOSA-N 382.342 1.992 0 50 GDAA COC(=O)[C@H](Cc1cncs1)NC(=O)CN1CCS[C@H]2CCCC[C@H]21 1875327890 ONHWQRVOTLVHOH-ZNMIVQPWSA-N 383.539 1.703 0 50 GDAA O=C(COc1ccccc1)NCC1CCN(Cc2nc3ncccn3n2)CC1 952978494 LZCPZZRMGHASBJ-UHFFFAOYSA-N 380.452 1.532 0 50 GDAA Nc1nnc(SCC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)s1 952972743 GMXGIUVIZLZGIT-UHFFFAOYSA-N 393.542 1.937 0 50 GDAA C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)Cn1nc2ccccn2c1=O 225740839 SZWTVSXRWHMSJF-KKSFZXQISA-N 396.447 1.065 0 50 GDAA O=C1C[C@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)CN1Cc1cccnc1 1506415229 WVKCSTNENUNLIE-KRWDZBQOSA-N 396.447 1.398 0 50 GDAA Cc1cc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc2ccc(Cl)cc12 1529099547 BFWSWDCCTFJXNS-BLLLJJGKSA-N 383.901 1.885 0 50 GDAA COc1cc(CC(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc(OC)c1OC 1529105248 ZYSFIZNCTPPRIB-IAGOWNOFSA-N 386.448 1.712 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)no1 1772709326 FMEQNFWLZQESFN-OAHLLOKOSA-N 389.452 1.924 0 50 GDAA CC(C)NC(=O)c1cn(C2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)nn1 12038891 BBEWTAJOGMMQJZ-GOSISDBHSA-N 383.452 1.584 0 50 GDAA CCCS(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1C[C@H]1CCCO1 12317011 CNFFHVKYZBWRSU-QGZVFWFLSA-N 385.530 1.857 0 50 GDAA Cc1nc(-c2cnccn2)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1C 169752720 OYYYLIYDVQNRHL-UHFFFAOYSA-N 379.376 1.685 0 50 GDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccco3)C2=O)cc1OC 206240337 SXSBJXAZZWXTDJ-CQSZACIVSA-N 387.392 1.424 0 50 GDAA NC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cnn(-c3ccc(Cl)cc3)n1)C2 1857530069 XXFMKBJYZBKELP-CUOATXAZSA-N 398.810 1.636 0 50 GDAA CCc1ncc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cn1 1857687586 ZQLWKHSEZJXGOK-ICSRJNTNSA-N 398.511 1.841 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)Cc3ccc4ccccc4c3)C[C@H]2CO1 1857704387 PRNNCQZOAAAFCO-HKBOAZHASA-N 395.503 1.819 0 50 GDAA O=S(=O)(C[C@@H]1COCCO1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857709824 SXPFSOJZUBUBNP-HNNXBMFYSA-N 377.466 1.223 0 50 GDAA COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)cn1 1857714607 YLSKDZHGOVJKRL-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA CC(C)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C(=O)O 484603254 OVMNGMVSFBEHRP-HNNXBMFYSA-N 380.466 1.690 0 50 GDAA COCc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)cc1 266180301 XLRBUZVKSNNNDS-QGZVFWFLSA-N 384.436 1.227 0 50 GDAA O=S1(=O)CCNC[C@H]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 905690264 WRCWOARNHBEZEN-GFCCVEGCSA-N 386.417 1.169 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2cn[nH]c2)CC[C@H]1NC(=O)c1cc[nH]n1 2100534751 XFPYDEBOTKFOED-ZMSDIMECSA-N 388.472 1.185 0 50 GDAA O=C1CO[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)[C@@H](c2ccccc2Cl)N1 2100541151 XESNUITZUVFJRG-HXHAXSGFSA-N 378.856 1.658 0 50 GDAA Cn1cc(CN[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)c(-c2ccnn2C)n1 2325785757 MGQSSGFFKYMUJV-XGWLTEMNSA-N 389.891 1.600 0 50 GDAA CCn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)[C@H](C)C2)c(-c2cnn(C)c2)n1 2325786612 HLKBEPRUOFREMX-CHWSQXEVSA-N 379.486 1.247 0 50 GDAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)NCCn1cnc2sccc2c1=O 2325851802 JUAQXCZWVIRNQO-CQSZACIVSA-N 385.445 1.908 0 50 GDAA CCN1CCN(c2ccc(CNc3nc4ccccc4n4nnnc34)cn2)CC1 891863404 XECXVDDRBCDOLF-UHFFFAOYSA-N 389.467 1.822 0 50 GDAA CCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1 880033 YURVRRDMWYIDLO-UHFFFAOYSA-N 383.470 1.062 0 50 GDAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 2871286 GAPUNOCCFWSZAZ-NSHDSACASA-N 380.397 1.902 0 50 GDAA CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2 12211723 KVWCOEOLEGJSKM-SJLPKXTDSA-N 387.484 1.779 0 50 GDAA COc1ccc(N([C@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1Cl 12380640 KHBUMXFVYTZJBR-YPMHNXCESA-N 390.889 1.798 0 50 GDAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)cc1F 14751580 MTWQYYQKUKELGS-VQTJNVASSA-N 397.450 1.594 0 50 GDAA Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCCN3CCOCC3)c12 15000730 XWVIFHLWTLIXCR-UHFFFAOYSA-N 391.497 1.216 0 50 GDAA CCS(=O)(=O)c1ncc(CN2CCN(C3CCCC3)CC2)n1CCOC 19853757 XHYMDPXZMDLSKR-UHFFFAOYSA-N 384.546 1.383 0 50 GDAA COC(=O)c1sc(NC(=O)CN2CC[C@@](O)(c3ccccc3)C2)nc1C 65508335 BNFCOJVDWCODCW-SFHVURJKSA-N 375.450 1.770 0 50 GDAA Cc1cc(N2CCN(c3cc(C4CCNCC4)nc(C)n3)CC2)n2ncnc2n1 67691197 MAQYETOGZLXCJY-UHFFFAOYSA-N 393.499 1.325 0 50 GDAA CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)c1cnc3ccccc3c1)C2 67966205 RNIDYGHNLRFAAL-UHFFFAOYSA-N 393.447 1.890 0 50 GDAA CCCc1cncnc1N1CCC(N2CCC[C@@H](C(=O)NCCOC)C2)CC1 71780046 XIUHNDPTWPQMCD-GOSISDBHSA-N 389.544 1.873 0 50 GDAA COc1ccc(CCN2C[C@H](NC(=O)c3ccc(C)n(C)c3=O)CC2=O)cc1 72169547 IIVUFMLLLGFQTR-MRXNPFEDSA-N 383.448 1.276 0 50 GDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)n1 72474634 VHIARFWSDNPZRK-MSOLQXFVSA-N 388.493 1.042 0 50 GDAA Cc1nn(CC(=O)N[C@H](C)c2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 77285141 IJSIHXMRCIPTSS-CYBMUJFWSA-N 380.404 1.949 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)N)CC3)o1 77354061 VYINDLFDRNUOQB-UHFFFAOYSA-N 391.493 1.689 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@](CC2CC2)(C(=O)O)C1 91663830 PGINYUKJQTYOLC-GOSISDBHSA-N 380.466 1.750 0 50 GDAA CC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c(=O)[nH]c1C 95359232 NARQPWSAADZYHD-JKSUJKDBSA-N 385.464 1.749 0 50 GDAA COc1ccc([C@H](C(=O)O)N2CCC(N3CCNC(=O)CC3)CC2)cc1C 95367280 MIIFYVUHZPZEEU-LJQANCHMSA-N 375.469 1.416 0 50 GDAA O=C1CCC2(CCN(C(=O)c3ncccc3O)CC2)CN1CCCn1ccnc1 95525486 ZJHSXVURWWAYCQ-UHFFFAOYSA-N 397.479 1.919 0 50 GDAA Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)NCCCN)c2)cs1 97756387 IGASUSANJJXIIU-LLVKDONJSA-N 382.511 1.570 0 50 GDAA Cn1cc(N2CC[C@H](NS(=O)(=O)Cc3cc(Cl)ccc3F)C2=O)cn1 124177824 IMOSHLGLOMDYEO-AWEZNQCLSA-N 386.836 1.438 0 50 GDAA COCCn1nnnc1[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)CCO1 215374900 KYAHHMZMQIJBHK-GOSISDBHSA-N 383.456 1.138 0 50 GDAA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCC(=O)O 217721033 LWRNBTUXXYYREA-NSHDSACASA-N 377.349 1.133 0 50 GDAA biogenic CN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1ccccn1 219665835 IUCBHJMSFKBHKM-IAGOWNOFSA-N 376.482 1.460 0 50 GDAA NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 225759086 SOHZVDDTMVVBAV-JYILRKAJSA-N 378.450 1.933 0 50 GDAA COc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCc3ccccc3)[C@@H]2O)cc1 228894076 CZPFTCBIXZWFIZ-SLHNCBLASA-N 376.405 1.098 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC[C@@H](C(=O)O)C1 236709207 XMNJYWVYPHSFBG-PXAZEXFGSA-N 375.400 1.677 0 50 GDAA O=C([C@H]1CSCN1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 238014013 RGTMYPWUHDKVPE-DLBZAZTESA-N 375.542 1.105 0 50 GDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cn3ccsc3n2)[C@H](O)C1 299760953 PXBZJFPMYFQKPI-UKRRQHHQSA-N 375.454 1.366 0 50 GDAA CSc1ncccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 299762603 XODPJEPIFWNBNR-HZPDHXFCSA-N 376.482 1.774 0 50 GDAA CNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 299802217 SIEZPNJSQYAVAP-UHFFFAOYSA-N 376.866 1.149 0 50 GDAA CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)cc4c3OCC4)CCO2)o1 328626182 LLTALEHGZXKJAA-GFCCVEGCSA-N 399.856 1.983 0 50 GDAA CC(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 333433448 KNEWVQUWUVUDLW-IAGOWNOFSA-N 388.530 1.137 0 50 GDAA O=S1(=O)CCCN1C1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)CC1 333916630 NJDRJLJVJRWKRK-UHFFFAOYSA-N 384.523 1.753 0 50 GDAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCO2 375454567 WPSSLIFQRQKJBB-FTRWYGJKSA-N 376.453 1.648 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)ccc1F 454692234 LDFXZQMGDRCRLG-ZDUSSCGKSA-N 396.448 1.541 0 50 GDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(=O)n(-c2ccccc2)[nH]1 670434021 MLRKWYXFARTUPD-AWEZNQCLSA-N 380.404 1.793 0 50 GDAA COc1ccc(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)cc1OC 791759323 VRQSDBOOISQPDL-UHFFFAOYSA-N 379.381 1.571 0 50 GDAA CN(C)Cc1ccc(CN(C)C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 843784273 HBWQCPLDOMXQEK-SFHVURJKSA-N 388.493 1.437 0 50 GDAA CO[C@@H](CS(=O)(=O)Nc1nnc(-c2ccc(F)cc2F)o1)[C@H]1CCOC1 864096893 RGAKIVOXADNJPC-ZANVPECISA-N 389.380 1.808 0 50 GDAA CC1(C)CNC(=O)c2c(C(=O)NCC(=O)N3CCc4ccccc43)coc2C1 865108856 UEHXUDLIQHDXTQ-UHFFFAOYSA-N 381.432 1.911 0 50 GDAA CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 900074184 UTBMUUBFZUJAKO-OTYXRUKQSA-N 391.781 1.473 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1 1506408312 XELKQAOHTNZAJB-SFHVURJKSA-N 389.477 1.576 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(CCn3cncn3)CC2)c(Cl)cc1F 1506408409 SAJNNZKTFYOIGU-UHFFFAOYSA-N 387.868 1.386 0 50 GDAA NC(=O)COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1Cl 1529174318 TWVIJNRQHFAXBL-NVXWUHKLSA-N 375.856 1.635 0 50 GDAA CC(C)c1ccc(-c2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c2)nn1 1565526743 KWKWMDLYSOOZEA-IRXDYDNUSA-N 375.450 1.155 0 50 GDAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772806768 KKBURNSNOACUEX-OAHLLOKOSA-N 389.525 1.519 0 50 GDAA COc1ccc(NC(=O)N2C[C@@H]3CN(C(C)=O)C[C@@]3(CN(C)C)C2)cc1OC 1772811130 SIGLFJVAEBXRKD-YWZLYKJASA-N 390.484 1.578 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2c(C3CCC3)cnn2C)ncn1 1857532756 QPWSXLIKGBSDAN-HZPDHXFCSA-N 385.516 1.591 0 50 GDAA O=C1C[C@H](C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)CN1Cc1ccccn1 1857671312 DQKDQLNEYUNTCF-HNNXBMFYSA-N 379.464 1.658 0 50 GDAA COc1cccc2c1OCC(CN1C[C@H]3[C@@H](N(C)C)CS(=O)(=O)[C@H]3C1)=C2 1857692394 CEKJXJAWCFNXEM-BQFCYCMXSA-N 378.494 1.130 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCC[C@H]3CO)cc12 1857704192 HNHRTCVKIQBRJS-AWEZNQCLSA-N 378.494 1.755 0 50 GDAA Cc1ccc2nc(N3C[C@@H](C(=O)NC4(C(N)=O)CCCC4)CC3=O)sc2c1 1857710701 KWARLLKTEHBLOE-LBPRGKRZSA-N 386.477 1.872 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N[C@H]4C[C@H]5CO[C@H](C)CN5C4)CC3)nc2n1 1857728515 FBVHXGSENMEYBH-PVAVHDDUSA-N 399.495 1.725 0 50 GDAA Cn1ccnc1CN1CCC2(CC1)CN(C[C@H]1CCCCO1)C(=O)CCO2 1857730167 KZCOZHJLVBJMFU-QGZVFWFLSA-N 376.501 1.573 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cnn(C)c1 1857739505 ULAJHXKZASIJSH-PMACEKPBSA-N 384.480 1.889 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857741178 HCINXGNDOGYXLQ-WFXMFSGNSA-N 380.510 1.733 0 50 GDAA O=C1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C(=O)N1 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1.977 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc2c(c1)OCO2 4090244 HSXXKYCRIUTPKT-XLSPSMHOSA-N 392.404 1.581 0 50 GDAA O=S(=O)(c1cccs1)N1CCCN(S(=O)(=O)c2cccs2)CC1 4783292 NHJDMNBVCKUTTO-UHFFFAOYSA-N 392.549 1.895 0 50 GDAA Cc1ccccc1Cn1cc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)nn1 12049897 LBBAETVLRCHPFR-GOSISDBHSA-N 397.523 1.944 0 50 GDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@H]12 14543458 ZGZWAMQQCDAWJH-ZWKOTPCHSA-N 397.862 1.734 0 50 GDAA COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1 14952204 JCMJFPIVJYTTGJ-UHFFFAOYSA-N 395.463 1.911 0 50 GDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2=C(C)OCCO2)CC1 15075195 DDAFVCJWQKOCGE-GOSISDBHSA-N 393.528 1.884 0 50 GDAA O=C(Cc1cccnc1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 20208663 YPZUXOMRZGADIG-NHCUHLMSSA-N 398.482 1.547 0 50 GDAA Cc1ccccc1-c1noc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1 41152491 IFEKLCWILINECF-UHFFFAOYSA-N 378.454 1.333 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCCc3ccccc32)C1 65362879 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O=C(N[C@@H]1CC[C@@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2 2325821930 NHSUTEBXPKLUGA-HTQZYQBOSA-N 382.218 1.334 0 50 GDAA C[C@H]1CCCCN1C(=O)CNc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325893125 WBMFIIAFLKDFGR-SUMWQHHRSA-N 398.463 1.261 0 50 GDAA CCOc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OCC)c1OCC 998604 BGYBROPNADUVQA-UHFFFAOYSA-N 391.424 1.532 0 50 GDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 2475415 CIYMQMGETDSFSM-BZUPMSHVSA-N 385.416 1.842 0 50 GDAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)ccc21 4809414 XTQYJRZEAFCONU-UHFFFAOYSA-N 389.433 1.769 0 50 GDAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 112030428 SBLMQTDPAYSRRG-HUUCEWRRSA-N 397.397 1.818 0 50 GDAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(Cn4cnnn4)cc3)C2)CC1 20204302 OIFCVIXUMZUBJS-SFHVURJKSA-N 383.500 1.010 0 50 GDAA O=C1c2ccccc2C(=O)N1Cc1nn2c(CN3CCCCC3)nnc2s1 57524528 LUPTUCUILFNQPY-UHFFFAOYSA-N 382.449 1.968 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1 65363999 UUCAEMSNTHBZSQ-INIZCTEOSA-N 376.482 1.550 0 50 GDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2F)cc(-n2ccnc2C)n1 65361947 AJULOJZBRRZALQ-UHFFFAOYSA-N 390.444 1.809 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)C1 65362656 RZFYZLFDDOSRBR-GFCCVEGCSA-N 398.872 1.678 0 50 GDAA CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)o1 1428850 VMWBZZHEKGFLGF-UHFFFAOYSA-N 396.446 1.848 0 50 GDAA O=C([C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1)N1CCOCC1 253369293 ARRVTYCAEZIPNU-NXHRZFHOSA-N 378.494 1.867 0 50 GDAA CN1CC[C@H](N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H]1c1ccc(F)c(F)c1 253415727 OERURMULEJIYJE-KSZLIROESA-N 375.423 1.839 0 50 GDAA C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H](C)[S@@](=O)CC1 253426047 XNEGTBBHFXNUTH-URAKLDTCSA-N 392.569 1.750 0 50 GDAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 328621977 IDGNUHFZHZIDOQ-BLLLJJGKSA-N 399.856 1.653 0 50 GDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 71771023 XPKMLDNOAPHRJC-CYBMUJFWSA-N 378.454 1.615 0 50 GDAA CN(CCc1ccccn1)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72421311 ORTQXCRFVPCHLA-CQSZACIVSA-N 375.498 1.421 0 50 GDAA CN1CCC(n2ccc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)n2)CC1 373235562 ZYXCQMQBITYGQD-UHFFFAOYSA-N 383.431 2.181 0 50 GDAA CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3noc(C)c3CO)CC[C@H]21 72429615 DEOAJWJWOBKJEL-DZGCQCFKSA-N 381.498 1.682 0 50 GDAA COC(=O)COc1ccc(C(=O)N[C@H](CCO)Cc2ccccc2)cc1OC 239667147 BPCOJUBUMIAHAX-QGZVFWFLSA-N 387.432 1.971 0 50 GDAA O=C([C@@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCN(c2ccccc2)C(=O)C1 82160799 ODZQGDZTMGHRGD-OAHLLOKOSA-N 379.416 1.621 0 50 GDAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]2C=C[C@H]1C2 225792447 SBKWUPVMXCVGAR-NXNVCVFFSA-N 390.461 1.042 0 50 GDAA COc1ccc2c(c1C[C@H](O)C(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@@]21O 238747599 TWRMBVPWOVPEPJ-HFSMHLIXSA-N 388.416 1.789 0 50 GDAA biogenic CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](N)c1ccccc1)CC2 91452114 YNTHUNKMLRRSHY-GOSISDBHSA-N 381.480 1.722 0 50 GDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)nc(N)n1)CC2 92037040 YXAIPGMYKSDGHR-UHFFFAOYSA-N 383.500 1.915 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 239297008 DOLJWTINUGDGHB-MDMSPXHWSA-N 379.409 1.010 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 95392149 MQEWVCWXVVAOBR-GOSISDBHSA-N 375.469 1.831 0 50 GDAA CN(CCSc1ccccc1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91793794 YCIPCVFXSRBVHH-IAGOWNOFSA-N 391.537 1.322 0 50 GDAA CN1C(=O)[C@H](CC(=O)NCC2(c3cccc(F)c3)CCOCC2)N(C)C1=O 92078219 SENRMRKCAPWTDI-HNNXBMFYSA-N 377.416 1.273 0 50 GDAA Cc1cc(N2CCC(N[C@@H]3C=CS(=O)(=O)C3)CC2)nc(N2CCCC2)n1 95507950 RFBOXPBUCGZTNI-MRXNPFEDSA-N 377.514 1.254 0 50 GDAA O=C(NCCO)c1cn([C@H]2CC[C@@H](NC3C4CC5CC(C4)CC3C5)CC2)nn1 244811761 SKQWCOXOUIDAQD-PVJWCDSSSA-N 387.528 1.898 0 50 GDAA COc1cccc(S(=O)(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)c1 244763969 OYWAPONLDMSESR-HAQNSBGRSA-N 378.454 1.338 0 50 GDAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 299751910 SGVYVQRACIJFSO-AWEZNQCLSA-N 389.452 1.947 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 266363996 QCFFYVOYZUUVCW-ZDUSSCGKSA-N 377.422 1.841 0 50 GDAA CCS(=O)(=O)N1CCN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CC1 823413028 NIQIVTIBFLZCHO-SFHVURJKSA-N 397.516 1.847 0 50 GDAA Cc1nn(CCNC(=O)N2CCC[C@@H](c3nnc(CO)n3C)C2)c(C)c1C 584901085 OWTBBDWRFLDIKO-OAHLLOKOSA-N 375.477 1.018 0 50 GDAA O=C(NCCCc1ccc(Cl)cc1)N1CCN(CCn2cncn2)CC1 584886935 BZILTJBMACHHPZ-UHFFFAOYSA-N 376.892 1.892 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)N[C@H](Cn1cccn1)c1ccccc1 670454838 SKCSNHGEEIGOOM-LJQANCHMSA-N 391.479 1.353 0 50 GDAA COC(=O)c1ccc(C2CCN(Cc3nnc4c(=O)n(C)ccn34)CC2)cc1 1875281808 XZWCHVBXZIOUAA-UHFFFAOYSA-N 381.436 1.594 0 50 GDAA CN(C(=O)[C@@H]1CC[C@@H]2NC(=O)C(C)(C)[C@H]2C1)c1ccc(N2CCOCC2)nc1 1875295505 ZVAKHNPYIMTUQA-PVAVHDDUSA-N 386.496 1.822 0 50 GDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350567 RVOSBJMRTJECRH-NWDGAFQWSA-N 382.424 1.288 0 50 GDAA O=C([C@H]1CCOC1)N1CC[C@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324579 DTZKBYRWBBNQJS-LAUBAEHRSA-N 398.463 1.403 0 50 GDAA COc1ccnc(N2CCC(CNC(=O)c3cccc(-n4cnnc4)c3)CC2)n1 952964490 LXPZUUSOHBZISJ-UHFFFAOYSA-N 393.451 1.712 0 50 GDAA O=C(Cn1nnnc1N1CC[C@@H]([C@H]2CCOC2)C1)N1CCc2ccccc2C1 1337386034 MARQPYKHDWNMNW-MSOLQXFVSA-N 382.468 1.121 0 50 GDAA Cn1ccnc1N1CCC(NC(=O)[C@H]2CCCCN2Cc2cccnc2)CC1 1321273455 KCNLYJPSAQLTDA-LJQANCHMSA-N 382.512 1.955 0 50 GDAA Cc1nn(CC(C)C)c(C)c1CCc1nc(CS(=O)(=O)NC2CC2)no1 278119343 FUVDDZGLKVFXEY-UHFFFAOYSA-N 381.502 1.906 0 50 GDAA O=S(=O)(Nc1cn(Cc2ccccc2)nn1)c1cnn(CC(F)(F)F)c1 192624960 UMGVJRISDYPBLZ-UHFFFAOYSA-N 386.359 1.886 0 50 GDAA O=C(CCCn1cnc2ccccc2c1=O)N1CC[C@@]2(C(=O)O)CCCN[C@@H]2C1 1704338496 DBWRTIXYKCPDRI-UTKZUKDTSA-N 398.463 1.232 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H](C)n3cnnn3)CC1)OCC2 1704311588 CXXFSMQIEWBSES-ZDUSSCGKSA-N 387.440 1.342 0 50 GDAA COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 11708414 YQTBBZCKTZFYLW-SFHVURJKSA-N 393.528 1.472 0 50 GDAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O 14538479 LOMJHUVXRIHCHD-KKUMJFAQSA-N 397.397 1.949 0 50 GDAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](N2CCC(CO)CC2)CC3)o1 14744867 PKGKXJDORQTTIB-MRXNPFEDSA-N 386.496 1.813 0 50 GDAA OC[C@H](Cn1cnc2c(N3C[C@@H]4CC[C@H](O)C[C@H]4C3)ncnc21)[C@@H]1CCOC1 1857527875 QFVQXTQPHJULGE-QEOTZNIISA-N 387.484 1.069 0 50 GDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)n1 1857683047 QRMMOMNSKWWGMO-KRWDZBQOSA-N 388.472 1.210 0 50 GDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]2CO1 1857689141 GXWYQXSIAPAVHY-BZSNNMDCSA-N 397.479 1.127 0 50 GDAA Cc1nc(N2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)ccc1Cl 1857715625 AIRCQGADDKWPGF-XWESNNAXSA-N 378.904 1.705 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857727402 QTRDJISEURBZCY-HXUWFJFHSA-N 399.499 1.671 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2=O)CC1 101129600 QSIMOHNJKYWCSA-OAHLLOKOSA-N 391.424 1.110 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 328643250 YRJMBZXARRWQIB-GOEBONIOSA-N 381.502 1.477 0 50 GDAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 245637148 ACIQLKXDQBKOOY-JDFRZJQESA-N 379.888 1.701 0 50 GDAA N[C@H]1CCn2ncc(C(=O)N3CCN(c4ccnc5ccccc45)CC3)c2C1 2325795623 PVHVJLXDDIYBKT-HNNXBMFYSA-N 376.464 1.667 0 50 GDAA Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2N)C3)cs1 2332237529 FKOJKVHGHVRYDN-VXGBXAGGSA-N 397.547 1.437 0 50 GDAA Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1 629747 MDILXKMIYIZZBW-UHFFFAOYSA-N 385.449 1.849 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCOc1ccccc1 801705 ZIQGZKIBJUPBHB-UHFFFAOYSA-N 383.452 1.883 0 50 GDAA CCCN1C[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCC1=O 2356137070 QLRYAHPHBYUGAK-GOSISDBHSA-N 395.507 1.902 0 50 GDAA O=C(CCCn1cccn1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356152795 AVSWGHNZVAKWIJ-DBXWQHBBSA-N 388.512 1.950 0 50 GDAA COc1ccccc1-n1c(N)cc(=O)nc1SCC(=O)Nc1cc(C)on1 2775586 YWJJNLVBYIDDPD-UHFFFAOYSA-N 387.421 1.851 0 50 GDAA O=C(CCc1cnccn1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168201 TZPNLUNHTNTNRV-DBXWQHBBSA-N 386.496 1.696 0 50 GDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)CC1 106229941 BJWLVHCIISQFOO-MPGHIAIKSA-N 377.510 1.541 0 50 GDAA COCCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cccnc1)CC2 77425353 ATRMHQPNBDHHMT-UHFFFAOYSA-N 375.450 1.205 0 50 GDAA COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1F 283147223 DKRFJEOSDQRPJJ-LERXQTSPSA-N 382.363 1.764 0 50 GDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(c3ncccn3)CC2)C1 71745527 IOJXPAOCFDAVRN-GOSISDBHSA-N 380.496 1.869 0 50 GDAA NC(=O)NCCN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72150746 OOCOYFYGAPUVSK-KRWDZBQOSA-N 399.461 1.960 0 50 GDAA CC(C)N1CCC(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 368346747 FHJKUMKLFMJTBC-YLJYHZDGSA-N 387.528 1.851 0 50 GDAA CN(CCCn1ccnc1)C(=O)NC1CCC(N2CCCS2(=O)=O)CC1 370694862 SWJOGIFAHRLSOQ-UHFFFAOYSA-N 383.518 1.261 0 50 GDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)[C@H]1CCCNCC1)C2 72158566 KDFNNHPYJDBXLB-HNNXBMFYSA-N 380.496 1.879 0 50 GDAA CC(C)[C@H](C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)N1CCCC1=O 374438833 IAUMSISEXXOWLG-QGZVFWFLSA-N 385.530 1.050 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 237591128 ABYSVCVBHSTMDI-DIFFPNOSSA-N 375.400 1.871 0 50 GDAA CC[C@@H](NC(C)=O)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71746546 ZKQQMXBWEVCEPS-MRXNPFEDSA-N 382.468 1.404 0 50 GDAA CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 44378655 PUBYOBHIRQDURV-HNNXBMFYSA-N 380.514 1.049 0 50 GDAA O=C1CCCc2cc(S(=O)(=O)N[C@@H]3CCN(c4ccccn4)C3)ccc2N1 178995434 VTAWYVHAEIMQAF-OAHLLOKOSA-N 386.477 1.914 0 50 GDAA COCC(=O)N1CCC(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)CC1 91974073 UBDPPDXQWOHFAN-CQSZACIVSA-N 376.453 1.248 0 50 GDAA CC(=O)N1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1 95502673 GXEOKIOYWHMXFL-LJQANCHMSA-N 393.553 1.139 0 50 GDAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1cnnn1 95519842 KPBIITBUEUQTGG-KRWDZBQOSA-N 398.511 1.028 0 50 GDAA CCN(CC)C[C@H](O)COc1cc(CN2CCNC(=O)CC2)ccc1OC 95508681 YEVLINGDCGETIX-KRWDZBQOSA-N 379.501 1.099 0 50 GDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)CN2CCN(c3ncccn3)CC2)C1 95362004 MBCJZUSNHWRAHZ-QGZVFWFLSA-N 394.479 1.115 0 50 GDAA Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 95356714 MAFBEOYVVWQCIF-UONOGXRCSA-N 386.481 1.065 0 50 GDAA COc1ccc(CCNC(=O)CN2CCN(C3CCSCC3)CC2)cc1 244626529 FNKUSONBNBMMDV-UHFFFAOYSA-N 377.554 1.867 0 50 GDAA CN(C)Cc1nnc(C2CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)n1C1CC1 244626841 FTQZHQRZAKAQME-WOVMCDHWSA-N 375.517 1.932 0 50 GDAA COCc1n[nH]c(-c2cccc(-n3cc(C(=O)OC)c4n[nH]c(=O)c-4c3)c2)n1 253414253 WXDZYAXVJUZJAP-UHFFFAOYSA-N 380.364 1.384 0 50 GDAA O=C(N[C@@H](CO)[C@@H](O)c1ccccc1)NC1(CN2CCOCC2)CCCC1 534655918 QNNZUXSHFDINBW-ROUUACIJSA-N 377.485 1.025 0 50 GDAA C[C@@H](COc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)cn2CC1 1940198341 HJCLMHNZZZIGET-KRWDZBQOSA-N 384.480 1.681 0 50 GDAA Cc1nc(CCNC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)sc1C 378153443 SYGNFFZQMUSEKH-HNNXBMFYSA-N 380.514 1.725 0 50 GDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299792210 GQMXJXULXRRUGB-WGDDSDEBSA-N 376.409 1.436 0 50 GDAA CCCn1cc(S(=O)(=O)N2CCOC3(CCN(C(=O)CC)CC3)C2)cn1 823033475 WLAQSDUAVUFYAW-UHFFFAOYSA-N 384.502 1.085 0 50 GDAA CN(CCn1ccc2ccccc21)C(=O)NCCS(=O)(=O)N1CCCC1 584893774 XXUIWUYMZSWLTB-UHFFFAOYSA-N 378.498 1.708 0 50 GDAA C[C@]1(O)CCC[C@@H]1NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1875281454 BMEBDEHKFLZZBR-LPHOPBHVSA-N 377.510 1.707 0 50 GDAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2nc3cccnc3[nH]2)C1 1875293561 VEUQTOIGOKKAJM-SDDRHHMPSA-N 383.481 1.885 0 50 GDAA O=C(N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1)c1cc(O)nc2c1CCCN2 1875395225 RWHQZDQDEGCTSK-QLFBSQMISA-N 399.495 1.103 0 50 GDAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)N=c1ccn(CCN(C)C)[nH]1 1875393756 RPWOMPHDDOWTBG-ZAAXVRCTSA-N 386.500 1.016 0 50 GDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)CCc1nc(C)c(C)o1 1875401984 XTLHBHWPUXFGNL-LSDHHAIUSA-N 388.472 1.100 0 50 GDAA CCCO[C@H]1CCCN(S(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)C1 952968733 LFPOFKIKYJHRGS-LBPRGKRZSA-N 381.454 1.219 0 50 GDAA O=C(CN1CCCC1)N1CCC2(CC1)CN(c1ncc(Cl)cn1)CCO2 952982991 TXXRUJPFMGJWMH-UHFFFAOYSA-N 379.892 1.424 0 50 GDAA Cc1nccn1CCCC(=O)NCC1(NC(=O)[C@H]2CC2(F)F)CCOCC1 1775997044 SAFRXUXYCPFTAE-CQSZACIVSA-N 384.427 1.409 0 50 GDAA O=C(NCc1nnc2n1CCCCC2)N1CCN(CC2CCOCC2)CC1 172437661 LEEOSVVZEUMNIP-UHFFFAOYSA-N 376.505 1.258 0 50 GDAA COCc1nnc(NC(=O)CN2CCCN(C(=O)c3ccco3)CC2)s1 1772712535 RQPMHDUERANREX-UHFFFAOYSA-N 379.442 1.064 0 50 GDAA COCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 5660777 AKKRYGBGORVTDJ-UHFFFAOYSA-N 388.795 1.887 0 50 GDAA CCCNC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 12307844 DTTDFQUVQSKUSO-QGZVFWFLSA-N 387.528 1.994 0 50 GDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccc(Cl)cn2)CC1 12386466 VEIRYZIQQXVUIK-MRXNPFEDSA-N 393.919 1.230 0 50 GDAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCOC(C)C)C2 14542645 VEWLJEQPFDIRLR-HNNXBMFYSA-N 380.558 1.964 0 50 GDAA COc1ccc(/C=C/CN(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 14886048 PZFXACVNUCCNOD-SNAWJCMRSA-N 398.511 1.320 0 50 GDAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cnccn3)CC2)[C@H]1O 19146456 YOGNLGVGBFIIMY-RTWAWAEBSA-N 380.492 1.947 0 50 GDAA C[C@H](NC(=O)CCCn1nnnc1CN1CCOCC1)c1ccc(F)cc1 19741507 NPMLTTOHJKVJRQ-AWEZNQCLSA-N 376.436 1.302 0 50 GDAA CC(=O)NCC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857697292 NQFGIDQLLWPQAA-HXUWFJFHSA-N 381.436 1.187 0 50 GDAA CN1CCC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)O)cc2Br)C1 237121167 FWTBPIJBQNCSIM-LLVKDONJSA-N 391.287 1.862 0 50 GDAA CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 252552602 UXVCLCWZMDVGQK-LBPRGKRZSA-N 379.404 1.935 0 50 GDAA O=C(NCc1ccc(C2CC2)cc1)Nc1cnn(CC(=O)N2CCOCC2)c1 252507383 WJPNGWFLJFSVSE-UHFFFAOYSA-N 383.452 1.941 0 50 GDAA CCOC(=O)N1CCN(C[C@@H]2CCC[C@@H](NC(=O)c3cn(C)cn3)C2)CC1 2100545568 XBXFTDBBQRHCAJ-HZPDHXFCSA-N 377.489 1.483 0 50 GDAA CC(=O)N1CCOC2(CCS(=O)(=NC(=O)[C@H](C)n3cc(C)cn3)CC2)C1 2325775942 KNPGSCUVSKHVFM-VFUJPCTFSA-N 382.486 1.158 0 50 GDAA O=C(c1cnc(NCc2cc(-c3ccccc3F)on2)cn1)N1CCNCC1 2325793017 CAJZOMVYSVKNOP-UHFFFAOYSA-N 382.399 1.928 0 50 GDAA Cc1cccc(CNC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)n1 2325886747 HKZZFARZTSLJTJ-KRWDZBQOSA-N 392.415 1.081 0 50 GDAA Cc1c[nH]cc1C(=O)N1CC2(C[C@@H](NC(=O)C[C@H]3CCCCO3)c3nccn32)C1 2332237628 FECBKCBZSZSPLG-NVXWUHKLSA-N 397.479 1.891 0 50 GDAA COC(=O)c1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1 644829 FZYGNDQYKIRTSO-ZDUSSCGKSA-N 386.385 1.991 0 50 GDAA CCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O 1061724 SUAAMXKHGTWDOC-UHFFFAOYSA-N 387.461 1.682 0 50 GDAA C[C@@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 1238425 RRZHKDLBEVQEQL-CYBMUJFWSA-N 385.443 1.857 0 50 GDAA CN(CC(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)OCc1ccccc1 2172631 DVAMMJKEMDVYOJ-QGZVFWFLSA-N 385.420 1.173 0 50 GDAA CCn1ncc(NC(=O)c2noc3c2C[C@H](C)CC3)c1C(=O)N1CCOCC1 2803970 FKHYHURKGORXDK-GFCCVEGCSA-N 387.440 1.741 0 50 GDAA CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2900063 KIPACRKTCCFPJL-KGZWWPETSA-N 396.399 1.704 0 50 GDAA biogenic Cc1ccccc1Cn1c(=O)c2c(nc3n(CCO)c(C)c(C)n23)n(C)c1=O 8704218 FBUNGZCKDKJERS-UHFFFAOYSA-N 381.436 1.115 0 50 GDAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 11616143 ONAUMIOKHBNYGA-UHFFFAOYSA-N 376.434 1.904 0 50 GDAA CN(CCO)C(=O)c1cn([C@H]2CCCN(Cc3c(F)cccc3Cl)C2)nn1 12132257 GSQOWYANVSLEBL-ZDUSSCGKSA-N 395.866 1.972 0 50 GDAA Cc1csc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)n1 14978851 IFAZBCSMGCSOLP-KRWDZBQOSA-N 386.521 1.891 0 50 GDAA COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 16030755 GMQJPPWXEFICQA-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA O=C(Nc1cccc(O)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 16623063 SQWFBMHTSKJPLW-UHFFFAOYSA-N 380.397 1.805 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCC1(O)CCCCC1 19112813 GUVVEWAFBWENAV-KRWDZBQOSA-N 377.460 1.328 0 50 GDAA CCN(CC)CCN(C)Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 22913721 UKPYFWDKLZKNFT-UHFFFAOYSA-N 387.528 1.889 0 50 GDAA C[C@H]1CN(c2ccccc2)CCN1c1nc2nonc2nc1N1CCOCC1 39461239 SRYXAZIPZHNKEV-AWEZNQCLSA-N 381.440 1.565 0 50 GDAA COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55120292 BNMTUUGTMFAYIT-GOSISDBHSA-N 385.439 1.841 0 50 GDAA CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)CC1 65364273 IBYNESBBABHWGG-UHFFFAOYSA-N 382.482 1.806 0 50 GDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 67613209 VLEYJVLMMGUNDB-UHFFFAOYSA-N 384.465 1.482 0 50 GDAA Cc1ocnc1C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1 67784555 KEOUMHAYNKGFSP-UHFFFAOYSA-N 381.436 1.946 0 50 GDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCn3cnnn3)CC2)c1 67920651 BLKIXRGKCLULCC-UHFFFAOYSA-N 381.440 1.868 0 50 GDAA CCCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 71769341 HOMMFAHLBLWUGE-YQQAZPJKSA-N 393.509 1.134 0 50 GDAA CCN1CCN(CCN2CC3(CCN(CCCSC)CC3)OC2=O)CC1 72432202 JSQKQPXTCRWTJX-UHFFFAOYSA-N 384.590 1.664 0 50 GDAA CCn1c(-c2ccccc2)nn(CC(=O)NCCc2noc(C3CC3)n2)c1=O 77537192 AGHGVVPYOHNOIA-UHFFFAOYSA-N 382.424 1.351 0 50 GDAA CCn1cc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)cn1 91444488 JDZOTZJAAPACOP-UHFFFAOYSA-N 380.514 1.872 0 50 GDAA O=C1CC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1CCN1CCOCC1 92001784 AWSFYGYUGWXBFP-HNNXBMFYSA-N 396.451 1.651 0 50 GDAA CCc1cnc(C)nc1N1CCC(NCc2nc(-c3cnccn3)n[nH]2)CC1 96132117 GPDWYATYOFQRTA-UHFFFAOYSA-N 379.472 1.681 0 50 GDAA CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cccnc2N2CCOCC2)C1 170600809 VJCJECYVCWPPGE-CVEARBPZSA-N 390.484 1.905 0 50 GDAA CCN(C(=O)c1cccc(F)c1F)[C@H]1CCN(c2ccnc(N)n2)C[C@@H]1O 216455196 RVMMBOHINZPQJP-KBPBESRZSA-N 377.395 1.439 0 50 GDAA Nc1nc(CCC(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)cs1 218855928 WAWUNXUTHFPSKC-GOSISDBHSA-N 383.477 1.979 0 50 GDAA Cc1cc(C)cc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)c1 239653788 BLJOUXGTYDZURF-UXLLHSPISA-N 379.482 1.649 0 50 GDAA COc1cccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c1F 252536101 HPJAHVPABRJHLK-JOCQHMNTSA-N 384.415 1.884 0 50 GDAA O=C(Cn1ccc(O)nc1=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 253535350 MHBWZUFTOHTAKB-OHNRDTAOSA-N 380.404 1.126 0 50 GDAA Cc1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)c(C)o1 299782108 WVCSSGJCNURYBO-GOSISDBHSA-N 389.496 1.871 0 50 GDAA Cc1c([C@@H]2[C@@H](C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)CC(=O)N2C)cnn1C 329910215 VRLMMXNUIFUECG-ORECKGATSA-N 399.539 1.581 0 50 GDAA Cc1nc([C@H]2CCN(S(=O)(=O)c3nc(C)c(Br)s3)C2)n[nH]1 333890520 GUDWICQENHWAHI-QMMMGPOBSA-N 392.304 1.819 0 50 GDAA C[C@@]1(c2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2)NC(=O)NC1=O 363131176 HLORCXWGSXNMGR-BEFAXECRSA-N 383.408 1.369 0 50 GDAA C[C@@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CNC(=O)C1 377506310 ARGOACIKAWOPAZ-INIZCTEOSA-N 394.225 1.972 0 50 GDAA COc1cc(OC)cc([C@H](NS(=O)(=O)c2cnc[nH]2)c2nccn2C)c1 377653770 IMTMMSIPIKRXSB-HNNXBMFYSA-N 377.426 1.228 0 50 GDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1)c1ccccn1 408521413 STPOMPLSAVQCEO-HRRIWVOMSA-N 399.472 1.724 0 50 GDAA O=C(Cc1ccccc1OC(F)F)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 872262059 OBQOZZMOBFGUHM-ZBFHGGJFSA-N 395.406 1.614 0 50 GDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)CSc5nncn5C)(C4)C2)C3)n1 952970641 ARFFKPJCLMGOTB-SCQRFTTHSA-N 388.501 1.066 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CC[C@@]3(CCOC3=O)C2)(c2ccccc2)CC1 1353988087 NNAUIKNIAJDWLW-OAQYLSRUSA-N 382.460 1.898 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)C1 1506421632 RYQNXMHLXYECHS-CQSZACIVSA-N 379.438 1.718 0 50 GDAA COc1cc(OC)c2nc(N3CCN4C(=O)CN(C)C(=O)[C@@H]4C3)cc(C)c2c1 1704315143 OLOPTUKBWLWBCD-HNNXBMFYSA-N 384.436 1.050 0 50 GDAA COc1cc(-c2onc(N3CC[C@H](N(C)C)[C@@H](O)C3)c2C(=O)O)ccc1F 1704326466 XNJADFQRWQNSMM-STQMWFEESA-N 379.388 1.689 0 50 GDAA CC[C@@H](CC(F)F)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 1775991994 NVKLIHNYRHHMCF-KBPBESRZSA-N 398.454 1.858 0 50 GDAA CC1(C)C[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCCOC2CCOCC2)C1 1775996901 MGXXOCSUTOTMBD-OXQOHEQNSA-N 382.501 1.088 0 50 GDAA CNC(=O)C[C@H]1CN(C(=O)c2cc(Br)ccc2C2CC2)C[C@@H]1O 1857531091 DNLAYYGBWVFLSB-NHYWBVRUSA-N 381.270 1.896 0 50 GDAA Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC2)n1 1857698278 JQUQTNVFRUPYBZ-CQSZACIVSA-N 386.481 1.252 0 50 GDAA CC[C@]1(C(=O)NCCCOc2cccnc2)C[C@H]2CC[C@@H]1N2S(C)(=O)=O 1857732372 NQSDHXCICVZPCD-HFTRVMKXSA-N 381.498 1.559 0 50 GDAA Cn1nc2c(cc1=O)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CC2 1875260896 DTMSPNCFDABETQ-UHFFFAOYSA-N 383.383 1.487 0 50 GDAA NC12CCC(CC1)N(C(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccn1)C2 1875310741 AHLYEPWXMWLWBV-OZWAEMERSA-N 378.476 1.964 0 50 GDAA O=C(Cn1cncn1)N1CCC[C@@H]([C@H]2CCN(C(=O)Cc3cccnc3)C2)C1 1875322229 MQJDOGGLPXWHRI-MSOLQXFVSA-N 382.468 1.003 0 50 GDAA O=C(O)Cc1cn(C[C@@H]2CCCCN(C(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)C2)nn1 1875356022 RERHSRDYKVBOTQ-TXCZRRACSA-N 376.457 1.349 0 50 GDAA NC(=O)c1ccc(CN2C(=O)CC[C@@H](n3cc4c(O)cccc4n3)C2=O)cc1 1875358954 OGCAGHRCSBCVTL-MRXNPFEDSA-N 378.388 1.731 0 50 GDAA C=CC(=O)N[C@H](CNC(=O)[C@@H]1CCN(C)S1(=O)=O)c1ccc(C(C)C)cc1 1875385820 CEDLDOQTHMKNLK-SJORKVTESA-N 393.509 1.303 0 50 GDAA COc1cccc2c1OC[C@H](C(=O)N=c1[nH]c(N3CCOCC3)ncc1F)C2 2100554859 DAISOHILCYQTSS-CYBMUJFWSA-N 388.399 1.073 0 50 GDAA CN1CC[C@@H](N2CCC3(CC2)CO[C@H](CNC(=O)C2(C)CC(F)(F)C2)C3)C1=O 2325793179 JXSOEHPIWJDOCC-LSDHHAIUSA-N 399.482 1.640 0 50 GDAA CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 828099 QXWIOANXCUYJBF-KRWDZBQOSA-N 392.408 1.828 0 50 GDAA O=C(c1cc2ncccn2n1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356152594 QUXSUPKMTXQEPU-WHSLLNHNSA-N 397.479 1.630 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 2928252 XEFHDPJPNKMCQQ-QGZVFWFLSA-N 388.445 1.570 0 50 GDAA O=c1[nH]c(=S)[nH]c(O)c1[C@H](c1cccnc1)c1c(O)nc(=S)[nH]c1O 9010579 XJJQVSJIZSQPOQ-UHFFFAOYSA-N 377.407 1.577 0 50 GDAA Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H]4CCCN(CC(N)=O)C4)CC3)nc12 55385368 LCZWRYUUUJDDLN-MRXNPFEDSA-N 383.496 1.775 0 50 GDAA O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCN(CCO)CC1 20600441 CWSLLVRJKIVKJC-UHFFFAOYSA-N 386.496 1.704 0 50 GDAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCN(CCO)CC3)C2=O)cc1 67679211 RZHNNQFBBVHXFO-QFIPXVFZSA-N 389.540 1.273 0 50 GDAA CN(C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)c1c[nH]c3ccccc13)C2 67739740 RLECLTJARUBVQK-UHFFFAOYSA-N 394.479 1.702 0 50 GDAA O=CN1CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 11814331 SAHOHXBEJJKSNT-HXUWFJFHSA-N 375.513 1.576 0 50 GDAA CCC[C@H](C(=O)OCC)S(=O)(=O)NC(=O)c1cccc(C(=O)N(C)C)c1 253425624 VILSLDWKLLANGB-CQSZACIVSA-N 384.454 1.180 0 50 GDAA CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363175591 XGPJUSPQAUUZNT-ZWKOTPCHSA-N 385.468 1.883 0 50 GDAA CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(-n2nnnc2C)c1 363340869 ADPXZOZGTYJIRR-UHFFFAOYSA-N 380.408 1.738 0 50 GDAA CN(C)C(=O)c1ccc(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)o1 72129562 PLQJCIAOTJQJRB-OAHLLOKOSA-N 395.463 1.844 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1F 370507386 JJRDNTJYWQASSR-IUUKEHGRSA-N 390.419 1.910 0 50 GDAA CS(=O)(=O)c1cnc(NCc2n[nH]c3c2CCC3)nc1[C@@H]1CCCNC1 72457936 IPGOCVWROMLLGG-LLVKDONJSA-N 376.486 1.171 0 50 GDAA CNC(=O)C[C@@H]1COCCN1C(=O)CCCc1nc(-c2cccc(C)c2)no1 72412509 ZUGDCTQCEUIOAJ-MRXNPFEDSA-N 386.452 1.731 0 50 GDAA O=C(NCc1nc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cs1)c1ccccc1 375765609 WWPGLGBSAZZPMN-GOEBONIOSA-N 391.518 1.692 0 50 GDAA CSc1nc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cs1 77340650 ICEGRMLGAFDYGF-UHFFFAOYSA-N 377.495 1.690 0 50 GDAA Cc1ccc(N(C)CCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72116009 SOMOESOTRLYICD-UHFFFAOYSA-N 382.530 1.066 0 50 GDAA CCc1ocnc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCCOC)C2)CC1 71762543 RGKQFXZXRVWGPC-OAHLLOKOSA-N 392.500 1.316 0 50 GDAA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCCc2cc(F)cc3c2OCOC3)C1=O 499269480 USMXZPIQVCIZJA-HZPDHXFCSA-N 377.416 1.497 0 50 GDAA CCC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2OC)C[C@H]1NS(C)(=O)=O 82087007 MPPCVOZRXNJLHJ-GDBMZVCRSA-N 384.498 1.423 0 50 GDAA Cc1nc(S(=O)(=O)N[C@H]2CCCn3ncnc32)sc1Br 180106705 FRYRBUZAVYZQNM-ZETCQYMHSA-N 378.277 1.619 0 50 GDAA CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2C1 95371872 VVDTUNCWVHZRSV-CXAGYDPISA-N 396.538 1.357 0 50 GDAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 95367880 IGBLARLJKZZNQW-GXTWGEPZSA-N 375.860 1.796 0 50 GDAA O=C(NC1CCC1)c1cccc(S(=O)(=O)NCc2nc(C3CC3)no2)c1 95379824 HIBITAKHSBCKMI-UHFFFAOYSA-N 376.438 1.708 0 50 GDAA Cc1nc2cc(C(=O)N3CC[C@](O)(CN4CCOCC4)C(C)(C)C3)ccc2[nH]1 91269977 SFDZLVNBERLVEJ-NRFANRHFSA-N 386.496 1.807 0 50 GDAA CN(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 95513300 ZDUCBEUETOQYAQ-CQSZACIVSA-N 399.488 1.423 0 50 GDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@]2(CCCN(CCO)C2=O)C1 91469079 IQWWDDREUZERQV-HXUWFJFHSA-N 377.485 1.483 0 50 GDAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1F 92001506 XBSBKLGPGMUUGZ-YALNPMBYSA-N 380.460 1.624 0 50 GDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc3ncccc23)C1 244626570 FOBGXQGCJZISIY-OKILXGFUSA-N 381.436 1.641 0 50 GDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 299751800 RWBRNFNZQMJHHA-MJBXVCDLSA-N 377.441 1.485 0 50 GDAA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1 263585426 IKPJNVAKNVAELE-KRWDZBQOSA-N 383.404 1.575 0 50 GDAA biogenic Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1 1940196931 FPUFIRBHWZGSNA-UHFFFAOYSA-N 391.435 1.791 0 50 GDAA COc1cc(CN2CC(c3ccncc3)C2)ccc1OCC(=O)N1CCOCC1 824609162 SKBQTNWIYBAKTP-UHFFFAOYSA-N 397.475 1.927 0 50 GDAA C[C@@H](Cn1cc(C2(O)CC2)nn1)NC(=O)c1cnn(C)c1Cc1ccccc1 1875358533 ZGPQPZPEHUBMJY-AWEZNQCLSA-N 380.452 1.402 0 50 GDAA NS(=O)(=O)C[C@H]1CCN(C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)C1 1875330595 UWLUMODICSSPOC-VIFPVBQESA-N 395.407 1.465 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cnc(C3CC3)nc2)N1Cc1ccccc1 1875396554 MBFXSOQVIKUCHJ-ZHRRBRCNSA-N 396.491 1.736 0 50 GDAA Cc1cnn(CCC(=O)NC[C@@H](NC(=O)c2cccc3nsnc23)C2CC2)c1 1875354516 HCCWHTLVCADYGQ-MRXNPFEDSA-N 398.492 1.911 0 50 GDAA O=C(N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1)C1(O)CNC1 952895613 YFCXAENHMQYAEY-OAHLLOKOSA-N 382.342 1.103 0 50 GDAA COCCn1nc(C)c(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c1C 952845124 REHLDODCJWVNRH-JKSUJKDBSA-N 380.470 1.350 0 50 GDAA O=C(COc1ccc(F)cc1F)NCC1CCN(C(=O)c2cn[nH]c2)CC1 952861258 ZLQMJTOKFIZTOJ-UHFFFAOYSA-N 378.379 1.735 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)Cc3ccc(C)cc3)CC1)OC2 1775961929 JCSPDMJXCKVYIV-UHFFFAOYSA-N 382.464 1.685 0 50 GDAA O=C(CN1C(=O)CCOc2ccccc21)NCc1nnnn1-c1ccccc1 730497934 CPIYXHNFKPQGLX-UHFFFAOYSA-N 378.392 1.094 0 50 GDAA Cn1ncnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 225426147 REFQMVPDNYPRDQ-UHFFFAOYSA-N 397.888 1.186 0 50 GDAA Cn1ncc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1-n1cccc1 225766510 URPOIBWWMYVROT-INIZCTEOSA-N 393.447 1.621 0 50 GDAA CCN(CCc1nc2ccccc2[nH]1)c1cncc(C(=O)N2CCOCC2)n1 1529120582 DNGGEEAGAGJYJC-UHFFFAOYSA-N 380.452 1.894 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1c(F)cccc1Cl 1704359643 XHIDXZZBZIVUPB-IINYFYTJSA-N 378.853 1.044 0 50 GDAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 1704306056 UUJFEWMNRDJBLD-SFHVURJKSA-N 383.496 1.624 0 50 GDAA CC(C)CN1C[C@H]2CN(C(=O)c3[nH]nc(N)c3-c3ccccc3)C[C@]2(CO)C1 1772810573 LPGKRBDJXVUTHW-KKSFZXQISA-N 383.496 1.681 0 50 GDAA COc1ccccc1NC(=O)CN1C[C@@H]2CN(Cc3cccnc3)C[C@]2(CO)C1 1772805519 MQQSFBCFQADRIE-PGRDOPGGSA-N 396.491 1.455 0 50 GDAA C[C@@]1(NC(=O)c2ccncc2)CCOC2(CCN(Cc3cnc[nH]3)CC2)[C@H]1O 1772702687 UADUEZJDNMITKU-RBUKOAKNSA-N 385.468 1.109 0 50 GDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 11663983 DIUAZNUFFTVFEI-GOSISDBHSA-N 389.544 1.874 0 50 GDAA CN(Cc1cnn(C)c1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C)C1=O 11995491 RJMKUUSUYHLAKY-IBGZPJMESA-N 388.855 1.749 0 50 GDAA CCN(CCn1cccn1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 12204262 GJYPZIJFSUMMBL-HXUWFJFHSA-N 388.512 1.477 0 50 GDAA O=C(NCc1ccsc1)c1coc(CN2CCN(c3ncccn3)CC2)n1 12579888 RHXOBRFMMQAJGM-UHFFFAOYSA-N 384.465 1.778 0 50 GDAA Cc1cc(C)n2ncc(-c3nccn3CCCN3CCC[C@@H](C(N)=O)C3)c2n1 1857688192 WVCPUJMQROZZOY-MRXNPFEDSA-N 381.484 1.797 0 50 GDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N2CCC(c3nnc4ccccn34)CC2)n1 1857703643 QGJALPUTKOQYPI-SFHVURJKSA-N 396.499 1.691 0 50 GDAA CCN1CCN(CCOc2ccccc2-c2nccn2[C@H]2CC(=O)N(C)C2)CC1 1857707942 AMFUANAMRGJADI-SFHVURJKSA-N 397.523 1.970 0 50 GDAA COc1ccc(-c2noc(CNC(=O)[C@H]3CCc4ncnn4C3)n2)cc1OC 1857715313 MBLNRVMGPXSTEN-LBPRGKRZSA-N 384.396 1.224 0 50 GDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3nc(C4CC4)no3)CC2=O)s1 1857723397 DUMOHWMHPYVJJR-SNVBAGLBSA-N 392.441 1.004 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N(C)Cc2cc[nH]n2)C[C@H]1NC(=O)CCc1ccncc1 1875249337 VFEVAHBBJIFKNQ-QXAKKESOSA-N 399.495 1.696 0 50 GDAA CC(C)C[C@](C)(CN)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 225476826 OFFWGGIYBQBWPL-CQSZACIVSA-N 382.935 1.785 0 50 GDAA O=C1CCC[C@H](CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)N1 377313472 FJRUVLPXIUVCHI-CYBMUJFWSA-N 381.835 1.822 0 50 GDAA CCn1c(C)cc(C)c(C(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)c1=O 1704338063 KNLPGIINMVZDIG-NRFANRHFSA-N 381.480 1.977 0 50 GDAA COC(=O)c1ncoc1[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 2325784368 XQTIZBKMZCUBJH-VIFPVBQESA-N 397.229 1.701 0 50 GDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCC[C@H]5C[C@@H]54)ccc3C2=O)C(=O)N1 2325895202 AIJBZVMWTGYOLA-UVBJJODRSA-N 382.420 1.464 0 50 GDAA Cc1ccccc1C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 11971682 BTKJRTKOCOYBEL-UHFFFAOYSA-N 390.447 1.610 0 50 GDAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1 15822029 HLYTVGDOZPPPFY-UHFFFAOYSA-N 387.505 1.964 0 50 GDAA CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCOCC1 19858010 MEICQWBVOFQWMB-UHFFFAOYSA-N 386.404 1.330 0 50 GDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1 35904248 MMDZEVOCFQODEQ-UHFFFAOYSA-N 379.507 1.865 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cnn(C)c3C)CC2)C1 67713689 ZZBVAKPWOCGDBN-KRWDZBQOSA-N 377.533 1.168 0 50 GDAA O=C1CN(CC(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)C(=O)N1 67871996 XSSXQPFOKDMBMJ-UHFFFAOYSA-N 385.399 1.474 0 50 GDAA Cc1ncc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 67894384 FIFQUJMWSNAYSY-UHFFFAOYSA-N 378.436 1.738 0 50 GDAA CCN(Cc1noc(C)n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 72148052 UNFZLHFWONFPDH-MRXNPFEDSA-N 389.431 1.256 0 50 GDAA CN(C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)c4ccco4)CC3)OC2=O)C1 72438592 QFDAFUHZMNWRTF-MRXNPFEDSA-N 390.484 1.343 0 50 GDAA COc1ccc(Cc2nnc(NC(=O)N[C@@H]3CCN(C)C3=O)s2)cc1OC 82039592 YFYMIAVAASYHNZ-LLVKDONJSA-N 391.453 1.498 0 50 GDAA Cc1cn2cc(C(=O)N[C@@H]3CN(C)S(=O)(=O)c4ccsc43)ccc2n1 82115057 BOCFEZFJTJLFOG-GFCCVEGCSA-N 376.463 1.809 0 50 GDAA COc1cccc([C@@H]2CN(C(=O)c3ccc(CO)o3)C[C@H]2C(=O)O)c1OC 91451901 HSAMYNWXEOTNSI-UONOGXRCSA-N 375.377 1.730 0 50 GDAA CCCC[C@H](C)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91585654 WVIPXQMQZXMXPB-AWEZNQCLSA-N 382.530 1.871 0 50 GDAA O=C([C@@H]1CCCCO1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91849046 URLKUETZHAGVBH-KRWDZBQOSA-N 386.496 1.981 0 50 GDAA CCSc1ncc(CN2CC[C@@]3(O)CCN(C(=O)COC)C[C@H]3C2)cn1 95385189 MYDUJBJUQQBBMJ-CRAIPNDOSA-N 380.514 1.020 0 50 GDAA CC(C)[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1NS(=O)(=O)N(C)C 95506080 KCBRUOKLRXOJPL-RBUKOAKNSA-N 391.541 1.725 0 50 GDAA CCOC(=O)c1cnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n1C 170609235 GSYQNSRLUFVSDQ-UHFFFAOYSA-N 375.410 1.583 0 50 GDAA O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1Cc2ccccc2C1 186575883 STMOKPIHTIFUHA-UHFFFAOYSA-N 387.452 1.717 0 50 GDAA O=C(NCCc1cscn1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 215191204 NSVKNZLEDPRDHO-ZDUSSCGKSA-N 381.479 1.183 0 50 GDAA Cc1nc(CN2CCN(C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc34)CC2)no1 215979977 PTVUIYRWTRLUCB-LBPRGKRZSA-N 382.424 1.062 0 50 GDAA C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2cncc(F)c2)CC1 225523681 VCFVGDZWGIDMOF-HNNXBMFYSA-N 385.443 1.757 0 50 GDAA O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1C[C@@H](O)CN1 238013252 BAAYXAAFMQVLSJ-FOGDFJRCSA-N 378.782 1.172 0 50 GDAA CCOc1ccc(-c2noc(CCC(=O)N3CCO[C@@H](CC(=O)O)C3)n2)cc1 262404741 BBDNJYYLBFIPRV-HNNXBMFYSA-N 389.408 1.770 0 50 GDAA CC(C)S(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 263587496 HMPWPYXODZXCGF-UHFFFAOYSA-N 383.514 1.266 0 50 GDAA COCCN(CC(=O)O)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 299749815 LRYXDGOSQHJTOJ-GFCCVEGCSA-N 389.374 1.876 0 50 GDAA Cc1ccc(CC(=O)NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)cc1C 299791297 CKANRVKQKGCGTA-UHFFFAOYSA-N 376.482 1.134 0 50 GDAA COCc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c1 299799839 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NC(=O)COCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356142329 NSPTWLPLQKLFAU-OAQYLSRUSA-N 380.448 1.452 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)N(C)Cc2ccccc2)C1=O 2356142401 QLLFNRQMANTSOX-LJQANCHMSA-N 395.525 1.467 0 50 GDAA O=S(=O)(NCCNc1cc(-n2cccn2)ncn1)c1cccc(Cl)c1 65363022 KOXHXNAPXZKDEH-UHFFFAOYSA-N 378.845 1.706 0 50 GDAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1 65361986 KXXVNCIFYOROAT-ZDUSSCGKSA-N 375.450 1.887 0 50 GDAA CCc1cc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)ccc1OC 219429933 HEKQXNWWYIPGMC-RWKZGTHUSA-N 379.482 1.782 0 50 GDAA COC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3)c(=O)n2[C@H]1c1ccccc1 2769372 YCAUFPOOQZVRFO-KAKTVLCNSA-N 394.456 1.142 0 50 GDAA CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC[C@@H]2CCCO2)n1 2733097 NSRFYMZUJCAFCP-NSHDSACASA-N 396.398 1.964 0 50 GDAA O[C@@H]1CN(c2noc(C3CC3)n2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 71759735 KZAHYJZCBUZAOE-WOJBJXKFSA-N 397.523 1.747 0 50 GDAA CNC(=O)CN(C)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71721421 LXIYXIRCSSXGJQ-QFIPXVFZSA-N 379.460 1.738 0 50 GDAA Cc1ccc(NC(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1S(C)(=O)=O 365196212 JTSLLGWGJSAQEU-HOCLYGCPSA-N 392.481 1.372 0 50 GDAA CN1CCC(=O)Nc2cc(C(=O)NCCc3nnc4n3CCCCC4)ccc21 155167532 ZFHHFMWVEYXRIW-UHFFFAOYSA-N 382.468 1.755 0 50 GDAA C[C@@H](O)CNC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77391303 RZZXOWYLZFRHKF-LLVKDONJSA-N 376.800 1.444 0 50 GDAA Cc1ccc(N2CCC[C@H](NC(=O)c3cn(Cc4cccc(F)c4)nn3)C2)nn1 374590956 ZGGUIGDPHFTWEV-KRWDZBQOSA-N 395.442 1.963 0 50 GDAA CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O 378106159 XDRLLNUCYGYSTB-MRXNPFEDSA-N 399.451 1.423 0 50 GDAA CC(=O)NCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71774849 PMPYLXZRBUNTTB-CWFSZBLJSA-N 377.435 1.880 0 50 GDAA CCCNC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77455116 WPTMYPHWEZVPRU-QGZVFWFLSA-N 395.525 1.964 0 50 GDAA NC(=O)C[C@@H]1COCCN1C(=O)c1cnc(SCc2ccccc2)nc1O 72412474 BOIVJVPHAJBWJO-CYBMUJFWSA-N 388.449 1.191 0 50 GDAA Cc1cccn2c(CC(=O)NCC[C@@H]3CCCCN3S(C)(=O)=O)cnc12 215298186 NZDFBMHUTLBRCI-HNNXBMFYSA-N 378.498 1.506 0 50 GDAA CN(CCN1CCCCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 72152127 DOJXASCJVDZGMF-LJQANCHMSA-N 387.528 1.107 0 50 GDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)C[C@@H]3CCCCN3C)cc2C1 82098181 NZEQUZMJPJJOGB-INIZCTEOSA-N 376.505 1.261 0 50 GDAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)c3ccc(F)cc3O)C2)CC1 95496789 BHTQYAYMDIDHPM-HNNXBMFYSA-N 377.460 1.938 0 50 GDAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 426651385 UDQBMVWYXSSJSW-QZTJIDSGSA-N 376.457 1.580 0 50 GDAA O=C(Cn1ncc2ccccc2c1=O)N1CC[C@H](Cc2cccc(CO)c2)C1 92028762 ITLIQPGWXDIEJU-QGZVFWFLSA-N 377.444 1.980 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cn(C)nc4C)C3)CCC2=O)cn1 95530943 LJUYBQPEIXRUTL-NRFANRHFSA-N 396.495 1.872 0 50 GDAA Cc1nccn1[C@@H](C)C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 95513041 KJWIWIVJLFQSBJ-AWEZNQCLSA-N 396.495 1.788 0 50 GDAA CCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)c2ccc(F)cc2)c1 97463643 WRMVHFCRBCRSKY-KRWDZBQOSA-N 380.441 1.977 0 50 GDAA CCOc1ccc(C[C@H](CNC(=O)[C@H]2CSCN2C(C)=O)C(=O)O)cc1 299748350 HBEWGQRRMTZEQW-GDBMZVCRSA-N 380.466 1.366 0 50 GDAA CCN1C(=O)COc2cc(NC(=O)NCCN3CCCC[C@H]3CO)ccc21 299762106 RIBUDJSMUPZGNX-HNNXBMFYSA-N 376.457 1.400 0 50 GDAA O=C(NC[C@H](CO)Cc1ccco1)N1CCCN(C(=O)c2ccco2)CC1 584897545 BMPLWLDTEMUEOS-OAHLLOKOSA-N 375.425 1.581 0 50 GDAA CCCCCOC(=O)N[C@H](Cc1ccc(O)c(S(C)(=O)=O)c1F)C(=O)O 1875339433 JOHPMPHKVHSHFV-LLVKDONJSA-N 391.417 1.847 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)CC1CCOCC1)C2 1875396099 VNOIZDDXQNYJGQ-SFHVURJKSA-N 399.539 1.751 0 50 GDAA CN(C)C/C=C/C(=O)N(CC1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 1875376749 HFLXUJAGOPFMKT-VOTSOKGWSA-N 381.517 1.979 0 50 GDAA C[C@H](C(=O)N1C[C@H](NC(=O)c2ocnc2C2CC2)[C@H](O)C1)N1CCCCCC1 1875309120 RSECJKPYPQQAJO-VNQPRFMTSA-N 390.484 1.118 0 50 GDAA CCn1cncc1CN(C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875403879 INEZTVFCIREALC-MRXNPFEDSA-N 385.516 1.722 0 50 GDAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 888093762 RLBWTFYLMLPPEV-OAQYLSRUSA-N 399.495 1.430 0 50 GDAA NS(=O)(=O)c1cc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc2c1CCC2 1342281843 FEXORDHSPDJFPU-CQSZACIVSA-N 394.399 1.964 0 50 GDAA COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 170086649 WTHWPGRFMHOSDC-HTPOPCQBSA-N 394.512 1.767 0 50 GDAA CC(C)C(=O)Nc1nc(CC(=O)NCCN2C(=O)Cc3ccccc32)cs1 170613836 HYCWWYMDHWJDJG-UHFFFAOYSA-N 386.477 1.986 0 50 GDAA CN1C(=O)[C@H](CC(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)N(C)C1=O 1506395395 HLBALLZJXHGWKU-AWEZNQCLSA-N 386.412 1.090 0 50 GDAA Cc1ccc(C(=O)N2CCN(c3ncnc(C)c3C)CC2)cc1N1CCNC1=O 1506430755 YGKSAPBLTPUZFQ-UHFFFAOYSA-N 394.479 1.894 0 50 GDAA Cc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2)o1 1704339462 HHNLKJCVAVPDLB-IRXDYDNUSA-N 392.477 1.891 0 50 GDAA OC[C@@]12CN(Cc3ccc4c(c3)CCO4)C[C@@H]1CN(c1noc(C3CC3)n1)C2 1772819687 ZJPDYGMMNMEFJF-UTKZUKDTSA-N 382.464 1.813 0 50 GDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 14951230 WSFFPSRMWKPRRI-QGZVFWFLSA-N 384.484 1.635 0 50 GDAA CCOC(=O)CN(C)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 15072298 ACNBYHBMYNYSLE-KRWDZBQOSA-N 382.526 1.470 0 50 GDAA COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1NC(C)=O 19683654 VGHJHNKWYZQNKU-UHFFFAOYSA-N 392.433 1.903 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ncccc2O)cn1 1857687151 OUROBKBTYFSCQP-HKUYNNGSSA-N 385.468 1.589 0 50 GDAA O=C(NCCn1ccc2ccccc21)[C@]12COC[C@H]1CN(Cc1ncc[nH]1)C2 1857693779 MGIRVGHIVULDPM-DYESRHJHSA-N 379.464 1.629 0 50 GDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4cc[nH]c(=N)n4)C[C@]34CC[C@H]2O4)cc1 1857721352 LDMAKJJKIRCHON-BIZBXSGISA-N 379.464 1.611 0 50 GDAA CCCCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncn3C)[C@H]3CC[C@]2(C1)O3 1857721452 PJWSMJURMHHCCT-DKYLXPRQSA-N 389.500 1.529 0 50 GDAA COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1C 1704331292 QHNUDLJBFWPGTL-AEFFLSMTSA-N 383.466 1.630 0 50 GDAA O=C(N=c1ccn(C2CCCCC2)[nH]1)NCCS(=O)(=O)Nc1ccccn1 2325749860 DKUQYFIVFZGGBJ-UHFFFAOYSA-N 392.485 1.769 0 50 GDAA Cc1ncc(CN2C[C@H](CC(=O)NCCc3cc(C)[nH]n3)OCC23CCC3)cn1 2325785226 KYOKRRRTWILGOZ-IBGZPJMESA-N 398.511 1.689 0 50 GDAA Cc1sc(Cl)nc1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](C(C)C)N(C)C 2325872800 NJTGQFZQUSVBPI-LOWVWBTDSA-N 388.921 1.305 0 50 GDAA CN1CCC[C@@H]1C(=O)NCc1ccc(CNC(=O)c2ccn3ccnc3n2)cc1 2325876017 IKTPKFGCQBOPPV-GOSISDBHSA-N 392.463 1.370 0 50 GDAA O=C(N[C@@H]1CC2(CN(C(=O)CCc3ccco3)C2)n2ccnc21)c1ccncc1 2332237533 ABILVTUYPJVHTB-QGZVFWFLSA-N 391.431 1.916 0 50 GDAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899568 WDTFZVMCCWUMRG-UHFFFAOYSA-N 384.454 1.521 0 50 GDAA COc1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1 1153886 WDYYJGUROMLFAB-UHFFFAOYSA-N 395.506 1.880 0 50 GDAA Cc1ccccc1Cn1c(=O)c2c(nc3n(CCN(C)C)c(C)cn23)n(C)c1=O 10233396 BKZAPKZMFRCWMM-UHFFFAOYSA-N 394.479 1.376 0 50 GDAA CC(C)NC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nn1 11909820 XLLYEXDNVIGYRL-AWEZNQCLSA-N 395.460 1.581 0 50 GDAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12048684 ITEZUCRQNIBTCS-KRWDZBQOSA-N 395.504 1.722 0 50 GDAA O=C(Cn1nnnc1CN1CCCCCC1)NCCc1cn2ccccc2n1 12444981 MMIQVQNASNLCRI-UHFFFAOYSA-N 382.472 1.056 0 50 GDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)Cn1nnnc1CN1CCCC1 12710157 PEFRFBYBTBFUAP-UHFFFAOYSA-N 381.440 1.583 0 50 GDAA COc1cc(OC)nc(N2C[C@H]3[C@@H](C2)OC(=O)N3Cc2ccccc2OC)n1 14970561 TUBBUALHKHAUDG-DZGCQCFKSA-N 386.408 1.712 0 50 GDAA O=C(NCCN1CCCC[C@H]1CO)c1cn(Cc2ccc(Cl)cc2)nn1 15069064 JEFSRTHNNOPNLA-INIZCTEOSA-N 377.876 1.556 0 50 GDAA Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 20064313 IOSXGMHIHOKXNM-HNNXBMFYSA-N 382.464 1.518 0 50 GDAA COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 35800931 JJMDLQIZYRPIAH-UHFFFAOYSA-N 389.477 1.640 0 50 GDAA CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 56173878 GTYCTNXKXGQBDB-UHFFFAOYSA-N 381.498 1.825 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 65364096 DKCAOYVLMZFWBT-OAHLLOKOSA-N 392.481 1.757 0 50 GDAA COc1cccc(CN2CCC[C@](O)(CNCCc3nccs3)C2=O)c1 67846662 PSVLVVRJLURJFQ-IBGZPJMESA-N 375.494 1.838 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2C1=O 71551655 XHWNSGHDDVUKMT-UHFFFAOYSA-N 381.392 1.166 0 50 GDAA O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCNCC1 71707871 JVSGMXRMWGINDR-FQEVSTJZSA-N 385.556 1.580 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3c(C)noc3C)CC2)C1 71754483 AHPGLYHJGIKASA-MRXNPFEDSA-N 392.500 1.371 0 50 GDAA CN(C)CCN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71763241 SKAGYQCWLTZDMN-FQEVSTJZSA-N 387.572 1.778 0 50 GDAA O=S(=O)(Cc1ccccc1CN1CC[C@H](CO)[C@H](O)C1)c1ccccc1 72153672 FRWSSFYPXVRSOV-YLJYHZDGSA-N 375.490 1.836 0 50 GDAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CCN(CCO)CC3)cc2c1 72475794 NPSJCZWHLOAORD-FQEVSTJZSA-N 384.524 1.614 0 50 GDAA CCn1ccc(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)cc1=O 91350843 DCMVYLAUAWKPRU-UHFFFAOYSA-N 385.468 1.178 0 50 GDAA O=C(O)CCN1CCN(Cc2ccc3occc3c2)[C@H]2CS(=O)(=O)C[C@H]21 91877215 PLRJZCOIKPZRQF-CVEARBPZSA-N 378.450 1.191 0 50 GDAA Cn1cnnc1SCCNC(=O)Nc1ccccc1CN1CCOCC1 95501692 VSRPBRYRHFZBLM-UHFFFAOYSA-N 376.486 1.561 0 50 GDAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)N2CCC3(CCO3)CC2)c1 95501993 KIBHPSQPGQWWAI-OAHLLOKOSA-N 380.466 1.149 0 50 GDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cc(NS(C)(=O)=O)ccc1C 95502118 PFPPRLJKSJIQJR-HOTGVXAUSA-N 384.502 1.596 0 50 GDAA O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C(=O)COc1cccnc1 95504728 QVYJWDXBLYVLFN-KRWDZBQOSA-N 393.407 1.066 0 50 GDAA COc1ccc([C@@H]2CN(C(=O)CCn3cncn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95509879 FPYXIJCZIMIMRU-CEWLAPEOSA-N 381.480 1.766 0 50 GDAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCn2cnnn2)cc1 95530619 LJFLSBQEJKPISI-KRWDZBQOSA-N 394.439 1.187 0 50 GDAA CCc1cc(C(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)ccn1 96149421 NQPHXHNKRBRVCE-UHFFFAOYSA-N 386.500 1.216 0 50 GDAA Cc1nc2sccn2c1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 97574996 XKRAVEIWZAXLJA-UHFFFAOYSA-N 393.476 1.980 0 50 GDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100567003 CIYMQMGETDSFSM-KODHJQJWSA-N 385.416 1.842 0 50 GDAA C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1cnn(C)c1 170642447 KDTPDNVUHJMAHA-SECBINFHSA-N 379.410 1.456 0 50 GDAA O=C([C@H]1CC=CC[C@H]1C(=O)N1CCN(c2cccs2)CC1)N1CCOCC1 190089059 SKFWSZZMQWXDIU-SJORKVTESA-N 389.521 1.838 0 50 GDAA O=C(O)c1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCC[C@@H](O)C2)C3)c1 223066130 YGGAACPJYXUTRK-OAHLLOKOSA-N 384.436 1.116 0 50 GDAA CC(C)n1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21 253410715 NQGIRXWOPCJLLT-UHFFFAOYSA-N 379.482 1.705 0 50 GDAA Cn1c(CN(c2cccc(CO)c2)C2Cc3ccccc3C2)cc(=O)n(C)c1=O 279387738 UBGWXDITXYJIKV-UHFFFAOYSA-N 391.471 1.750 0 50 GDAA COCc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1 299768292 SUKIDHWLFDBILM-NVXWUHKLSA-N 376.482 1.358 0 50 GDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccc1 299771204 UKWGDZPFEBJEOM-HXUWFJFHSA-N 385.508 1.766 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1n[nH]nc1C)C2 299786180 RTUUPMYOZOBMGY-MDZRGWNJSA-N 377.489 1.093 0 50 GDAA COCCN1C(=O)C[C@@H](CNc2ncnc3c2CCCC3)[C@@H]1c1cnn(C)c1 328609681 FNFFSEIHMAVGIG-IFXJQAMLSA-N 384.484 1.737 0 50 GDAA Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCO2)o1 328611954 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IBVOWNSCOLMYDK-UHFFFAOYSA-N 397.435 1.552 0 50 GDAA CN(CCCCN1CCOCC1)c1nc2nonc2nc1NC1CCCC1 19608467 UZQKDNDLZGMFDV-UHFFFAOYSA-N 375.477 1.916 0 50 GDAA c1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1 19774294 GXLOQVUUZGPPMP-UHFFFAOYSA-N 399.499 1.064 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cn2ccccc2n1 19885550 DBIADUZAOQSGDY-SFHVURJKSA-N 395.438 1.480 0 50 GDAA Cc1ncc2c(c1-c1noc(C[C@@H]3C(=O)NCCN3C3CCCC3)n1)CCNC2 20539150 WZXFJUKCKLJQGB-QGZVFWFLSA-N 396.495 1.371 0 50 GDAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 24609411 LRBXZMVKXSCYHP-UHFFFAOYSA-N 379.526 1.311 0 50 GDAA O=C(CCCn1ccnc1)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67675536 HNDRFSCNMWJDRJ-MRXNPFEDSA-N 380.452 1.944 0 50 GDAA CCn1c(C2CCN(C(=O)c3nnn(Cc4ccccc4)c3C)CC2)n[nH]c1=O 67678910 BSJKRRAPFSFFGL-UHFFFAOYSA-N 395.467 1.559 0 50 GDAA CN1CCC[C@H]1CNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67714027 IVNRIWRLPDXWRQ-IBGZPJMESA-N 397.523 1.816 0 50 GDAA COC(=O)C(C)(C)NC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712009 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CNS(=O)(=O)c1ccccc1NC(=O)NCCC(=O)NC1CCCCC1 95501362 LRFDZVWSCWJRIN-UHFFFAOYSA-N 382.486 1.555 0 50 GDAA COc1cc(CC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)cc(OC)c1OC 96133766 VTLSAQRIGSSFEN-ZDUSSCGKSA-N 375.381 1.016 0 50 GDAA CCc1ocnc1C(=O)N1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 96152179 ODXPGZXMAXFVAJ-UHFFFAOYSA-N 383.456 1.939 0 50 GDAA O=C(Cn1c(=O)cnc2ccccc21)N1CCC(OC[C@@H]2CCCCO2)CC1 175026920 OCYWXSZJCOPFBX-KRWDZBQOSA-N 385.464 1.973 0 50 GDAA Cn1nc(CCNC(=O)NC2CCC(S(C)(=O)=O)CC2)c2ccccc21 185538230 LQCMSJILVGFHRT-UHFFFAOYSA-N 378.498 1.771 0 50 GDAA NC(=O)c1cccnc1N1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 190291951 IEWVEAVCASMBMQ-UHFFFAOYSA-N 398.417 1.967 0 50 GDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3ccccn3)C2=O)cc1 206240494 XFHUGHQNONOIMB-QGZVFWFLSA-N 382.420 1.260 0 50 GDAA CCCNc1ncc(CN2CCn3nc([C@H](O)c4nccn4C)cc3C2)cn1 220010793 YJQNCHDIODYAJP-KRWDZBQOSA-N 382.472 1.326 0 50 GDAA O=C(O)CC[C@]1(CCC(=O)N2CCN(c3ccccc3F)CC2)CCC(=O)N1 222885290 LDXUMLJTVRVGSH-HXUWFJFHSA-N 391.443 1.768 0 50 GDAA C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 239121095 JHOBKPSSCGRTAN-KHZNSDFCSA-N 379.412 1.854 0 50 GDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCNC(=O)OCC(F)(F)F 241160540 JYCCCNVAWKSZRV-TUAOUCFPSA-N 380.363 1.998 0 50 GDAA CNC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)c2c(O)n[nH]c2C[C@]1(C)O 245255819 LILSOMVPASSDJC-RBOXIYTFSA-N 380.242 1.679 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 246262825 OSQAJIRNRBTROU-QXRTWZOPSA-N 392.521 1.902 0 50 GDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccn3)N=C2O)cc1OC 252523157 BZKGWMGNNNPTTE-CQSZACIVSA-N 398.419 1.795 0 50 GDAA CCn1nc(C)c(CC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1C 253414521 NHUCCYRPMRYSCF-UHFFFAOYSA-N 386.500 1.464 0 50 GDAA COCCc1nsc(N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)n1 253418502 RVFVDONWCUGKQN-OAHLLOKOSA-N 386.481 1.945 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCO1 262090161 LLRUMZGUVYYSCB-LBPRGKRZSA-N 381.431 1.507 0 50 GDAA C[C@H](Cn1cncn1)C(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1 299756725 IEDXOIUEVNIHLV-MRXNPFEDSA-N 377.452 1.720 0 50 GDAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)COC[C@@H]3CCOC3)CC2)cn1 328624223 CHATXNFNYUTFSN-IAGOWNOFSA-N 376.501 1.994 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)CCOc2ccccc2)cn1 328640573 XMUCGCMBHPPVAQ-KRWDZBQOSA-N 377.466 1.670 0 50 GDAA CC(C)(C)CCN1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 408457096 NQAWQVGXPGFJSW-OAHLLOKOSA-N 380.576 1.195 0 50 GDAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC3(CCCO3)CC2)c1 426358493 OFDWXTCHGVNVIE-LJQANCHMSA-N 385.508 1.857 0 50 GDAA C[C@@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1)c1nc(N)n[nH]1 426473439 HLONIVJNINOPGO-GFCCVEGCSA-N 391.497 1.870 0 50 GDAA CCN(CCOc1ccc(Cl)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426677958 ZERWMTBHOYNUAN-ZDUSSCGKSA-N 392.843 1.182 0 50 GDAA COC[C@H](NC(=O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccnn1C 534581917 JKJVHFUTFKVFGV-KRWDZBQOSA-N 375.448 1.774 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)c2nccn2C)CC1 824156455 NEZUXFMGPWESGQ-OAHLLOKOSA-N 391.472 1.009 0 50 GDAA COc1cccc(N2C[C@@H](NC(=O)N3CCO[C@@](C)(C(F)F)C3)CC2=O)c1 888101441 WEYHMPPAXVEROO-KPZWWZAWSA-N 383.395 1.866 0 50 GDAA Cn1cc(-c2ccnc(C3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]54)CC3)n2)cn1 952891847 JEDGMBPRLGBQJK-YQVWRLOYSA-N 397.479 1.635 0 50 GDAA CN1CCN(c2nnc(-c3cnn[nH]3)n2C[C@H]2CCCO2)Cc2ccccc21 1345287980 BJCHVKJOGKMBSV-OAHLLOKOSA-N 380.456 1.699 0 50 GDAA COc1cccc([C@@H]2CCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)c1OC 1506404299 WGLJBELVCUATKX-CQSZACIVSA-N 398.481 1.535 0 50 GDAA Cc1cnc(C(=O)N2C[C@H]3CN(C(=O)c4ccsc4)C[C@@]3(CN(C)C)C2)cn1 1772710416 QZIXCCMTCQVONM-UZLBHIALSA-N 399.520 1.623 0 50 GDAA CCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)NCCNC(C)=O)cc12 1857702842 QOLOZRNFYWQJOY-UHFFFAOYSA-N 393.509 1.414 0 50 GDAA Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)Cn1c(nnc1-c1ccccn1)CO2 1857702925 IRRIOOAIRBBDOF-LJQANCHMSA-N 380.408 1.760 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)c2cc(-c3ccccc3)nn2C)CC[C@H]1O 1857719744 SQEXXCQGSNMMFG-CTNGQTDRSA-N 387.480 1.699 0 50 GDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CN3CCc4ccccc4C3)CC(=O)N21 1857721117 ZSYHZHMOFIUGPQ-FHWLQOOXSA-N 399.491 1.056 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4ncccn4)C[C@]34CC[C@H]2O4)cn1 1857725558 CDFJPPDPYPKYAA-QCBUCWTNSA-N 381.436 1.294 0 50 GDAA COCCC[C@@]1(CO)CN(C(=O)CCc2nc(-c3ccco3)no2)CC[C@H]1O 1857739203 MKMSUQDFMJSQBK-BEFAXECRSA-N 393.440 1.261 0 50 GDAA COCCC(=O)N1CCc2ncc(CNC(=O)c3cccc(N(C)C)c3)cc2C1 1875245405 YEJKBWQONBTERI-UHFFFAOYSA-N 396.491 1.999 0 50 GDAA CN(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[C@]1(CN)CCOC1 1875292846 UZFWNWICNVVWCW-IBGZPJMESA-N 376.407 1.829 0 50 GDAA C=CC(=O)NC[C@H](NC(=O)c1cn(C)c(=O)cn1)c1ccc2ccccc2c1 1875385806 BXVQKFZXVRZVLU-KRWDZBQOSA-N 376.416 1.707 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCn4c(C)cnc43)C2)c1C 1875397596 GTFCLYAQRFBIBP-CVEARBPZSA-N 383.500 1.613 0 50 GDAA C[C@@H](NC(=O)[C@]1(C)CCCNC1=O)c1cc(F)ccc1N1CCC(O)CC1 2325745018 RKTGBMNJTOTFKJ-ZUOKHONESA-N 377.460 1.880 0 50 GDAA CCn1ncc(Cl)c1CN1C(=O)c2cc(OC)c(OC)cc2S1(=O)=O 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CCS(=O)(=O)N1CC(CNC(=O)N2CCC(OCC3CCCC3)CC2)C1 333482730 STLBTTAUYLAXEE-UHFFFAOYSA-N 387.546 1.649 0 50 GDAA CCn1nc(C)c(CCC(=O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)c1C 334159397 YNRBGADOXMHCRI-OAHLLOKOSA-N 393.513 1.378 0 50 GDAA O=C(Nc1nc2c(s1)COCC2)C(=O)N1CC[C@]2(C1)OCc1ccccc12 368510488 VUBTZGIJOMDFBH-LJQANCHMSA-N 385.445 1.812 0 50 GDAA Cc1cccc(C(=O)NC[C@H]2CN(c3ccnc4c3cnn4C)CCCO2)n1 888103563 NDFPKLHYYMRQPH-HNNXBMFYSA-N 380.452 1.697 0 50 GDAA Cc1nnc2ccc(N3CCCO[C@@H](CNC(=O)c4ccc(F)cc4)C3)nn12 888103726 WFBBVFUVLURGBU-INIZCTEOSA-N 384.415 1.597 0 50 GDAA O=C(NCC1CCN(C(=O)c2nc3ncccn3n2)CC1)c1ccc(Cl)cn1 952990084 KFRHEUNUHDJLIQ-UHFFFAOYSA-N 399.842 1.455 0 50 GDAA O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H](OCC(F)(F)F)C1 1251162813 YMUAOJSWZRPDPU-LBPRGKRZSA-N 376.379 1.341 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccncc1)CCN2CCCc1ccccc1 1565507755 UPXSGRYDUFAHDJ-RTWAWAEBSA-N 385.533 1.998 0 50 GDAA Cc1nc(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)cs1 1565514048 QERJKGSDCVZDNP-HOTGVXAUSA-N 375.450 1.446 0 50 GDAA O=C1NC[C@H]2CCCCN2C(=O)CCCc2cn(nn2)CCOc2cccnc21 1704317711 JWORHERSHZRMNZ-MRXNPFEDSA-N 398.467 1.199 0 50 GDAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@]2(C(=O)NCCO)CCN(C)C[C@H]12 1775983941 DRSXJNIZDPKLAI-FXAWDEMLSA-N 393.915 1.683 0 50 GDAA Cc1nsnc1C(=O)N1CC[C@@H](O)[C@H](NC(=O)CCOc2ccccc2)C1 1857673252 LYRIDTVRQJUOHH-HUUCEWRRSA-N 390.465 1.007 0 50 GDAA COc1c[nH]c(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1=O 1857728975 ICPDSVGFPWPGCY-LPHOPBHVSA-N 397.431 1.026 0 50 GDAA Cc1ocnc1C(=O)N1CCC2(CC1)CN(Cc1nccs1)C(=O)CCO2 1857735852 UWKPIFIIPJFBHR-UHFFFAOYSA-N 390.465 1.863 0 50 GDAA CO[C@H]1C[C@@H](c2nc(CC(N)=O)nn2-c2ncccc2C(F)(F)F)CC[C@@H]1N 1857737181 ADYZDFHSTQSDJX-DLOVCJGASA-N 398.389 1.319 0 50 GDAA Cc1ccc(N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)nn1 1857739361 JFTSTVPTBASODX-HXUWFJFHSA-N 382.468 1.602 0 50 GDAA COc1ccc(NC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1875251580 XBKBOSJGIFCUPC-GXFFZTMASA-N 391.877 1.377 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)ccc21 1875372125 XIZZBIUPCWRUKR-GASCZTMLSA-N 386.448 1.944 0 50 GDAA CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCCn2cc(-c3ccoc3)cn2)ncn1 1875401961 XIQRTCURZWUNHA-QZTJIDSGSA-N 397.483 1.546 0 50 GDAA Cc1cc(C)nc(N2CCC(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)CC2)n1 1875402752 KCXBYFPRKRDDCK-BHIYHBOVSA-N 398.511 1.462 0 50 GDAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1n[nH]c(-n2cnnc2)n1 2100473685 UWBUKQLSHZCRSY-UHFFFAOYSA-N 379.384 1.406 0 50 GDAA CC(C)=C(F)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C1 2325878065 DAINBFDRKJUVHA-KGLIPLIRSA-N 381.452 1.279 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 2325884680 DHGSZWVRLGIBCX-UHFFFAOYSA-N 377.491 1.892 0 50 GDAA Cc1ccccc1CNC(=O)[C@@H]1[C@H]2CN(c3ncccn3)C[C@@H]2[C@H](O)[C@@H](O)[C@@H]1C 2356157298 JEZJDJMRTGOHMM-CISPMOHPSA-N 396.491 1.142 0 50 GDAA CC(C)C(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1114640 YHOCSLPDBDJYHQ-UHFFFAOYSA-N 389.477 1.901 0 50 GDAA COCCN1C=C(C(=O)OC)C(c2cccc(OC)c2OC)C(C(=O)OC)=C1 2805647 RBVCLGYJEIGBDB-UHFFFAOYSA-N 391.420 1.863 0 50 GDAA CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)n[nH]1 8611073 AKPFBSRUTOIFJK-UHFFFAOYSA-N 394.453 1.106 0 50 GDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCSC)c2)CC1 11817450 GHQRMAOMUCOJMN-SFHVURJKSA-N 396.553 1.764 0 50 GDAA O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3c(F)cccc3F)C2)nn1 12150339 BXDYROFYTKLCQE-CYBMUJFWSA-N 379.411 1.506 0 50 GDAA O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@H]2COc3ccccc3O2)nn1 12302167 YFVZPQDTZNLWDG-ZDUSSCGKSA-N 398.448 1.350 0 50 GDAA Cn1cnnc1SCC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 12430582 HUZYJRLQFBQJDC-GOSISDBHSA-N 378.473 1.890 0 50 GDAA CCn1ncc(NC(=O)Cn2cc(-c3cc(-n4cccn4)nc(C)n3)cn2)n1 48234119 OFZMPHUYLFIVSL-UHFFFAOYSA-N 378.400 1.084 0 50 GDAA CN(Cc1cnc(N)nc1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67473052 TYVLSZHUUHXAQB-FQEVSTJZSA-N 375.517 1.815 0 50 GDAA O=C(CN1CCC(n2nccc2NC(=O)C2CC2)CC1)NC[C@@H]1CCCO1 67643172 VZYLAWDSGVKYGH-INIZCTEOSA-N 375.473 1.164 0 50 GDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccn(C)c(=O)c1 67788432 HFSJDNYQUXDCMW-UHFFFAOYSA-N 377.448 1.784 0 50 GDAA CCCn1nccc1C(=O)N1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72419040 ITVZPVSUHSQCRL-SJORKVTESA-N 380.514 1.183 0 50 GDAA CC[C@H]1COCCN1C(=O)c1cccc2c1CN(CCc1cn(C)cn1)C2=O 72478709 HWQGOTAHGQIEKG-INIZCTEOSA-N 382.464 1.870 0 50 GDAA Cc1[nH]c2c(c1C(=O)N1CCOC[C@](O)(CN3CCCC3)C1)C(=O)CCC2 77469868 QKISLHAGOUVVCZ-FQEVSTJZSA-N 375.469 1.141 0 50 GDAA Cn1nc(C(=O)N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)cc1-c1ccccc1 91656448 KCUCLQPWYZNQHM-MOPGFXCFSA-N 384.480 1.418 0 50 GDAA CN(c1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1)S(C)(=O)=O 91690823 GZSQLAMBWAMDAS-HNNXBMFYSA-N 376.482 1.836 0 50 GDAA COCCNC(=O)c1cccc(OC2CCN(C(=O)[C@H]3CCCN3)CC2)c1 95506976 BKMVLGYGUHWWDY-GOSISDBHSA-N 375.469 1.185 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 95519551 NJVKRAIQVMWDQK-MRXNPFEDSA-N 378.436 1.574 0 50 GDAA CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2cccc(-c3cnco3)c2)C1 95526282 CYMGVMRDHZOAPW-CQSZACIVSA-N 380.426 1.124 0 50 GDAA NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 118989451 KOGVOEZIIBOPMZ-GFCCVEGCSA-N 397.888 1.171 0 50 GDAA O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)Nc2ccncc2)c1 170600982 SIWFWVXXPJZTGP-UHFFFAOYSA-N 393.446 1.954 0 50 GDAA CC(C)OCC[C@H]1NC(=O)N(C[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1=O 170614047 PNFRDWRGARZVQV-QZTJIDSGSA-N 387.480 1.813 0 50 GDAA O=C(CCCOc1ccccc1Cl)N1CCC[C@H](N2CCNCC2=O)C1 186691960 WTOPBQSPDDZSBJ-HNNXBMFYSA-N 379.888 1.922 0 50 GDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 190591897 MOJMNTCNWIKUOM-HNNXBMFYSA-N 380.445 1.255 0 50 GDAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)NCc1ccc(Cl)cc1)C2 220422538 ZHPYDHCWDODOQJ-QGZVFWFLSA-N 377.876 1.857 0 50 GDAA Cc1ccc(CN2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2=O)cc1C 220452487 PBOZOTSQCUSJEQ-UHFFFAOYSA-N 380.496 1.729 0 50 GDAA CN1[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H](c2cccs2)NS1(=O)=O 225244798 MRVHOUCVESSMKP-HOTGVXAUSA-N 391.518 1.913 0 50 GDAA O=C(NC1(C(=O)O)CCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 237958592 HAOWFLGYSFLHBH-SNVBAGLBSA-N 381.226 1.926 0 50 GDAA COCCN1C(=O)[C@@H]2[C@@H](C(C)=O)N3c4c(ccc5cccnc45)C=C[C@H]3[C@@H]2C1=O 245310079 HGUOOPROIWLQOZ-LSTDLKDCSA-N 391.427 1.655 0 50 GDAA O=C(CN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1)NCc1cccnc1 276037320 RVFKBHDYMNXOOI-SFHVURJKSA-N 398.511 1.133 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)C1(N2CCCC2)CCCC1 299792528 FNAAYJYUUIVENK-IAGOWNOFSA-N 378.542 1.603 0 50 GDAA Cc1ccccc1CC(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299793933 HQZPGJJWNOPDDV-OAQYLSRUSA-N 399.535 1.898 0 50 GDAA COCCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1 328634522 UBOSURCHOUBRCZ-MRXNPFEDSA-N 380.470 1.112 0 50 GDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1 426555356 BMFXWCUMDGDNGW-UHFFFAOYSA-N 398.872 1.386 0 50 GDAA COCCN1CC[C@H](CNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1 670450734 APCWDXGBTPGUFY-LLVKDONJSA-N 376.862 1.285 0 50 GDAA CCCNC(=O)N1CCOC2(CCN(Cc3nccn3CCOC)CC2)C1 822927628 MJSKEUBNLVXJEG-UHFFFAOYSA-N 379.505 1.316 0 50 GDAA COCC1CCN(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)CC1 824372261 SHHGQFYTHSWAHR-OAHLLOKOSA-N 385.486 1.077 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)c2ccccc2c1=O 888088859 UUASTJDLXFRYMH-GRDNDAEWSA-N 380.448 1.407 0 50 GDAA CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 911271149 KJYJSONMUPDSJQ-SFHVURJKSA-N 393.553 1.406 0 50 GDAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 952873221 XIOCBZDJKHFZLB-AWEZNQCLSA-N 393.407 1.053 0 50 GDAA COc1ccc(NC(=O)c2cnc3cccc(C)n3c2=O)cc1C(=O)N(C)C 952963626 JJTGVYJWUYOTLX-UHFFFAOYSA-N 380.404 1.966 0 50 GDAA O=C([C@H]1CCCO1)N1CCC(NCc2nncn2CCc2ccccc2)CC1 952965786 CQQWGEJYJLVYSJ-LJQANCHMSA-N 383.496 1.780 0 50 GDAA Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 952970159 JQARQTVEWDTZMB-HNNXBMFYSA-N 381.440 1.914 0 50 GDAA CCCS(=O)(=O)N1CCC(CNC(=O)Cn2ncc3ccccc32)CC1 952991154 ZRDYOLIFGYKSRJ-UHFFFAOYSA-N 378.498 1.604 0 50 GDAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)C1 1506417300 PJRGPYBXOCZQHY-QMMMGPOBSA-N 378.809 1.324 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2conc2-c2ccccc2)C[C@@H]1NS(C)(=O)=O 1565506853 ZNFULAWOLIVUHT-ZBFHGGJFSA-N 377.466 1.987 0 50 GDAA CC(=O)NCC(=O)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@]2(CCc2ccccc2)C1 1772807247 SQSNJQWTIHYLJE-DENIHFKCSA-N 395.507 1.439 0 50 GDAA CC1(C(=O)N2CC(O)(CN(Cc3ccccc3)C(=O)Cn3cccn3)C2)CCC1 1775989586 QFZZUDZGGGBJMI-UHFFFAOYSA-N 396.491 1.675 0 50 GDAA Cc1nn[nH]c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857689583 HJPIUNJYONNIRV-HXUWFJFHSA-N 391.435 1.791 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC 1857711854 OFYJLKPFKHXCHA-LBPRGKRZSA-N 386.437 1.400 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@@H]2O)n[nH]1 1857715468 SRMQNPZAPDJEHW-KDOFPFPSSA-N 378.436 1.927 0 50 GDAA COCc1nnc(N2C[C@@H](C(=O)NCc3cncn3CC(C)C)CC2=O)s1 1857739456 KNUAVNRFPCZJRL-LBPRGKRZSA-N 392.485 1.206 0 50 GDAA COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CCc2ccccc21 1875297596 XSMDZYCYOUQWTJ-LSBZLQRGSA-N 396.447 1.161 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3ocnc3C(=O)OC)C2)C1 1875370856 GNQQRAQKJSGPIO-UONOGXRCSA-N 375.425 1.592 0 50 GDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1CC[C@@H]3C[C@H](C)CN3C1)CCO2 1875396038 TVGMNKNLRDCJHF-ZCFOILECSA-N 397.585 1.986 0 50 GDAA O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402264 DDJZIBAXIDURKX-QXAKKESOSA-N 382.464 1.508 0 50 GDAA CO[C@@H](C)C(=O)N1CC[C@@]2(C1)c1ncn(C)c1CCN2C(=O)C1CC(F)(F)C1 2325776926 NUWWVAUXUQREBX-KPZWWZAWSA-N 396.438 1.313 0 50 GDAA CCN1CC[C@H](N2CCC(CCNC(=O)C[C@@H](OC)C(F)(F)F)CC2)C1=O 2325793419 SUWIVCQPRFCGNI-LSDHHAIUSA-N 393.450 1.793 0 50 GDAA CC1(C)[C@H](CNC(=O)c2cccc3cnccc23)C[C@@H](C(=O)O)S1(=O)=O 2325875599 XKIMULKXPYYUAM-WFASDCNBSA-N 376.434 1.631 0 50 GDAA O=C(c1cccc2ncsc12)N1CCCN(S(=O)(=O)N2CCCC2)CC1 2356155778 MLZWHHOZVIKSRE-UHFFFAOYSA-N 394.522 1.785 0 50 GDAA COCc1cc(CNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)[nH]n1 2356163718 OMCLWWXFDNDVMG-UHFFFAOYSA-N 376.482 1.699 0 50 GDAA COc1cc(CC(=O)N2CCC(CN(C)C)(OC)CC2)cc(OC)c1OC 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386.433 1.813 0 50 GDAA O=C(NC1CCN(Cc2ccccc2F)CC1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 584893437 IKSFLYVJKANKPW-OBMJPTGESA-N 391.487 1.563 0 50 GDAA CN(C)[C@@H]1CNC[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1 1875349558 BOOYKYJOFXLVIJ-HOCLYGCPSA-N 383.452 1.451 0 50 GDAA O=C(O)c1cncc(-n2cc(C3(CNC(=O)c4cncc(F)c4)CCC3)nn2)c1 1875325203 TYCVTTBDLFSFNT-UHFFFAOYSA-N 396.382 1.746 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O)C2 1875269776 ORDPHUIAZRFWBQ-QGZVFWFLSA-N 382.420 1.786 0 50 GDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N(C(C)C)C3)CC2)c1 1875280544 UNUSMZJJCZMUJW-QGZVFWFLSA-N 387.480 1.627 0 50 GDAA COc1ccnc(N2CCN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)CC2)c1 1875314545 DRWYKLQPGOPBFH-KGLIPLIRSA-N 385.468 1.808 0 50 GDAA CCC[C@@H](OC)C(=O)N1CCC2(CC1)CN(C(=O)Cc1[nH]cnc1C)CCO2 1775986835 ITERYQXITFBPDE-QGZVFWFLSA-N 392.500 1.296 0 50 GDAA COc1ccccc1-c1ncc(CNC(=O)NC[C@H]2CCNC[C@@H]2O)s1 1565509898 UCVPEUIRDKNSFO-DOMZBBRYSA-N 376.482 1.588 0 50 GDAA 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COc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c1C 91952102 BXQYAQQKABABKM-CYGHRXIMSA-N 376.497 1.793 0 50 GDAA CCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1C 95356506 POVJLPGUKPBMAY-AEFFLSMTSA-N 377.533 1.131 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 245020825 MIUJLSMULFUXEZ-ZWJPJJENSA-N 385.416 1.770 0 50 GDAA CC(=O)Nc1ccc2nc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)ccc2c1 820592957 JHRWMQOGFIWLBB-UHFFFAOYSA-N 394.479 1.575 0 50 GDAA O=C(N[C@H]1[C@@H]2CN(CC(=O)N3CCc4ccccc4C3)C[C@@H]21)c1ccc(F)cn1 1875324836 CMNFSPUJKYZPSA-WGMWDUQUSA-N 394.450 1.466 0 50 GDAA CCn1nc(C)c(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c1C 1875397307 VHUAMUVNDUZIII-QGZVFWFLSA-N 399.543 1.997 0 50 GDAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@H]2OC[C@@H](CO)[C@H]2C1 1875310342 MVAGWHBLPFGFOT-AXAPSJFSSA-N 392.253 1.919 0 50 GDAA O=C1NCC2(CC(NC(=O)N3CC[C@](O)(c4cccc(C(F)(F)F)c4)C3)C2)O1 1875300845 SHTUUUFLFKIOSW-QWFMPGPPSA-N 399.369 1.949 0 50 GDAA 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COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC1Cc2ccccc2C1 13593291 XSJCGFCLJIYHHY-HXUWFJFHSA-N 393.487 1.669 0 50 GDAA O=C(CN1C(=O)c2ccc(Cl)cc2S1(=O)=O)NOCc1ccccc1 800841119 TVEGEQVRGMDWSQ-UHFFFAOYSA-N 380.809 1.733 0 50 GDAA Cc1cccc(N2CCN(C(=O)CN3CCC(O)(c4nccn4C)CC3)CC2)c1 2325771806 RHFIMYPSOCKLTP-UHFFFAOYSA-N 397.523 1.361 0 50 GDAA CSCc1cccc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1 2325817928 GCTDLJMRFVVESC-UHFFFAOYSA-N 377.466 1.931 0 50 GDAA NC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2nsc3ccccc23)CC1 2325861265 KSLMXPDMQSQESN-NWDGAFQWSA-N 387.465 1.264 0 50 GDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)NC45CC6C[C@H]4[C@H]5C6)ccc3C2=O)C(=O)N1 2325901589 MQDXOUCMDGWWJE-LZAKSURJSA-N 394.431 1.368 0 50 GDAA Cc1cnc(CNC(=O)c2ccc(-c3n[nH]c(N4CCOCC4)n3)cc2)cn1 2356167979 KUJAPWJRLKBXIM-UHFFFAOYSA-N 379.424 1.337 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1 4973738 MSJPXXQOYJXEGM-UHFFFAOYSA-N 395.525 1.406 0 50 GDAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1 4975437 BNVSWFXJHYQJJZ-MRXNPFEDSA-N 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O=C(O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4Cl)C[C@@]3(CO)C2)nn1 1772814724 PKGAJNDVCMEKJE-LIRRHRJNSA-N 388.855 1.759 0 50 GDAA CCOC(=O)c1ccc(N2C[C@H]3COC[C@@H](C2)CN3Cc2[nH]cnc2C)nc1 1772707821 WXRNMVNBMPTYLP-WBVHZDCISA-N 385.468 1.627 0 50 GDAA CCCn1cc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2CN(C)C)CO3)c(C)n1 1772813040 UHZYQUKTMVDQOX-IBGZPJMESA-N 387.488 1.070 0 50 GDAA COc1cc(CNC(=O)C[C@H]2C(=O)NCCN2CCC(C)C)cc(OC)c1 11933716 SLBIHHCPNNSHNN-SFHVURJKSA-N 377.485 1.557 0 50 GDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3ccccc3C)CC2)nn1 12278770 MWVOSZIUOQDEOY-UHFFFAOYSA-N 385.468 1.369 0 50 GDAA CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 15066563 URPBUWXCJJNXLS-LJQANCHMSA-N 391.487 1.791 0 50 GDAA CC(=O)N1CCN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)CC1 19229517 IYNKZTPQVMMHEL-NRFANRHFSA-N 389.540 1.966 0 50 GDAA COc1ccccc1Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2ccnn2C)n1 1857680173 CZRMXNJNCYVPHA-OAHLLOKOSA-N 390.451 1.922 0 50 GDAA O=C(c1ccoc1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857683951 SKLULIYLTCGOGS-FQEVSTJZSA-N 384.436 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COCCn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)CC1CC1 55108781 SRXJIUHKTDEWLW-QGZVFWFLSA-N 385.530 1.714 0 50 GDAA Cn1nc(C2CCN(C(=O)c3ccc(CO)o3)CC2)n(-c2ccccc2)c1=O 67934900 SQDPWLCMCBUVMA-UHFFFAOYSA-N 382.420 1.676 0 50 GDAA CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 4742093 GLKXPGJPZNJGPU-UHFFFAOYSA-N 389.412 1.199 0 50 GDAA O=C(c1ccccc1[C@H]1CCNC1)N1CCc2c(nc(CC3CC3)[nH]c2=O)C1 72129152 LIXMIHUOGQYPCE-HNNXBMFYSA-N 378.476 1.998 0 50 GDAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2CCN2CCCC2)c1 77355026 OGABMNLCCOSQLD-AWEZNQCLSA-N 383.489 1.954 0 50 GDAA NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32768414 MCELOCBYRYMIOD-CYBMUJFWSA-N 393.490 1.886 0 50 GDAA CCOc1ccc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72426993 DCWXXAKUVSFTGR-ZWKOTPCHSA-N 378.494 1.305 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccoc1)CO2 71708018 PTGZEKCNCMXQES-MRXNPFEDSA-N 387.436 1.560 0 50 GDAA Cc1ccc(OCC(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72424541 YXJGDUTUXOOLRO-MSOLQXFVSA-N 378.494 1.094 0 50 GDAA CN(c1ncccc1C(=O)N1CCO[C@@]2(CNCCOC2)C1)C1CCCCC1 72127279 JQWYSLJUDAXSAJ-NRFANRHFSA-N 388.512 1.682 0 50 GDAA CN1CC[C@@H](N2CCC(NC(=O)c3ccc4c(c3)NC(=O)C4(C)C)CC2)C1=O 333377805 BAWNOGJPKMTKNC-QGZVFWFLSA-N 384.480 1.341 0 50 GDAA O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC(c2nnc3ccccn23)CC1 375008539 OOUYDCHVBYNVEG-AWEZNQCLSA-N 397.401 1.698 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccoc2)c(OC)c1 72152829 GBEOCKIQVJXYQT-KRWDZBQOSA-N 387.436 1.304 0 50 GDAA CN(C)CC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72144757 FMBPBGOMGMYPPZ-SFHVURJKSA-N 388.512 1.086 0 50 GDAA CN1CCN(CCNC(=O)N(Cc2ccncc2)Cc2ccc(O)cc2)CC1 426515447 AOBIUKQNYRWPDI-UHFFFAOYSA-N 383.496 1.746 0 50 GDAA Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 163777322 GBNSWBUREGLLLS-SFHVURJKSA-N 389.477 1.680 0 50 GDAA NCCOc1cccc(CC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c1 426513577 GJIIDAHDOOYTPR-FQEVSTJZSA-N 375.513 1.670 0 50 GDAA Cc1ccc(OC[C@H](O)CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 97716743 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CNc1cc(C)nc(N2CCC(N3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 71589569 PDXYFIJAWCBENM-INIZCTEOSA-N 390.532 1.270 0 50 GDAA O=C1c2ccccc2C(=O)N1CCc1nc(CS(=O)(=O)c2ccccc2)no1 225526476 FQVMRYKMBBRIOB-UHFFFAOYSA-N 397.412 1.882 0 50 GDAA CC(C)COC(=O)N1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 292570702 SXGIVVBVWIHSNG-MRXNPFEDSA-N 377.489 1.742 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(C(=O)CCn1nccc1C)CC2 92099172 HTKDMONKJCVISN-UHFFFAOYSA-N 376.501 1.849 0 50 GDAA CCOCCn1nc(C)cc1C(=O)N1CCC([C@@H](C)N2CCN(C)CC2)CC1 95354276 IDEWLIKTNAVREC-GOSISDBHSA-N 391.560 1.716 0 50 GDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCCO)cc2Cl)CC1 95529784 IXAWAJFXCNYQJW-UHFFFAOYSA-N 390.889 1.255 0 50 GDAA COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 95482817 LHUGFLYZJMAGCP-QGZVFWFLSA-N 394.431 1.322 0 50 GDAA COCCN1C[C@@H]2CN(C(=O)Cc3ccc(SC)cc3)C[C@]2(C(=O)O)C1 96130811 MVKOQPMJZHWGSD-DNVCBOLYSA-N 378.494 1.442 0 50 GDAA Cc1cc(N2CCC(NCCc3nncn3C)CC2)nc(N2CCCCC2)n1 95376290 KYDHOFVXRAZANV-UHFFFAOYSA-N 384.532 1.705 0 50 GDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2cccnc2N)CC1 96147827 UXXJVWIPKVWIRX-UHFFFAOYSA-N 385.516 1.129 0 50 GDAA CN(C)CCN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2F)CC1=O 95387142 NCVGKJIEAVRNSL-LBPRGKRZSA-N 375.366 1.871 0 50 GDAA CCC[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)N1CCc2sccc2C1 182760388 BQRYJRGXERPYKS-AWEZNQCLSA-N 398.492 1.908 0 50 GDAA COc1ccc2cnn(CC(=O)N[C@@H](CO)Cc3ccccc3)c(=O)c2c1OC 252481521 CNJMAYDUQFDMHK-MRXNPFEDSA-N 397.431 1.134 0 50 GDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252537059 KFFKFURIFBILHY-USXIJHARSA-N 375.469 1.657 0 50 GDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccco1 299786324 JMPIATBMBFEZJR-QGZVFWFLSA-N 375.469 1.359 0 50 GDAA Cc1cccc2nc(CN(C)C(=O)NC[C@@H]3CCCN(S(C)(=O)=O)C3)[nH]c12 584887405 NWUMDRCHCZVCIF-AWEZNQCLSA-N 393.513 1.684 0 50 GDAA CS(=O)(=O)c1ccc([C@@]2(NC[C@@H](O)COCc3ccco3)CCOC2)cc1 1875391978 VJNVFFYKMUWKJL-VQIMIIECSA-N 395.477 1.466 0 50 GDAA C=CC(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)CC[C@H]1c1ccc(F)cc1 1875371336 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CN1CCN(C(=O)CCN(C)Cc2cc3c(cc2OC(F)F)OCO3)CC1 170601595 HIBKQYFPUBHAQG-UHFFFAOYSA-N 385.411 1.613 0 50 GDAA C[C@@H](NS(C)(=O)=O)c1nnc(-c2ccc(=O)n(-c3cccc(F)c3)c2)o1 1327307484 YVNDAFASFVCSAJ-SNVBAGLBSA-N 378.385 1.637 0 50 GDAA CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 281812079 QERDXUJYPJTNPO-IAISJRAMSA-N 379.482 1.539 0 50 GDAA COc1cccc(C(=O)N2CCC(C(=O)Nc3nonc3NC(C)=O)CC2)c1 1529196790 HJMAWEZNSPYXOO-UHFFFAOYSA-N 387.396 1.528 0 50 GDAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529111944 BZZZVRDDGKSVHQ-SJLPKXTDSA-N 380.452 1.443 0 50 GDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC(=O)NC2CC2)ccc1F 1704329522 WDUKTYOPUDXLIW-UHFFFAOYSA-N 376.388 1.564 0 50 GDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)c2)o1 1704299818 UHOJUCTZCCETHD-UONOGXRCSA-N 380.422 1.415 0 50 GDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccc(Br)c1 12436545 WKJCWCYWGAZBJM-LOUJCGABSA-N 399.237 1.835 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)NCCc3csc(=N)[nH]3)CC2=O)s1 1857719730 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NCc1nc(C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 2325865834 ROEBIXXPPWVPGT-UHFFFAOYSA-N 383.348 1.878 0 50 GDAA C=CC(=O)N1CCCc2cc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)ccc21 2325889703 KEIUJYYXUDFTKP-HNNXBMFYSA-N 377.466 1.045 0 50 GDAA CCn1cccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(CNC(C)=O)C2)C1 2332237755 KLEFHUUINJILMC-CSLYMUCUSA-N 381.498 1.100 0 50 GDAA COc1ccccc1NC(=O)c1c(C)[nH][nH]c1=NC(=O)C12C3C4C5C3C1C5C42 2332238128 OKHPJBZDLOZFQO-UHFFFAOYSA-N 376.416 1.707 0 50 GDAA COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCCC1 1360727 YJIWTUQQODORSR-UHFFFAOYSA-N 375.450 1.805 0 50 GDAA CCOC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 4188501 TVNCVEZSIFBWGO-UHFFFAOYSA-N 399.469 1.113 0 50 GDAA Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1CCc1ccccc1 12529578 LFKTWPQZFMBSBO-UHFFFAOYSA-N 395.463 1.391 0 50 GDAA NC(=O)CNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 14952245 NOTWOFPGSLUKCT-HNNXBMFYSA-N 379.464 1.450 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](N2CCOCC2)CO3)cc1 20368225 HSSONONAMKJQQW-KRWDZBQOSA-N 380.510 1.639 0 50 GDAA COc1ccccc1CN1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 20599865 LOADMVNFQVSHLI-UHFFFAOYSA-N 386.500 1.243 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 29521610 XTWAHOVFWWTZIA-UHFFFAOYSA-N 379.526 1.617 0 50 GDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)CNS(C)(=O)=O)CC2)c1 67459032 CZGQRRSUKMTHOO-UHFFFAOYSA-N 392.481 1.341 0 50 GDAA Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 72119330 HCVNRCNTXXHCFH-UHFFFAOYSA-N 383.514 1.317 0 50 GDAA C[C@@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1n[nH]c(=O)[nH]1 72129424 OZHVSJCOXLOFHM-MRVPVSSYSA-N 381.318 1.248 0 50 GDAA Cn1cc(CCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)cn1 77426244 XYAOZFBOUFADPG-FUHWJXTLSA-N 384.484 1.158 0 50 GDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc(Cn2cnnn2)cc1 82107602 IFCBJKUTYDPDLQ-UHFFFAOYSA-N 376.380 1.439 0 50 GDAA COCCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1c(C)noc1C)CC2 91434390 ZMWIOONZESOWKM-UHFFFAOYSA-N 399.513 1.721 0 50 GDAA CN(C)Cc1csc(CN2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)c1 91616426 BLVCTCYIEYQORP-RTBURBONSA-N 380.602 1.488 0 50 GDAA CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 92022283 SNCIIFLALPGDPJ-MRXNPFEDSA-N 386.496 1.829 0 50 GDAA COCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)s1 95505551 RIIVRXCUTFJLMJ-QWHCGFSZSA-N 379.482 1.046 0 50 GDAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)c3cnc[nH]3)CC2)c1 95519562 BWJUXCJTTBWCTQ-UHFFFAOYSA-N 399.495 1.727 0 50 GDAA COCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@]2(C(=O)O)C1 96153984 GKOVYMKQQCEYFB-SJCJKPOMSA-N 387.263 1.985 0 50 GDAA Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cs1 119245450 FQSDDECLKLDDIJ-SECBINFHSA-N 378.522 1.645 0 50 GDAA Cc1cc(N2CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)n2ncnc2n1 151095348 FWRUMYVFKIFGJY-MRXNPFEDSA-N 382.399 1.224 0 50 GDAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccccc1 195407602 RAFNPBWVCMXROC-DEGRCIOYSA-N 379.412 1.856 0 50 GDAA CCc1cc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)ccc1OC 219429862 HEKQXNWWYIPGMC-LEHRNKBSSA-N 379.482 1.782 0 50 GDAA C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)Cn1nc2ccccn2c1=O 225740792 SZWTVSXRWHMSJF-IERDGZPVSA-N 396.447 1.065 0 50 GDAA COCc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 263568823 YUYWFJQRRYXFIQ-OAHLLOKOSA-N 379.434 1.816 0 50 GDAA CNS(=O)(=O)c1cccc(CN2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)c1 277141288 AKUNDHBNOAWJJF-QGZVFWFLSA-N 387.461 1.600 0 50 GDAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(Cl)c(-c5nnn[nH]5)c4)[C@@H]1[C@H]3C2 285311240 MBESGMNWAYAXNB-UBSPAHDZSA-N 395.872 1.564 0 50 GDAA NC(=O)[C@]1(O)CCCN(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)C1 291039718 UPVFPGBQRAMJCD-RXVVDRJESA-N 388.512 1.311 0 50 GDAA COc1cccc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 328625671 KXHXBBZEIWZFCX-QGZVFWFLSA-N 377.466 1.360 0 50 GDAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1sc(-c2ncccn2)nc1C 332157428 QAXCJWONLZVPPY-LLVKDONJSA-N 381.483 1.062 0 50 GDAA c1ccc(Cc2nnc3n2CCN(Cc2nnnn2CC2CCOCC2)C3)cc1 375720108 PYFKMWXBCYPYCM-UHFFFAOYSA-N 394.483 1.298 0 50 GDAA COc1ccc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1OCCN 426503989 LSOYUXBAJWXPIY-UHFFFAOYSA-N 390.528 1.275 0 50 GDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C2 426519210 HGXFAALCQGSRSU-HXUWFJFHSA-N 383.496 1.863 0 50 GDAA CCc1ccc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)nc1 426578717 OHLXIUBUCZLXII-SFHVURJKSA-N 384.528 1.984 0 50 GDAA COc1coc(C(=O)N2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)cc1=O 426598842 JIPSWWIDRCVASI-ZUOKHONESA-N 390.436 1.440 0 50 GDAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccccn2)CC1 454326340 GEKZCDJDUWVZDS-INIZCTEOSA-N 380.514 1.659 0 50 GDAA Cc1nn(C)c(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1Cl 670467512 XPRPFAJBLGSTQW-RNFHDMOYSA-N 399.926 1.679 0 50 GDAA CC(=O)N1CC[C@@]2(O)CCN(CCC(=O)Nc3cccc(Cl)c3)C[C@H]2C1 1076096076 WJJYMVLMEBKWQW-KXBFYZLASA-N 379.888 1.974 0 50 GDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529168784 LQSLLXZCPJUMFX-MSOLQXFVSA-N 390.871 1.985 0 50 GDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CCN21 1616084069 KPINSSDGJOFKBI-OLZOCXBDSA-N 376.482 1.618 0 50 GDAA Cc1cccc(Nc2nc(N)nc(CN3CC[C@@]4(CO)CCCN[C@@H]4C3)n2)c1 1704338493 CYYIWUDESPEJOP-OXQOHEQNSA-N 383.500 1.442 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CN3CCOC3=O)CC1)OCC2 1704342001 BHRWCFYPRDSVLG-UHFFFAOYSA-N 390.436 1.546 0 50 GDAA CN(C)S(=O)(=O)CCCN1CCCN(C(=O)c2cccc(F)c2F)CC1 1772709243 IOVXDPKEFAAGEZ-UHFFFAOYSA-N 389.468 1.394 0 50 GDAA Cc1cccn2c(CC(=O)N3CCC4(CC3)NCC(C)(C)CNC4=O)cnc12 1772813816 VUNCBCMEFZJUMM-UHFFFAOYSA-N 383.496 1.292 0 50 GDAA COCc1cc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)[nH]n1 1772819021 NPENQYDLRNAGOU-GFCCVEGCSA-N 391.497 1.271 0 50 GDAA O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1775981087 NZYYMQYBWWVBTR-LBPRGKRZSA-N 387.509 1.613 0 50 GDAA CN1C[C@@H](c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)CC(C)(F)F)C2 1857531929 GKEKJYFIIWYYFB-AWEZNQCLSA-N 395.454 1.216 0 50 GDAA Cc1cnc(CNC(=O)[C@@]23CCCN(Cc4cncnc4)[C@H]2CN(C)CC3)cn1 1857672009 DFZOXIBBWXQZMY-PZJWPPBQSA-N 395.511 1.178 0 50 GDAA COCC(=O)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)N3CCCCC3)C[C@@H]2C1 1857691275 CRSAGGBIAFTQHG-DBXWQHBBSA-N 399.491 1.446 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCC(O)CC2)C[C@H]1Nc1ncc(F)cn1 1857692513 IUCYAODBLTUOMU-IAOVAPTHSA-N 380.464 1.975 0 50 GDAA O=C([C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCS(=O)(=O)CC1 1857701747 OGFVPJHOIGUIOD-GFCCVEGCSA-N 397.884 1.955 0 50 GDAA O=C(NCCc1ccncc1)[C@H]1[C@@H]2CC[C@H]1CN2C(=O)c1cnc2cccnn12 1857702045 XOOVXCRIIKHEAM-TXPKVOOTSA-N 390.447 1.334 0 50 GDAA Cc1ccc2oc(N3CCC(C(=O)N[C@@H](CCCCN)C(=O)O)CC3)nc2n1 1857709905 XLJPBJGVXSXPIE-AWEZNQCLSA-N 389.456 1.446 0 50 GDAA Cc1c(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)cnn1C 1857721746 DJCTYEOZFFGJQI-SFTDATJTSA-N 398.507 1.768 0 50 GDAA Cc1ccc2nc(C(=O)N3C[C@@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)c(F)n2c1 1857726858 GKASPHOJOXSQLB-RPLGYBLPSA-N 395.434 1.991 0 50 GDAA O=C1NCC2(CCN(C(=O)C[C@H]3CCCN(c4nc5ncccc5o4)C3)CC2)O1 1857730603 XHDUNZDXRFBADJ-CQSZACIVSA-N 399.451 1.930 0 50 GDAA COc1cccc(CN2CCN(C(=O)[C@H]3CC[C@H](N)[C@@H](OC)C3)CC2=O)c1 1857730946 DNHAUGOEDRBKKC-SZMVWBNQSA-N 375.469 1.008 0 50 GDAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3ccc4nnnn4c3)[C@H]3CC[C@]2(C1)O3 1857731065 JKXOHQFCTUMEIY-XKGFGPFHSA-N 396.495 1.690 0 50 GDAA C[C@@H]1CN2C[C@H](NS(=O)(=O)c3cccc(OC(F)(F)F)c3)C[C@H]2CO1 1875245397 YBMITEWFKAWNMO-UTUOFQBUSA-N 380.388 1.725 0 50 GDAA Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@@H](O)[C@](CC4CC4)(C(=O)O)C3)c2n1 1875249579 DXHKJDREGXPUND-FOIQADDNSA-N 386.452 1.732 0 50 GDAA COc1ccc2ncccc2c1C(=O)N[C@H]1CCOC12CCS(=O)(=O)CC2 1875326517 KABWOTSAESPIIH-INIZCTEOSA-N 390.461 1.710 0 50 GDAA O=C1CO[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)N1 1940195079 LJMARSKPWZKXDB-RTWAWAEBSA-N 393.443 1.686 0 50 GDAA O=C(N[C@@H]1CC[C@H](C(=O)N2CCc3ncccc3C2)C[C@H]1O)c1cccc(O)n1 2100544914 AZYIBCDUJIXWSG-FDQGKXFDSA-N 396.447 1.027 0 50 GDAA C[C@H](NC(=O)COc1cccc(C(N)=O)c1)C(=O)N1c2ccccc2C[C@@H]1C 2325751306 JVFNFNUXOPUAFL-KBPBESRZSA-N 381.432 1.647 0 50 GDAA CCCCC1(C(=O)N[C@@H]2CC3(CN(C(=O)c4cnnn4C)C3)n3ccnc32)CC1 2332238011 VABIYLQYXFXCME-CQSZACIVSA-N 397.483 1.394 0 50 GDAA O=C([C@H]1CCn2nccc2C1)N1CCc2nc(CCc3ccccc3)nn2CC1 2356150224 RVRXMAKAEGPGOR-SFHVURJKSA-N 390.491 1.907 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 2356157148 BZDBKAXDCDDGNT-UHFFFAOYSA-N 386.477 1.860 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 2356170283 SPCRMMVITCXCKK-MGPQQGTHSA-N 393.509 1.844 0 50 GDAA CCNc1nc(NC(C)C)nc(Oc2ccc(OCC(=O)OCC)nn2)n1 1158214 KADUWWPTLDLXQY-UHFFFAOYSA-N 377.405 1.648 0 50 GDAA COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 4225894 WPSWYXLTHAHNGW-UHFFFAOYSA-N 394.840 1.390 0 50 GDAA CCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1 4865345 KIXBNACUARFRKC-UHFFFAOYSA-N 396.443 1.450 0 50 GDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10323900 OIACTWIJJYUAJA-LBPRGKRZSA-N 388.461 1.386 0 50 GDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C 12309009 RMZAPVJLODKITC-LJQANCHMSA-N 396.491 1.748 0 50 GDAA COc1cc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1C 19821079 ZNTXEHTUVVOXTC-PBHICJAKSA-N 387.523 1.347 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 20654221 MSDNOGGAIGRIGS-SQUITACLSA-N 391.537 1.516 0 50 GDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71335243 DMSHJYSWKQMDLE-GOSISDBHSA-N 395.390 1.862 0 50 GDAA CCc1nc(C)c(C(=O)N2CCC[C@]3(CO)CN(C(=O)C4CC4)CC[C@@H]23)o1 72128075 WFYWCDUSMQFWFO-FOIQADDNSA-N 375.469 1.771 0 50 GDAA O=C(CCc1cc2n(n1)CCCNC2)NCC1(N2CCOCC2)CCCCC1 72410871 RKMZNTDCPPWRMH-UHFFFAOYSA-N 389.544 1.460 0 50 GDAA CC(C)CN1CCn2nc(CNC(=O)c3ccc(-n4cnnc4)nc3)cc2C1 91849068 PFTUDIKHDANKIE-UHFFFAOYSA-N 380.456 1.260 0 50 GDAA Cc1ccccc1CC1(NC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)CC1 91876583 YAWHVLOSLHKZRX-RTBURBONSA-N 385.508 1.271 0 50 GDAA COCC(=O)N1CCC(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)CC1 95517114 APFBNUNCIZUOND-OAHLLOKOSA-N 377.460 1.653 0 50 GDAA Cc1nc(C)n(CCCNC(=O)Nc2cc(NS(C)(=O)=O)ccc2C)n1 95519615 SXXJOCBQVUZYLM-UHFFFAOYSA-N 380.474 1.787 0 50 GDAA CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1NS(=O)(=O)N(C)C 95525183 KRNQCTPLNVNMTK-WDEREUQCSA-N 379.935 1.894 0 50 GDAA COc1cc(CN2CCCOCC2)ccc1OC[C@H](O)CN1CCSCC1 95528263 IMPKXQOSMNHTEJ-GOSISDBHSA-N 396.553 1.706 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1 95530517 QJOKGQOKFMPYPU-CYBMUJFWSA-N 379.420 1.230 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(SC)cc3)C[C@]2(C(=O)O)C1 96137862 XXKZPGCSWSAXHW-YOEHRIQHSA-N 384.523 1.577 0 50 GDAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)N(CCO)Cc2ccco2)c1 96151700 ZKUZMVIJRAZUGH-UHFFFAOYSA-N 382.442 1.524 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cc3ncccn3n2)CC1 96165998 SRJXPGKAYYZZLS-UHFFFAOYSA-N 382.472 1.422 0 50 GDAA CN1CCN(c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)nn2)CC1 97743475 FDZRNCDMPKFQKY-UHFFFAOYSA-N 389.525 1.972 0 50 GDAA COCCN1CC[C@]2(CCC1=O)CN(CCOc1ccccc1)CCN2C 107419831 OXKPOLZKUGQWNG-OAQYLSRUSA-N 375.513 1.711 0 50 GDAA NC(=O)c1cnn2c(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)ccnc12 155193998 KHGIAAPSFGRVDQ-ZDUSSCGKSA-N 398.492 1.532 0 50 GDAA CCCCNC(=O)CN1C(=O)N[C@@H](c2ccc(OCC)cc2)C2=C1COC2=O 169760843 RCQVOMNNEGMGNW-SFHVURJKSA-N 387.436 1.879 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(C[C@@H](O)COC(C)(C)C)CC2)c(C)s1 178518817 MELNAASYEAMVGF-OAHLLOKOSA-N 390.571 1.847 0 50 GDAA CN(C)C1(CNC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)CCOCC1 186775057 ZPAYVDXEXABEJR-UHFFFAOYSA-N 376.505 1.230 0 50 GDAA Cn1cc([C@@H](NC(=O)CCn2c(CO)nc3ccccc32)C2CC(O)C2)cn1 220116075 SRORSUCEECJCJU-IELXDLANSA-N 383.452 1.281 0 50 GDAA Cc1cc(=O)c2ccccc2n1CC(=O)NCCc1noc([C@@H]2CCCO2)n1 221170276 ZHGVMOCQAYWCJU-KRWDZBQOSA-N 382.420 1.903 0 50 GDAA Cn1c(=O)c2cc(C(=O)N3CCC(OC4CCCC4)CC3)cnc2n(C)c1=O 225525020 QXODXQJMXBJJTO-UHFFFAOYSA-N 386.452 1.196 0 50 GDAA CCn1nccc1CN(C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 225673166 GGIDVTZIPCVPFH-UHFFFAOYSA-N 379.486 1.238 0 50 GDAA CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1=O 267225798 BNRPSFFLXJYGCX-HOCLYGCPSA-N 386.452 1.583 0 50 GDAA CNS(=O)(=O)c1cc(-c2nc(C3(NC(C)=O)CCCCC3)no2)c(C)o1 267546276 DKVDSUOHSXJMEN-UHFFFAOYSA-N 382.442 1.842 0 50 GDAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 267661537 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C[C@@H](C(=O)Nc1ccccn1)N1CCn2nc(CNC(=O)C3CCC3)cc2C1 426712838 XBIYRFARJGQCIG-AWEZNQCLSA-N 382.468 1.537 0 50 GDAA Cc1ccnc2nc(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)nn12 428466901 WQDFIMHXTNCEOO-UHFFFAOYSA-N 379.829 1.420 0 50 GDAA CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 448013083 LPWOQDRRIWRENU-GDZNZVCISA-N 383.470 1.395 0 50 GDAA CC1(C)CN(C(=O)NCc2ncccc2S(C)(=O)=O)C[C@@H](C(F)(F)F)O1 490369763 CHIZAXGKVMKTJP-LBPRGKRZSA-N 395.403 1.736 0 50 GDAA CSCC[C@H](C(=O)NCC1CCOCC1)n1c(O)nc2ccccc2c1=O 888089672 VYWCFASORHMQNS-MRXNPFEDSA-N 391.493 1.939 0 50 GDAA CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 900074183 UTBMUUBFZUJAKO-LKFCYVNXSA-N 391.781 1.473 0 50 GDAA C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccnc(-c2ccco2)c1 932116014 KKFSPPUFCLLRTI-SJLPKXTDSA-N 384.480 1.819 0 50 GDAA Nc1ncc(C(=O)N2CCC[C@H](CNC(=O)c3ccc4nc[nH]c4c3)C2)s1 952965536 ALWJSUKLJNNVQC-LLVKDONJSA-N 384.465 1.884 0 50 GDAA Cc1occc1C(=O)N1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 1772706012 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O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NCc3nccn3-c3ccccc3)C2)c1 2325786111 AGGDKNRCWKFZGJ-BMGDILEWSA-N 381.436 1.696 0 50 GDAA COc1cc2c(cc1OC)C1(CCN(C[C@]34CNC[C@H]3COC4)CC1)OCC2 2356161994 RXCAATMEGBGLRV-UWJYYQICSA-N 388.508 1.804 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4ccc(N5CCOCC5)nc4)C[C@@H]13)O2 2356165073 RSVQLBRNGHSPMU-WKRCXCSHSA-N 386.496 1.099 0 50 GDAA O=C(O)CN1C(=O)/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 6659024 VNWIVEYWSNICPN-NXVVXOECSA-N 377.381 1.258 0 50 GDAA CCn1cc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cn1 20996839 LDWHPRFFQBJSMW-IBGZPJMESA-N 388.512 1.989 0 50 GDAA CN1CCC(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 67620762 ALKUDMOKGVDMBD-UHFFFAOYSA-N 397.497 1.172 0 50 GDAA Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCCC2)n1 67620571 QCYCFQWWYMMGSG-UHFFFAOYSA-N 388.497 1.291 0 50 GDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 65363597 PHZDEVAIBBJXPX-UHFFFAOYSA-N 379.482 1.533 0 50 GDAA CNC(=O)c1ccc([C@@H]2CCCCN2CCN2C(=O)C(C)(C)N=C2O)n1C 328634707 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O=C1CN(c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)C(=O)N1 91364531 AZBRNOWMSHHMKQ-UHFFFAOYSA-N 377.404 1.982 0 50 GDAA O=C(O)CN1CC2(CCC1=O)CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 91830056 CWSQGNLOQJGQLV-UHFFFAOYSA-N 388.420 1.274 0 50 GDAA O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccccc1 239025558 BTQJJCMOGKDUQE-HSGSIZQLSA-N 380.400 1.221 0 50 GDAA Nc1nnc(SCC(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 95500245 BBGVQEBIKBYXIM-LBPRGKRZSA-N 399.542 1.090 0 50 GDAA CN(Cc1cccnc1Cl)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2)CN1 67742525 CEWFSEMYEWXWCE-CVEARBPZSA-N 390.846 1.993 0 50 GDAA O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 1875283115 GQBLBVRYLUPCLY-TZMCWYRMSA-N 380.374 1.845 0 50 GDAA Cc1cccc(C(=O)N2CC[C@H]([C@@H]3CCCCN3C(=O)CCn3cnnn3)C2)c1 1875310335 MTAKNMASDSIXFZ-OALUTQOASA-N 396.495 1.915 0 50 GDAA CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccsc2Cl)c1 1875317154 PQBNBMAPIUPYNZ-UHFFFAOYSA-N 380.900 1.788 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CC(OC(C)C)C3)C2)c1C 1875397471 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377.558 1.667 0 50 GDAA Cc1cccc(-n2nc(CC(N)=O)nc2-c2cccc(N3CCCC3=O)c2)n1 1857679415 LAQJACXLCXDFAF-UHFFFAOYSA-N 376.420 1.792 0 50 GDAA COc1nccnc1N1CCC2(CC1)CC(=O)N(CC[C@H]1CCOC1)CCO2 1857684519 REYCOGBYBBDJKG-INIZCTEOSA-N 390.484 1.500 0 50 GDAA Cn1cc(Cl)cc1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857724316 UXDAABKTUBXDAA-STQMWFEESA-N 395.868 1.633 0 50 GDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cc3cnc4c(C)cccn34)CC(=O)N21 1857725895 RPTALISXSAOWRV-ULQDDVLXSA-N 398.463 1.196 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-n3cccn3)cc2)[C@H]1c1cnn(C)c1 1857725926 AIGQWJKWPBCCIK-PMACEKPBSA-N 394.479 1.750 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)N3CCC(C(F)(F)F)CC3)CC2=O)s1 1857726098 WNRDJSCTWKDYQC-SECBINFHSA-N 392.403 1.838 0 50 GDAA COc1ccccc1OC(C)(C)C(=O)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857737600 UMZFGRMNNRJTML-JYJNAYRXSA-N 378.469 1.193 0 50 GDAA O=C(CCc1nc(-c2ccccc2F)no1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875246069 YESUAQLQWSFQRH-KUHUBIRLSA-N 386.383 1.368 0 50 GDAA 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C[C@H](CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)Cn1cccn1 239637078 BISDCNUODRCDFA-KYJSFNMBSA-N 386.500 1.757 0 50 GDAA COc1ccccc1-n1cc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)cn1 244778664 PUKAQCZVMKBXRZ-MQMHXKEQSA-N 382.424 1.178 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CCO1 269043852 RXRIXRIKKYHWNJ-DGCLKSJQSA-N 376.438 1.362 0 50 GDAA CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)CC1 273623142 BDAXBXMLVYXPNZ-INIZCTEOSA-N 399.488 1.315 0 50 GDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1C(=O)O 275189245 XNUUHRQLAOCNGV-DTWKUNHWSA-N 399.318 1.641 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2c(Cl)nc3ccccn23)C1 276529851 QZPRIXXXETWPPY-GFCCVEGCSA-N 385.859 1.706 0 50 GDAA COCCn1nnc2c1CCN(C(=O)c1cnn(Cc3ccc(OC)cc3)c1)C2 294498385 XMSLCCZCHMTSDF-UHFFFAOYSA-N 396.451 1.376 0 50 GDAA Cn1c(=O)oc2cc(NC(=O)NC[C@@H]3CCCN(c4ncccn4)C3)ccc21 299768346 IRQYLBAQDXVXPM-ZDUSSCGKSA-N 382.424 1.960 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2C)C[C@H]1c1ncc[nH]1 328642323 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O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(Cn2cnnn2)cc1 828157776 MHJBUKUXXOWKTP-INIZCTEOSA-N 380.408 1.349 0 50 GDAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 858416130 IQRWBDVZMVAGSN-UHFFFAOYSA-N 383.370 1.634 0 50 GDAA CC(C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CC2(O)CCC2)CC1 952835177 AKDOEGAAUQZGHR-IRXDYDNUSA-N 378.517 1.017 0 50 GDAA CC1(C)CN(C(=O)c2cn(CCN)nn2)[C@@H]1c1nccn1-c1cccc(F)c1 952895410 UUWRPZQXGOQVKY-MRXNPFEDSA-N 383.431 1.785 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]c2c1COCC2 1303552938 RLOOHHUGOQNLFK-QGZVFWFLSA-N 385.399 1.789 0 50 GDAA CN(C)C(=O)C(C)(C)NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704328233 LPGPGZJSJKBQQK-UHFFFAOYSA-N 386.452 1.775 0 50 GDAA O=C(CN1CCOC1=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@]2(CO)C1 1772705735 MWQZANBKJRWLPH-KKSFZXQISA-N 399.447 1.138 0 50 GDAA CN(C)C[C@]12CN(C(=O)C3CC=CC3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772711822 KNZOOWFXFJQKQX-WIYYLYMNSA-N 375.513 1.228 0 50 GDAA O=C(O)CNC(=O)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(CCc2ccccc2)C1 1772814216 OGTOPENEACEUHU-GCJKJVERSA-N 399.491 1.974 0 50 GDAA COc1cc(C)ccc1C(=O)N1CC[C@@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 1775991726 MLSOGWZQCWJAER-UZLBHIALSA-N 388.468 1.315 0 50 GDAA COc1ccc(C(=O)N[C@@H]2CN(c3noc(-c4ccccc4)n3)CC[C@@H]2O)cn1 1857675578 FALVJXVHLCKGDD-CVEARBPZSA-N 395.419 1.510 0 50 GDAA COC(=O)c1c[nH]c(=N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cn1 1857722075 AWDJINFKNGVPPJ-HLLBOEOZSA-N 388.855 1.965 0 50 GDAA O=C(COc1cccc(F)c1)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C1CC1 1857724394 BGSMZJNECDYYCS-HZPDHXFCSA-N 393.440 1.433 0 50 GDAA CCc1nc(CN2C[C@@H]3[C@H](CNC(=O)c4occc4C)[C@H]4CC[C@]3(C2)O4)no1 1857733365 HMVKPVUWJBKWCA-LYKCQVCGSA-N 386.452 1.943 0 50 GDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CN4CCOc5ccccc5C4)[C@@H]2CC(=O)N13 1857735525 QUNKBTLAJIYXBO-KPLVRAHFSA-N 399.491 1.465 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cc(C)nn2C)cc1OC 1875243436 HDHUAQMQJHBYNP-ROUUACIJSA-N 375.425 1.320 0 50 GDAA O=C(NC1CC1)[C@H]1CC[C@H]2OCCN(C(=O)CCc3cc(Cl)no3)[C@@H]2C1 1875246020 XKWWNZFJIMIOMO-NILFDRSVSA-N 381.860 1.935 0 50 GDAA O=C(CCc1ccc(O)nn1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1875249754 XPKKRWDTHPBCSK-ROUUACIJSA-N 396.447 1.143 0 50 GDAA COCCn1nc(C(=O)N2CC(n3nc(C)nc3C)C2)c2c1[C@H](C)O[C@H](C)C2 1875300331 YNPUMKOONNUVJP-NEPJUHHUSA-N 388.472 1.457 0 50 GDAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc2c([nH]1)CCCC2=O 1875300475 DRCKCWHUMSGUBF-LJQANCHMSA-N 395.459 1.734 0 50 GDAA COc1cc2c(cc1OC)[C@@H]1CC(=O)N[C@@H](c3cnn(C)c3C)C(=O)N1CC2 1875310779 CABDNCRVGXDKCC-KXBFYZLASA-N 384.436 1.433 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 1875370425 OFPXEHZNPLHAFX-GOSISDBHSA-N 385.464 1.337 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cccn4nccc34)C2)c1C 1875399428 BXXLPUAGQFLCJQ-QGZVFWFLSA-N 393.495 1.811 0 50 GDAA O=C(NCCn1cc(Cl)c(C(F)(F)F)n1)c1cnnn1C1CCNCC1 1875404720 RLKNAOHTQZPDLX-UHFFFAOYSA-N 391.785 1.501 0 50 GDAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1cc(=O)n(C)c(=O)n1C 1940197710 KSXQHJNBBCFRMS-UHFFFAOYSA-N 387.827 1.543 0 50 GDAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCCc4c3ncn4C)C2)ccn1 2325780254 SYTOCGONAHCQLH-MSOLQXFVSA-N 397.479 1.551 0 50 GDAA O=C(CCc1nc[nH]n1)N[C@H]1CC2(CN(CC3CC4(CCC4)C3)C2)n2ccnc21 2332237568 BLDHTAROMHTZLC-INIZCTEOSA-N 395.511 1.786 0 50 GDAA COc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1 972699 QIIKBUSMDFGTAL-UHFFFAOYSA-N 375.410 1.695 0 50 GDAA CCc1nc(CN(C)C(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)no1 2356143976 FHBVMMUTCYAMFQ-CGSMKXTHSA-N 395.463 1.922 0 50 GDAA Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 6668477 OWXPZJCETALHIG-UHFFFAOYSA-N 394.497 1.110 0 50 GDAA O=C(Nc1nncs1)C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55109007 XRILRCXYIMKBOX-UHFFFAOYSA-N 397.416 1.829 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)NCCCN1CCc2ccccc21 55211831 ZRGIBOHQOBOZTB-HXUWFJFHSA-N 396.491 1.539 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)ccc21 250417013 AXHPSPPHMVGTNC-CSOUEMRRSA-N 375.494 1.980 0 50 GDAA COc1cccc([C@H](C)C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 328634225 TUPAZDNKWUTDRT-GUYCJALGSA-N 377.466 1.531 0 50 GDAA Cc1cc(CN(C)C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n[nH]1 12317448 BNDDKSHGIPVIGB-IBGZPJMESA-N 378.423 1.982 0 50 GDAA O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NC[C@@H](O)[C@H]1CCOC1 436521710 GQBWIJGNYALCIA-YSIASYRMSA-N 398.459 1.767 0 50 GDAA COCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(OC)c(OC)c3)CC[C@@H]21 11980663 CCLCUYJKFWUXMH-CVEARBPZSA-N 376.453 1.803 0 50 GDAA Cc1nn(CCCNS(=O)(=O)c2cnn(C)c2)c(C)c1Br 2803861 QAPDKLNPWNTDTK-UHFFFAOYSA-N 376.280 1.365 0 50 GDAA Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 283171819 KQLVTUQWQAKHDZ-ZDUSSCGKSA-N 380.445 1.461 0 50 GDAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 72117419 LYGQOROMFHXOMD-SFHVURJKSA-N 395.525 1.707 0 50 GDAA Cn1cc(C[C@@H]2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cn1 363587813 DUPYUJHEPCQMRP-HNNXBMFYSA-N 381.480 1.815 0 50 GDAA Cc1cccc2c(=O)n(CC(=O)N3Cc4ccccc4C[C@H]3C(=O)O)cnc12 237833150 KFCAWSVBKGXXBN-KRWDZBQOSA-N 377.400 1.743 0 50 GDAA Cc1nnnn1-c1cc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1F 370507389 JJRDNTJYWQASSR-VNBZBWLYSA-N 390.419 1.910 0 50 GDAA CCOCC(C)(C)NC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71748501 PZGDOZPNYRZQEW-OAHLLOKOSA-N 377.485 1.907 0 50 GDAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ncc2c(n1)CCCC2=O 35771237 RQHCEELVXDQVQM-UHFFFAOYSA-N 383.427 1.895 0 50 GDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnn2cc(CCO)cnc12 77388663 QIUCXQRIXJDYGK-UHFFFAOYSA-N 376.420 1.722 0 50 GDAA COCCN1C[C@@]2(CCCN(Cc3ccc(C(=O)N(C)C)o3)C2)CCC1=O 77521986 FOWIEAZHRWMRQL-FQEVSTJZSA-N 377.485 1.832 0 50 GDAA COc1cc(Cl)cc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCC(N)=O)oc12 220051737 OMXQHGOTEBKZRS-NEPJUHHUSA-N 382.800 1.484 0 50 GDAA CCOc1ccc(S(=O)(=O)N(Cc2cnn(C)c2)Cc2cnn(C)c2)cc1 20602501 KMUZIGCVXQBUKA-UHFFFAOYSA-N 389.481 1.943 0 50 GDAA COc1cccc([C@H]2CN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]2N)c1 91847756 VPHWRIOOOQWURD-CVEARBPZSA-N 378.432 1.509 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244701054 JZENGTPMKYLPGU-IIYDPXPESA-N 375.450 1.279 0 50 GDAA COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 245238262 HVBIWQZZDJWPTD-PMPSAXMXSA-N 389.481 1.649 0 50 GDAA CCOC(=O)c1nc(NS(=O)(=O)c2ccn(C)n2)sc1C(F)(F)F 864096672 PGXKKQIHAMPBMJ-UHFFFAOYSA-N 384.361 1.873 0 50 GDAA O=c1cc(CN2CCCCCC2)oc(CN2CCN(c3cnccn3)CC2)c1O 253395605 AMOXWDFJDNBYTM-UHFFFAOYSA-N 399.495 1.834 0 50 GDAA O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCN(c2ncccn2)CC1 263616825 KSVOWJLHYBYRLA-QGZVFWFLSA-N 391.435 1.302 0 50 GDAA CN(C)c1cccc2[nH][nH]c(=NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)c12 1940198017 HWXBHDXTBWRNTE-CYBMUJFWSA-N 378.436 1.433 0 50 GDAA C[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(-c2ccccn2)no1 670471877 HUBRGYLCNXREKV-LLVKDONJSA-N 379.376 1.978 0 50 GDAA Cn1cc(C2CCN(S(=O)(=O)c3cnn(C)c3Br)CC2)cn1 866819270 CYNOBPCEDKVHHJ-UHFFFAOYSA-N 388.291 1.484 0 50 GDAA NC(=O)c1ccc(C(=O)Nc2cccc(OCCN3CCOCC3)c2)s1 1875297542 VWQLXTGRUUAWBQ-UHFFFAOYSA-N 375.450 1.810 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)CC1 1875365238 JQOFQBRMMWCJOB-KRWDZBQOSA-N 375.856 1.764 0 50 GDAA CN(C)C(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccc3c(c1)OCO3)C2 1875394491 KEDBVUGBRAAARC-OGHNNQOOSA-N 383.404 1.662 0 50 GDAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 952980832 SNSFUTBRIGUGFM-LBPRGKRZSA-N 379.380 1.374 0 50 GDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952970757 WLIPICAKLZWGKV-LJQANCHMSA-N 386.419 1.627 0 50 GDAA CCCC(=O)NC[C@@H]1CCCN(c2nnnn2C[C@@H]2CC(=O)N(CCC)C2)C1 1334372015 PJXMUUXFMPUKNF-JKSUJKDBSA-N 391.520 1.064 0 50 GDAA Cc1cc(O)nc(N2CC[C@@H](NC(=O)[C@@H](O)c3ccccc3C(F)(F)F)C2)n1 1348176450 LCOVYBXSNYMEPS-ABAIWWIYSA-N 396.369 1.938 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565516244 SYWJQJZCILOZJB-STQMWFEESA-N 377.894 1.634 0 50 GDAA COc1ccc2[nH]cc(CC(=O)N[C@H]3CCCN(c4nccn(C)c4=O)C3)c2c1 275533322 DWZAYBURJPSOGX-HNNXBMFYSA-N 395.463 1.598 0 50 GDAA CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 408109130 XLHJNKCZTTZYDY-SJTFNBSGSA-N 384.523 1.698 0 50 GDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CCC(Oc2cnccn2)CC1 188643051 QJLJCWNDFGJZER-UHFFFAOYSA-N 382.424 1.170 0 50 GDAA C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc4c(=O)[nH]cnc4cn3)c2)CCO1 188605988 CWHSUGHPEKEEOG-CQSZACIVSA-N 393.447 1.469 0 50 GDAA O=C(NCC(=O)N1CCCc2ccccc21)c1ccoc1C1(O)CCOCC1 225504248 XSCLWCDCHPDLKI-UHFFFAOYSA-N 384.432 1.987 0 50 GDAA CN(Cc1ncnn1CC(F)F)C(=O)NCCc1ccc2c(c1)OCCO2 225622134 ISMZKKIIUACZMZ-UHFFFAOYSA-N 381.383 1.699 0 50 GDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(C)cc(C(F)(F)F)n2)C1 1506413673 LBIWPIMEOFGPSW-LLVKDONJSA-N 382.408 1.497 0 50 GDAA COc1cc(OC)c(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1OC 1704357597 TXVDRWJNQOVJRW-DOMZBBRYSA-N 375.425 1.420 0 50 GDAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC[C@H]1CCCO1 798668 WOWAHJWLJOANHU-QGZVFWFLSA-N 396.509 1.972 0 50 GDAA Cc1noc(C)c1CN1C[C@@H]2CN(C3CSCCSC3)C[C@@]2(CO)C1 1772711563 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CCOC(=O)N1CCC(N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)CC1 221293489 GNHIUELLBODEHC-SFHVURJKSA-N 379.505 1.305 0 50 GDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(Br)ccc1=O 238032551 HBIFJMRYYYRZOH-CQSZACIVSA-N 391.221 1.649 0 50 GDAA CCN1CCC[C@H]1CNC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 252491817 LUOGLFXWLSHYLH-ZWKOTPCHSA-N 386.496 1.735 0 50 GDAA COCCn1c(CN2CCN(c3ncccc3C)CC2)nnc1[C@H]1C[C@@H](N)C1 252553129 VGCLJDROQJHWDD-CALCHBBNSA-N 385.516 1.155 0 50 GDAA O=C(c1ccc(N2CCCC2)cc1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299764690 CIWGJGSTKVYKIV-UFGBVDADSA-N 386.492 1.915 0 50 GDAA Cc1ccc(Cl)c(C)c1NC(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1 299773878 FOUBVNUDBJDYAX-GFCCVEGCSA-N 375.878 1.739 0 50 GDAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 328594173 WJDWWOMLXJQVQT-LBPRGKRZSA-N 397.384 1.262 0 50 GDAA Cc1nnc([C@@H]2CN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CCO2)o1 365820483 XYOCBBMIQYUEQA-KGLIPLIRSA-N 394.790 1.876 0 50 GDAA O=C(NCC1(c2ccccc2)CCOCC1)c1cn(C[C@@H]2CCCNC2)nn1 426689197 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COc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2325787614 LOYBNQYHURTINM-JLNYLFASSA-N 380.466 1.641 0 50 GDAA C[C@H](C(=O)N[C@@H](C(=O)O)[C@H](O)c1cccnc1)c1cc2ccccc2nc1O 2325851775 IVIRSYYNOJWPPM-YMRXKLBXSA-N 381.388 1.742 0 50 GDAA COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC(F)(F)C1 2325878952 BUKUEPROZXUAEP-VIFPVBQESA-N 385.758 1.791 0 50 GDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)[C@@H]4Cc5ccccc54)cc3C2=O)C(=O)N1 2325887970 FBHVFLQLTIVHQZ-QZTJIDSGSA-N 389.411 1.726 0 50 GDAA O=S1(=O)CC[C@@H](n2nc(-c3cccnc3O)nc2-c2ccc3cc[nH]c3n2)C1 2356135645 NPLVGVILWXPIGR-GFCCVEGCSA-N 396.432 1.949 0 50 GDAA Cc1cc(O)n2nc(SCC(=O)N3CCC(OC(F)(F)F)CC3)nc2n1 2356142123 FWMLXKNIGDRLLO-UHFFFAOYSA-N 391.375 1.758 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCN(C)C4(CCOCC4)C3)cn12 2356144260 PIAKTUAUZUOBSE-KRWDZBQOSA-N 387.484 1.356 0 50 GDAA O=C1C[C@@H](C(=O)N2CCc3nc(-c4cccnc4)nn3CC2)c2ccccc2N1 2356148187 LERKHQHLBXMEIT-MRXNPFEDSA-N 388.431 1.851 0 50 GDAA 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COc1cccc(N2C[C@H](NC(=O)N(Cc3cnn(C)c3)C3CC3)CC2=O)c1 584885276 XSTHHPQCTSNMLI-OAHLLOKOSA-N 383.452 1.908 0 50 GDAA O=C(N1CC[C@H](n2cnc3ccccc3c2=O)C1)[C@]12CNC[C@@]1(C(F)(F)F)C2 1875392759 RSBJVQAIGCNALZ-IGNZVWTISA-N 392.381 1.712 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1cccnc1N(C)C)C[C@H](C)O[C@@H]2C 1875315650 CIQBJQBORLYDKJ-UONOGXRCSA-N 387.484 1.943 0 50 GDAA COc1cc(-c2noc([C@H]3CCc4nnn(C5CCN(C)CC5)c4C3)n2)ncn1 1775960330 GDCZJMLCLMUNLB-LBPRGKRZSA-N 396.455 1.666 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@H]1CO 275342544 RYKNDZHSTYNVAN-ZJUUUORDSA-N 392.271 1.469 0 50 GDAA CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(CNC(C)=O)cc2)c1 225722861 MWGJBPASJONFMB-UHFFFAOYSA-N 382.420 1.051 0 50 GDAA COc1cc(CC(=O)N2CCNC(=O)C23CCCCC3)cc(OC)c1OC 1506401771 NVOFUAHTTPHYCY-UHFFFAOYSA-N 376.453 1.916 0 50 GDAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H](O)C2)cc1Cl 1506420770 QXPYNTSOZRBATM-RYUDHWBXSA-N 383.297 1.688 0 50 GDAA O[C@@H]1CCCN(c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)C1 1529181919 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CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 136473858 DXMRMFCLICJUOH-KRWDZBQOSA-N 378.494 1.752 0 50 GDAA CCNC(=O)C[C@H]1CCCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 253423069 HPRPJWRVYGFWKO-HXUWFJFHSA-N 386.540 1.712 0 50 GDAA C[C@@H]1CN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)C[C@@H](C)N1 153677260 HOUACGQXCSJXJC-HTQZYQBOSA-N 394.266 1.058 0 50 GDAA COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)cc1OC 364349897 WHUIMSOSXXDIPY-CYBMUJFWSA-N 375.450 1.872 0 50 GDAA Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 923523748 ZSHXEZDVFNZHEA-SJORKVTESA-N 394.928 1.464 0 50 GDAA C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)C[C@H]1CS(N)(=O)=O 929101823 IAVFLVPWFPSADG-ZJUUUORDSA-N 376.276 1.837 0 50 GDAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCO)cc1 4626117 XLNNGOMMEDEJHR-UHFFFAOYSA-N 381.436 1.353 0 50 GDAA Cc1c(C(=O)NS(=O)(=O)CCc2ccc(Cl)cc2)cnc2ccnn12 2325819345 BPFRAXAIANQNMY-UHFFFAOYSA-N 378.841 1.993 0 50 GDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)cc1 2325889673 ICIUEXHDPGZTNI-UHFFFAOYSA-N 383.448 1.979 0 50 GDAA Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(C)(C)F 2332238059 XDHOZBHESFBVMB-OWCLPIDISA-N 396.484 1.376 0 50 GDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 248287949 HDSZBUPBDPSKAN-MSOLQXFVSA-N 395.525 1.370 0 50 GDAA Cc1cccc(CN2CCN(Cc3cccc(OCCO)c3)C[C@H]2CCO)n1 104361764 LKBCWTXAJYBGMF-OAQYLSRUSA-N 385.508 1.830 0 50 GDAA CCNC(=O)N1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 101984627 NBRFRIXWIPZVJO-HRCADAONSA-N 376.432 1.995 0 50 GDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 64800525 WEZWOSWDVBKKQP-UHFFFAOYSA-N 375.498 1.869 0 50 GDAA COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CC2 137858058 ZDFJEJSTTCFPJM-QZTJIDSGSA-N 383.496 1.768 0 50 GDAA C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O 20412035 MDFFDNJJPRNRLQ-INIZCTEOSA-N 377.448 1.697 0 50 GDAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 230136541 WZIBNZHJUJWPQE-HUUCEWRRSA-N 387.571 1.919 0 50 GDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@](O)(c2nc(C(C)C)no2)C1 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O=C1CC[C@@]2(CCCN(C(=O)c3onc4c3CCCC4)C2)CN1CCCO 426424198 FKQZVZPBDYDCDJ-FQEVSTJZSA-N 375.469 1.781 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)CCc3c(C)nn(C)c3C)cc2C1=O 82138449 XUYUODJIOXTYPH-UHFFFAOYSA-N 385.468 1.665 0 50 GDAA CCc1cc(N2CCCn3nc([C@@H](O)CO)cc3C2)nc(N2CCCCC2)n1 222840629 HGKXGPUUZSAVGA-SFHVURJKSA-N 386.500 1.662 0 50 GDAA O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 180279795 SPJNIINXGTUDLH-KRWDZBQOSA-N 390.447 1.505 0 50 GDAA Cc1cnn(CCc2nc(CC(N)=O)nn2Cc2c(F)cccc2Cl)c1 96160595 JCFOEGFDFWTFIH-UHFFFAOYSA-N 376.823 1.894 0 50 GDAA Cc1nn(C)c(C)c1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91745447 FGPNUABSJZMBBH-MJGOQNOKSA-N 377.533 1.340 0 50 GDAA CCCc1nc(C)c(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)s1 96138478 CWDKZWJDIUNHKT-CABCVRRESA-N 394.541 1.105 0 50 GDAA CC(C)(CCC(=O)O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 269213188 XCEVFZODZHRPBC-GOSISDBHSA-N 379.388 1.352 0 50 GDAA CN1CCN2c3cccc(Cl)c3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 245326390 JUSWLYJSOUWKDY-CQSZACIVSA-N 376.844 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COc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc(N)n1 95528902 KXESGILQXSBJRQ-UHFFFAOYSA-N 383.456 1.081 0 50 GDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc(-c3ccncc3)nc1)C2 97244198 GOPNVGOZTCVTKK-DOTOQJQBSA-N 381.436 1.248 0 50 GDAA NS(=O)(=O)CCNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 126224498 JFVZJZSQXFNDAX-IENTYSSBSA-N 379.320 1.515 0 50 GDAA Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1 143737811 JANBIXNDYNRYQP-UHFFFAOYSA-N 396.407 1.944 0 50 GDAA in-vitro CC1CCN(C[C@@H](O)CN2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 145660985 BKGDEBKBITUVIC-QGZVFWFLSA-N 381.542 1.509 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)Cc3noc4ccccc34)CCO2)cn1 189221621 PHHTWUMIKVUMOE-QGZVFWFLSA-N 376.438 1.948 0 50 GDAA CC(C)n1cnc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 190594453 QUPFVDWNYYLNGS-HNNXBMFYSA-N 380.445 1.683 0 50 GDAA N[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 238058556 UMBVMZPGSMEADR-ZANVPECISA-N 385.251 1.758 0 50 GDAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc2c(c1)OCCO2 239403341 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Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)c(OCCN(C)C)c1 859504842 LAHUPYQYVFANIE-UHFFFAOYSA-N 383.452 1.971 0 50 GDAA CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccncc2Cl)CC1 888103529 KYSDCMGHYFCRCK-ZWKOTPCHSA-N 391.903 1.714 0 50 GDAA C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)C1 919463477 DQTSBUBSZDFTNI-BETUJISGSA-N 382.420 1.837 0 50 GDAA CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 952963215 IYUQGGFDEQRWKB-KRWDZBQOSA-N 389.477 1.811 0 50 GDAA CC(=O)N1CCC(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 1444770274 RLHWMKBYTGETGP-OAHLLOKOSA-N 382.486 1.057 0 50 GDAA CC(C)n1c(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc2ccccc21 1529147023 SVAIHPFKPNBQCL-WMLDXEAASA-N 380.514 1.301 0 50 GDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CCN1CCCC1=O)C2 1529151151 GGTLHKNOPPXYQW-SBHAEUEKSA-N 379.545 1.448 0 50 GDAA Cc1n[nH]c(C)c1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529161366 GIQKOCZYKSWWEB-SJORKVTESA-N 376.844 1.595 0 50 GDAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1N1CCNC1=O 1704299830 UJAPGCKETXEXAX-MSOLQXFVSA-N 380.448 1.907 0 50 GDAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(OC)c(F)c2)C[C@@H]1O 1704331930 VIHQHOUBDRRXCY-HOCLYGCPSA-N 375.418 1.461 0 50 GDAA Cc1nn(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)c(=O)c2ccccc12 1772701635 LVDMGKHSKUABAK-UHFFFAOYSA-N 394.431 1.673 0 50 GDAA Cc1cccc(CN2C[C@H]3CN(C(=O)CCc4ccc(O)cc4)C[C@]3(CO)C2)n1 1772806134 UNHKXZFPRLQZHE-CVDCTZTESA-N 395.503 1.981 0 50 GDAA Cc1noc(CN2CCC3(CCc4c(N5CC[C@@H](CO)C5)nc(C)nc43)CC2)n1 1857687505 UXJIKFKNJDBVIP-MRXNPFEDSA-N 398.511 1.775 0 50 GDAA COCCN1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)C1 1857695658 SJJIHWQXZVQDPP-GOSISDBHSA-N 382.508 1.983 0 50 GDAA O=C(c1cccc(O)n1)N1CC[C@]2(C1)Cn1c(nnc1C1CCOCC1)CO2 1857703773 RJOGFVWJZSZCFL-IBGZPJMESA-N 385.424 1.088 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCc3nc4ccccc4o3)CC2=O)s1 1857712960 PCHHUTXPVHBXFG-NSHDSACASA-N 385.449 1.954 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)NCCCn3ccnc3C(C)C)CC2=O)s1 1857717642 QWMHCQLNZZAXHR-CYBMUJFWSA-N 390.513 1.980 0 50 GDAA COCC(=O)N1C[C@@H]2[C@H](CNC(=O)Cc3ccc(C)c(C)c3)[C@H]3CC[C@]2(C1)O3 1857734985 BFBZQHPOVSPZDD-JZJXAQOMSA-N 386.492 1.615 0 50 GDAA Cc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)[C@H]4CC[C@]3(C2)O4)n1 1857736618 UDHICDUTAPXYQP-XKGFGPFHSA-N 379.464 1.902 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCn2cccn2)cn1 1857739012 IRONOMLZXOWKOJ-ICSRJNTNSA-N 386.500 1.461 0 50 GDAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)C1=O 1875254030 LFWAKNWETNTZQM-KRWDZBQOSA-N 388.815 1.002 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnc(N(C)C)nc3)C2)c1C 1875301807 VUCVCWNZWVSNIB-MRXNPFEDSA-N 398.515 1.020 0 50 GDAA CCn1ccc(C(=O)N2CC3(CN(C)C[C@@H]3c3ccnc(N4CCCC4)n3)C2)n1 1875395691 JBFRSWAOAGJEOI-MRXNPFEDSA-N 395.511 1.465 0 50 GDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 1940197785 QJGVKKWEWUXVBN-UHFFFAOYSA-N 378.436 1.520 0 50 GDAA Cn1ncc2ncc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)cc21 1940198083 MHGNQQLDKYHUGF-UHFFFAOYSA-N 397.386 1.801 0 50 GDAA O=C(NCc1coc2ccc(F)cc12)c1nccnc1C(=O)N1CCOCC1 2325786640 LGRMCCUDHWTCGI-UHFFFAOYSA-N 384.367 1.764 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)[C@H]4Cc5ccccc54)cc3C2=O)C(=O)N1 2325887971 FBHVFLQLTIVHQZ-ROUUACIJSA-N 389.411 1.726 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 13331566 PMFNRMLQKNCKIL-UHFFFAOYSA-N 382.482 1.727 0 50 GDAA O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 14746159 RWCRYOUVOZJPOR-UONOGXRCSA-N 382.247 1.651 0 50 GDAA COc1ccc(OC)c(Nc2nc(N)nc(CSc3nnc(N)s3)n2)c1 16956018 JWEAJZVQJJZXJO-UHFFFAOYSA-N 392.470 1.941 0 50 GDAA CCN1CCN(C2(C(=O)N3CCN4CCC[C@@H]4C3)Cc3ccccc3C2)CC1 23372827 DFVOWJDDROIOBT-OAQYLSRUSA-N 382.552 1.468 0 50 GDAA CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 35388664 OFMGBDUPPLLCTQ-UHFFFAOYSA-N 395.525 1.922 0 50 GDAA O=C1c2ccccc2C(=O)N1CC1(CN2C(=O)c3ccccc3C2=O)COC1 40449946 HTFMCWNTTNUZID-UHFFFAOYSA-N 376.368 1.595 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 67983353 WOXCJXBSEJSDIN-UHFFFAOYSA-N 377.452 1.549 0 50 GDAA Cc1nonc1CN(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71681985 LUTGZGKCTAOKNM-INIZCTEOSA-N 389.500 1.449 0 50 GDAA CC1=NC(=O)C2(CCN([C@H]3CN(Cc4cc5ccccc5s4)C[C@@H]3O)CC2)N1 72409065 SXGBRMXLYFUEOC-ROUUACIJSA-N 398.532 1.829 0 50 GDAA C[C@H](CS(C)(=O)=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 72418221 ZKQOIWXUIGZTKB-MRXNPFEDSA-N 380.510 1.949 0 50 GDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77523232 ULRHQSOOCSFDCT-CLWJZODNSA-N 380.404 1.010 0 50 GDAA CCCN1CCN(C(=O)c2ccc3nc(C)oc3c2)[C@H]2CS(=O)(=O)C[C@H]21 95499999 FXYLMOLBBATMQC-CVEARBPZSA-N 377.466 1.470 0 50 GDAA Cn1ncnc1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95500626 MLGXEDCMUVZZLW-UHFFFAOYSA-N 397.479 1.567 0 50 GDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)c2[nH]cnc2C)CC1 96138701 LGNNBILFVMTJEO-UHFFFAOYSA-N 382.472 1.903 0 50 GDAA COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 210059552 FYVRNMILEZULOU-ORGXJRBJSA-N 378.428 1.939 0 50 GDAA O=C(CCS(=O)(=O)c1ccccc1)N1CCOc2ccc(CO)cc2C1 219096604 PTAGMUOOGYDAMF-UHFFFAOYSA-N 375.446 1.764 0 50 GDAA CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 221924449 QNNQYQMFHBBCDU-CABCVRRESA-N 388.555 1.879 0 50 GDAA CC(=O)N1c2ccc(S(=O)(=O)N3CCN(C[C@H](C)O)C[C@H]3C)cc2C[C@@H]1C 225342793 PMUAFUJGOOEPTA-ZNMIVQPWSA-N 395.525 1.060 0 50 GDAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 225395349 JJTRTWAHHDRQKI-HOJAQTOUSA-N 383.492 1.823 0 50 GDAA Cc1c(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)nnn1C1CCNCC1 237715748 NVIQVQKWKVOPCV-GUYCJALGSA-N 382.468 1.435 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NS(=O)(=O)c2cc(C)ccc2OC)C1 244874597 XDYNSJJHWDXPOQ-BETUJISGSA-N 380.470 1.332 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CCO1 263325998 BITQNDUOQSJOBP-NSHDSACASA-N 391.802 1.545 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)C1=O 278841500 QWKQOBWXKMIGKL-DJJJIMSYSA-N 375.425 1.727 0 50 GDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 299421487 CTSGZKAXMCESIF-NVXWUHKLSA-N 375.469 1.137 0 50 GDAA O=C(NC[C@@H]1CCCN(CCO)C1)Nc1ccnn1Cc1cccc(F)c1 299795697 OWEFBGFUPOZFPL-INIZCTEOSA-N 375.448 1.896 0 50 GDAA Cc1ccc(C)c(OCCN(CC(=O)O)C2CCN(S(C)(=O)=O)CC2)c1 328607295 VHLGUHCROVJLGG-UHFFFAOYSA-N 384.498 1.493 0 50 GDAA CC(C)(C)C(=O)N=c1cc[nH]cc1C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 331517965 JCFOFENIUBWBDL-CYBMUJFWSA-N 382.468 1.880 0 50 GDAA CC(C)[C@H](CNC(=O)[C@H]1CCn2cncc2C1)NC(=O)[C@H]1CCn2cncc2C1 332826446 WPQJNOUEVMQOEY-BXWFABGCSA-N 398.511 1.162 0 50 GDAA CCN(C(=O)NCCc1nc(O)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 426584533 AJGXXJIDSXOZSM-LBPRGKRZSA-N 378.454 1.097 0 50 GDAA CCNC(=O)c1ccc(N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)nn1 433769312 SSYBXBMZPWMEOJ-HNAYVOBHSA-N 385.516 1.869 0 50 GDAA COc1ccc([C@H](CC(=O)N[C@@H](C)C(N)=O)c2cc3c(cc2O)OCO3)cc1 824654661 QOFPCMGFFPZXTE-FZMZJTMJSA-N 386.404 1.642 0 50 GDAA biogenic Cn1nc(C[C@@H]2CCCC[C@@H]2NCc2nc(CC(F)(F)F)no2)n(C)c1=O 931783258 VLGFUEASJNTRIU-QWRGUYRKSA-N 388.394 1.498 0 50 GDAA CC(C)Cn1[nH]c(CC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1=O 935424617 FKJDTCZCTCPSDN-INIZCTEOSA-N 377.407 1.927 0 50 GDAA C[C@@]1(CCCO)CCCN1Cc1ccccc1S(=O)(=O)N1CCOCC1 952846310 ZFCGHXCJXGZDQJ-IBGZPJMESA-N 382.526 1.835 0 50 GDAA CC(C)(CN[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)N1CCOCC1 952972864 JFSVIKOOPOFOOH-YUVVGHDESA-N 384.568 1.254 0 50 GDAA O=C(CCc1cn[nH]c1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 952981342 SSTDYPGYLIEWPY-UHFFFAOYSA-N 378.436 1.854 0 50 GDAA CN1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CCCc2cn[nH]c2)CC1 952982299 YQAKSDJTBUCOPG-GOSISDBHSA-N 375.517 1.572 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)/C=C/c1cc(CO)cs1)CC2 1506407875 KOAXDMKASRICOE-BAABZTOOSA-N 378.450 1.178 0 50 GDAA Cc1ccc(F)c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1Cl 1704302721 RPTYRUBYENTTET-CMPLNLGQSA-N 378.853 1.424 0 50 GDAA COCC(=O)N1CCN(C(=O)N=c2cc[nH]c(C)c2)CCC12CCOCC2 1775961484 DKYBLBGANLJOHV-UHFFFAOYSA-N 376.457 1.074 0 50 GDAA Cc1ncnc(C)c1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857667953 HEFBYTVPZKDSIE-KBPBESRZSA-N 388.449 1.047 0 50 GDAA Cc1ccc2nc(N3C[C@@H](C(=O)NCC4(O)CCOCC4)CC3=O)sc2c1 1857738305 BKRJAJQWHAOOJO-ZDUSSCGKSA-N 389.477 1.615 0 50 GDAA O=C1CC[C@H](NC(=O)c2cc3cc(Br)ccc3oc2=O)C(=O)N1 1857797934 FJZDNXMIKKAGIS-JTQLQIEISA-N 379.166 1.091 0 50 GDAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)n2)c1 1875243221 XAFCXRGROQFEPP-SJORKVTESA-N 398.463 1.683 0 50 GDAA COCCn1nc2c(c1C(=O)N1CCN(C(C)(C)CO)CC1)C[C@H](C)O[C@@H]2C 1875316062 SMOFBAQCEZDHJD-LSDHHAIUSA-N 394.516 1.080 0 50 GDAA Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)N2C(=O)CCC2=O)s1 1875322221 MOJVUJNNACMKJM-IHRRRGAJSA-N 389.477 1.328 0 50 GDAA O=C(NC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1)[C@@H]1Cc2ccccc2O1 1875325274 KSDIOIKKKFNQHW-UTKZUKDTSA-N 391.471 1.844 0 50 GDAA CC1(C)O[C@]2(CCCN(C(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)C2)NC1=O 2325784354 WUGYUUMIOKRYSR-OZVIIMIRSA-N 394.390 1.214 0 50 GDAA CC(C)(C)n1nnc(CN2CC[C@]3(NC(=O)COCC(F)F)CCC[C@H]23)n1 2325794532 FZYWSANLCNHKTA-YVEFUNNKSA-N 386.447 1.323 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 2325888662 OKCLTIDWKMGKBS-QGZVFWFLSA-N 387.455 1.464 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1nc2c(Cl)cccc2s1 2356148662 KULYUSPMGAHFJV-UHFFFAOYSA-N 389.886 1.575 0 50 GDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-c2nncc(C)c2C)cc1 2356158813 AMDXUVNIBGAQKN-HZPDHXFCSA-N 375.450 1.302 0 50 GDAA CS(=O)(=O)c1cccc(C(=O)N=c2nc3nccc(-c4ccccn4)n3[nH]2)c1 2356163480 FMHMMLCYICGBTC-UHFFFAOYSA-N 394.416 1.264 0 50 GDAA O=C(O)CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1ccc(F)cc1 2356166402 WECZOKWVPNNNAT-RMEPHLEKSA-N 398.434 1.717 0 50 GDAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1Cl 855198 HEAQIRBRCDQADY-INIZCTEOSA-N 385.855 1.893 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 2800514 HKURJEJWWDJBHL-CQSZACIVSA-N 385.917 1.660 0 50 GDAA O=C(COC[C@H]1CCCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356167938 JLBRILWBZFUSEL-GOSISDBHSA-N 384.480 1.839 0 50 GDAA CCCCn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)CCCC(C)C 55225821 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CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 262433238 OQZLJAYBZCSOBO-LLVKDONJSA-N 377.260 1.753 0 50 GDAA O=C1CC[C@@H](C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CN1 77389482 SZPYRXIZDPPXNN-QGZVFWFLSA-N 385.464 1.569 0 50 GDAA CCNc1ccnc(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)n1 71775588 BWVMUTQTVCHUDE-IAGOWNOFSA-N 383.500 1.065 0 50 GDAA CCc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)n[nH]1 71755264 DHBKYVLFDWHJRT-OAHLLOKOSA-N 391.516 1.051 0 50 GDAA Cc1c(NC[C@@H]2CCCS(=O)(=O)C2)nn2c(C(F)(F)F)nnc2c1C 288614382 VCAWJFLVZIJLFV-JTQLQIEISA-N 377.392 1.997 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccc2nc[nH]c2c1 426383148 RSLYFQQHPJQSHX-LJQANCHMSA-N 377.448 1.570 0 50 GDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N1CCN2C(=O)OC[C@H]2C1 426513647 MEGOFXBXYFUXSY-MRXNPFEDSA-N 387.415 1.974 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)CCCN1Cc3ccccc3C1)C2 426428892 IKZPREJYSORIMJ-UHFFFAOYSA-N 381.480 1.657 0 50 GDAA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2cc3c(s2)CCCCC3)[C@H]2CCO[C@H]21 222564311 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CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 240333312 FCYKSPYPYUXKPF-QZTJIDSGSA-N 389.471 1.591 0 50 GDAA CCCn1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(C)n1 252537222 KTHLHWCRSLOEHA-SHTZXODSSA-N 382.472 1.651 0 50 GDAA C[C@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 266305832 SDZYARCOUWJNAH-NVXWUHKLSA-N 398.467 1.141 0 50 GDAA O=C1CCc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)c(F)cc2N1 274820875 QCXCPSKETXVNKW-UHFFFAOYSA-N 384.411 1.872 0 50 GDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1C(=O)O 275189246 XNUUHRQLAOCNGV-IUCAKERBSA-N 399.318 1.641 0 50 GDAA CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccccc3F)C2)c1 289716242 YUKXYOIOUIVQRJ-OAHLLOKOSA-N 391.468 1.877 0 50 GDAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 298681484 OQLAYAGHRQOLGQ-WMZOPIPTSA-N 394.541 1.626 0 50 GDAA CCOc1ccccc1[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)NC(C)=O 299751517 QUKTZAZVWOVHKP-GOEBONIOSA-N 378.425 1.355 0 50 GDAA COc1ccc(S(=O)(=O)N2CC(Nc3nccc(C(F)(F)F)n3)C2)cc1 301821043 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BTXRSHKJNDFHGA-UHFFFAOYSA-N 394.383 1.677 0 50 GDAA in-vitro COCCCn1c(CN(C)Cc2ccc3nonc3c2)cnc1S(C)(=O)=O 11663248 YQWZGRMYIKDTNL-UHFFFAOYSA-N 393.469 1.491 0 50 GDAA CN1CCCN(C(=O)c2cn(CCNC(=O)CCC3CCCCC3)nn2)CC1 11911475 ZKRNWWQXYCYRQE-UHFFFAOYSA-N 390.532 1.533 0 50 GDAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)COc3ccccc3)CC2)nn1 12217523 VOZMYPREPAIUEP-UHFFFAOYSA-N 385.468 1.906 0 50 GDAA CS(=O)(=O)c1ncc(CN(CCO)Cc2cccs2)n1C[C@@H]1CCCO1 12316550 NECUBPFAGMUGDJ-HNNXBMFYSA-N 399.538 1.522 0 50 GDAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(Cl)cc3Cl)CN2C1=O 14531324 JTDRKLSNTYCDLX-GAFUQQFSSA-N 385.251 1.993 0 50 GDAA COc1ccc(CN2CCC(C)CC2)cc1OC[C@@H](O)CN1CCN(C)CC1 20233901 OIVVZLATIZNPNE-FQEVSTJZSA-N 391.556 1.914 0 50 GDAA CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1c(C(=O)O)cnn1C 20616460 IBJDQYPUELJUJM-UHFFFAOYSA-N 383.364 1.733 0 50 GDAA O=C(CCCn1nnnc1CN1CCOCC1)NCc1cc2ccccc2[nH]1 20905709 ZSMXMXWQVDACJJ-UHFFFAOYSA-N 383.456 1.083 0 50 GDAA Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)cc(S(N)(=O)=O)c1C 47341104 ZWKARZLXKCUXOW-AWEZNQCLSA-N 376.434 1.521 0 50 GDAA O=C1NCCCC[C@@H]1NC(=O)C1(Oc2ccc3ncccc3c2)CCNCC1 65496021 FHKLEHNPUNFNHW-SFHVURJKSA-N 382.464 1.521 0 50 GDAA Cc1n[nH]c(CCC(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n1 67885785 ZHZTVUYSJQBMLQ-UHFFFAOYSA-N 379.424 1.537 0 50 GDAA O=C(NCc1ncc[nH]1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71758916 GKPRXYWJEMQULC-GOSISDBHSA-N 382.512 1.798 0 50 GDAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2=O)c1 72157228 DVPGPNAFIIKTKH-HXUWFJFHSA-N 382.468 1.413 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77341913 IXBNOOPZZDQKJJ-JYLXEMOASA-N 398.507 1.915 0 50 GDAA O=C1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1Cc1cccc(F)c1 77377875 RWEMIOWJDDTGRR-UHFFFAOYSA-N 379.395 1.891 0 50 GDAA CCC[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1NS(C)(=O)=O 82098063 JZEUDMSVVBWZRD-NVXWUHKLSA-N 375.498 1.688 0 50 GDAA CC(C)Nc1ncc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 95358745 YJQLIUASJIVHOP-WIYYLYMNSA-N 387.528 1.882 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(CCCOc1ccc(F)cc1)C2 95520677 UMLSPXZXHUCYCI-DOTOQJQBSA-N 377.460 1.606 0 50 GDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 95522496 KNHFLVGDCGLELT-CYBMUJFWSA-N 376.844 1.807 0 50 GDAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)[C@H]3C=CCN3)CC2)c1 95530596 KSJKDIQTJLFJKO-LJQANCHMSA-N 399.491 1.829 0 50 GDAA COc1ccc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)cc1Cl 96149090 MGIZTMAUHOCSOX-UGSOOPFHSA-N 381.860 1.849 0 50 GDAA Cc1csc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)n1 96161998 PNFYDRHITFQHSR-UHFFFAOYSA-N 376.530 1.792 0 50 GDAA CC(C)(C(=O)N1CCC[C@@H](N)C1)S(=O)(=O)c1ccc(Br)cc1 158485348 NLAMESZBCFBCNL-GFCCVEGCSA-N 389.315 1.951 0 50 GDAA O=C(COc1ccccc1)N1CCC(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 171663029 ZSMYTDPAYZOSAY-GOSISDBHSA-N 397.479 1.759 0 50 GDAA CCCn1cc(NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cn1 174147926 VYZZHLSGFVYKLT-GOSISDBHSA-N 378.521 1.552 0 50 GDAA CCn1cc([C@@H]2CN(C(=O)NC3CCN(CCOC(C)C)CC3)CCO2)cn1 189440189 COLRTOBEKMCAIQ-IBGZPJMESA-N 393.532 1.875 0 50 GDAA OCc1csc(N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)n1 216693598 SODAIVYIMXSBJR-ROUUACIJSA-N 392.500 1.536 0 50 GDAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1 220419844 RBIINAWLDTVJLG-INIZCTEOSA-N 383.370 1.903 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CSc1ccccn1 247875330 SUXBMLYMPXCZHU-CABCVRRESA-N 383.477 1.727 0 50 GDAA CN(C1CCOCC1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](N)C2)c1 248012039 CDPFRSPNLZXTFP-GJZGRUSLSA-N 381.498 1.096 0 50 GDAA CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 252510613 AREDJGAOBZFJHG-NXOAAHMSSA-N 397.468 1.800 0 50 GDAA C[C@]1(C(=O)O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 262215258 XXZZQTGAIOHIQR-IBGZPJMESA-N 394.493 1.727 0 50 GDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1 275487010 AJCQIRJNBHXMFO-GOSISDBHSA-N 376.453 1.865 0 50 GDAA Cn1cnc2c(C(=O)NCc3ccccc3CN3CCC[C@H]3CO)ccnc21 288456308 IPMYDSXHDKQTOH-KRWDZBQOSA-N 379.464 1.855 0 50 GDAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)C1 298727605 MFSYFFXBUMLEOJ-HXUWFJFHSA-N 390.503 1.461 0 50 GDAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 328611215 KRFVSTMBXHRVOM-QGZVFWFLSA-N 395.485 1.088 0 50 GDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cnc3onc(C)c3c2)cn1 328617925 DFDZENJFPKGDPH-LSDHHAIUSA-N 377.426 1.556 0 50 GDAA CCO[C@@H]1C[C@@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C12CCOCC2 366113807 CHOOAPMJPNCNOF-IAGOWNOFSA-N 383.533 1.713 0 50 GDAA C[C@@H](NC(=O)N1CC=C(c2ccnn2C)CC1)c1cccc(S(N)(=O)=O)c1 376265879 NSOCATFVOBEMAX-CYBMUJFWSA-N 389.481 1.627 0 50 GDAA CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](O)C3)cc2)n1 408521231 MRXXVXQTSSXYBQ-OAHLLOKOSA-N 392.481 1.862 0 50 GDAA CCN1C(=O)CC[C@@H](C(=O)Nc2n[nH]c3cc(F)ccc23)[C@H]1c1cnn(C)c1 432150615 CMKKHHSBCYODCW-RHSMWYFYSA-N 384.415 2.374 0 50 GDAA CO[C@@]12CC[C@@H](NC(=O)C3CCC3)C[C@@H]1N(C(=O)CCn1cnnc1)CC2 534634885 YYUXTNBLECKULH-JTDSTZFVSA-N 375.473 1.123 0 50 GDAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)CC)CC1 822560154 XPUANBXFGGKXNW-AWEZNQCLSA-N 381.498 1.779 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)CSc2ncccn2)cc1 827846324 AWHDLKGMINKHQE-UHFFFAOYSA-N 380.495 1.362 0 50 GDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CCC(=O)Nc2nncs2)C1 828084676 BMYZDERHFVFSQG-NSHDSACASA-N 376.442 1.112 0 50 GDAA CC(C)(C)n1nc(Br)c2c(=O)n(CCn3ccccc3=O)cnc21 863371864 UNWGBDBOIWBVAA-UHFFFAOYSA-N 392.257 1.972 0 50 GDAA C[C@@H](O)C[C@@H](C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F 888096737 KBCQUHKLASQHPQ-RNFRBKRXSA-N 383.239 1.125 0 50 GDAA Nc1nccc(C2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)CC2)n1 952964391 NTTUHQPTJRZUHT-INIZCTEOSA-N 380.452 1.209 0 50 GDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)cn1 1336024037 GHBSUOHRZBUYED-OAHLLOKOSA-N 394.884 1.893 0 50 GDAA C[C@@]1(NC(=O)c2cn[nH]c2)CCOC2(CCN(C(=O)C3CC=CC3)CC2)[C@H]1O 1704309198 KLCJBQFANYDJEK-RBUKOAKNSA-N 388.468 1.007 0 50 GDAA O=C(NCC(=O)N1CCCC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704316064 JHFTVLIJRWLEBP-UHFFFAOYSA-N 384.436 1.530 0 50 GDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@@H]2CNC[C@@]2(CN(C)C)C1 1772703261 CXEOYZIKEMGDOB-QFBILLFUSA-N 390.509 1.422 0 50 GDAA Cc1noc(C)c1CN1C[C@H]2CN(C3CSCCSC3)C[C@@]2(CO)C1 1772711573 ZZLRBNCYWZZQHN-MAUKXSAKSA-N 383.583 1.866 0 50 GDAA Cc1nonc1CC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@]2(CO)C1 1772809803 FZYDBMYOZADTND-HNAYVOBHSA-N 390.871 1.527 0 50 GDAA O=C1CO[C@@]2(CCN(C(=O)Cc3ccccc3OCc3ccccc3)C2)CN1 1772812799 PKXQQXYNCBFNMR-QFIPXVFZSA-N 380.444 1.926 0 50 GDAA Cc1ccccc1C(=O)NCC[C@@H]1COCCN1C(=O)c1ccc(=O)n(C)c1 1857668665 PTFIIPXWZGLLFG-QGZVFWFLSA-N 383.448 1.355 0 50 GDAA CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2 1857675332 TZVIFXBTDAWYEV-YSVLISHTSA-N 385.917 1.655 0 50 GDAA CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@H]3CCN(C)C3=O)cc12 1857686533 AJJSKPLGSBVPQF-AWEZNQCLSA-N 391.493 1.119 0 50 GDAA N=c1nc(O)cc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)[nH]1 1857713041 ATFFXYIQVHJMHO-FQEVSTJZSA-N 391.435 1.637 0 50 GDAA CCC[C@H]1COC[C@H]2CN(C(=O)CCc3c(C)nc4ncnn4c3C)CCN12 1857724312 URJBTENDDUWORR-DLBZAZTESA-N 386.500 1.385 0 50 GDAA CC(C)N(C)S(=O)(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875248747 KZYILRULIFKQCX-IEBWSBKVSA-N 398.525 1.732 0 50 GDAA Cc1ccn2cc(C(=O)NCc3cnc4c(c3)CN(S(C)(=O)=O)CC4)nc2c1 1875251063 UPVMKMHJCXVCEF-UHFFFAOYSA-N 399.476 1.285 0 50 GDAA C[C@H](C(=O)NS(=O)(=O)N1CCc2ccccc21)n1ccc(C(F)(F)F)n1 1875312883 JAXWRRHVSDNHTR-SNVBAGLBSA-N 388.371 1.887 0 50 GDAA Cn1cc(C(=O)N2CCC[C@H](n3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1 1875326181 DEFFDBAOQBDTSA-HNNXBMFYSA-N 395.423 1.639 0 50 GDAA COC(=O)CNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)CCCCc2ccccc2)C1 2100554945 IZXGLMJRYCUCNA-RCCFBDPRSA-N 390.480 1.334 0 50 GDAA COc1cccc2c1CN(C(=O)C[C@H]1CN(Cc3cnn[nH]3)C3(CCC3)CO1)C2 2325785342 QQLSPVBJZBFBEY-KRWDZBQOSA-N 397.479 1.869 0 50 GDAA CCC[C@@](C)(CC)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 2325793201 KNRHFWNJBOPAPW-CRAIPNDOSA-N 399.557 1.346 0 50 GDAA O=C1N[C@@H](Cc2cc(I)ccc2F)C(=O)N[C@H]1CCF 2325796494 UUGDWSQIXHDPAU-QWRGUYRKSA-N 394.159 1.316 0 50 GDAA NC(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356146487 IFQIIXBNFXSCGS-OWSLCNJRSA-N 384.480 1.125 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3ncc4c(n3)CCN(C)C4)cn12 2356159574 HTLNCYMYIJLLKV-SFHVURJKSA-N 395.467 1.127 0 50 GDAA O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NCc1cccs1 1075614 MKXQOEZLDLHNJQ-UHFFFAOYSA-N 375.435 1.861 0 50 GDAA CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)C[C@@H](O)CNC4=O)n2)cc1 2356153067 PIWXVBAIEBUGOF-QGZVFWFLSA-N 381.480 1.677 0 50 GDAA CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 4869355 NOBZXNNFJZTFCA-UHFFFAOYSA-N 380.397 1.856 0 50 GDAA O=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1 7499967 QUYCXDXQZMMNLN-UHFFFAOYSA-N 380.857 1.991 0 50 GDAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)s1 23232184 ZHLQEXKMBPSSNE-ZDUSSCGKSA-N 382.449 1.864 0 50 GDAA O=C(c1n[nH]c2c1CCC2)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67867347 LDACHHUJPFINBD-UHFFFAOYSA-N 378.436 1.792 0 50 GDAA Cc1cc(NC(=O)CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)no1 106969797 KGZUTBTUCUTVRS-INIZCTEOSA-N 376.432 1.629 0 50 GDAA Cc1cnccc1CNC(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 12449250 BCPUNDZYPPRYGU-FQEVSTJZSA-N 378.476 1.364 0 50 GDAA Cc1cc2n(n1)CCCN(C[C@]1(O)CCCN(CCc3ccccc3)C1=O)C2 67724490 ARYMVJSQGCSAHP-JOCHJYFZSA-N 382.508 1.993 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n1 67755717 JHOKAGKMAWTFKQ-OAHLLOKOSA-N 385.468 1.666 0 50 GDAA Cc1nn(CCCNC(=O)c2nc3ncccn3n2)c(C)c1Br 2808630 VCOPHOIWHOMSRK-UHFFFAOYSA-N 378.234 1.520 0 50 GDAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CC3(CCNCC3)CN2)c1C 72169614 WBIGKMZBTHFTIH-GOSISDBHSA-N 377.533 1.227 0 50 GDAA O=C(O)[C@H]1C[C@H](C(=O)NCc2ccccn2)CN(C2Cc3ccccc3C2)C1 71749468 MJDBYLARDULYGA-ROUUACIJSA-N 379.460 1.888 0 50 GDAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@H](C)O)CC2 77537348 CINRXSQHWUVEMT-AWEZNQCLSA-N 380.510 1.763 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCN([C@@H]2CCOC2)CC1 378114250 KEHPKEVRCOGLTK-CVEARBPZSA-N 377.510 1.676 0 50 GDAA Cc1ccc2c(c1)c(CNC(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1)nn2C 219320387 WJEZPVBKGXXPQF-CQSZACIVSA-N 378.498 1.007 0 50 GDAA C[C@H]1CN(S(=O)(=O)CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@@H](C)O1 241317038 LXGNPKGWJWKTEU-UWWPHRKUSA-N 384.473 1.484 0 50 GDAA COc1ccc(NS(=O)(=O)NCc2ccccc2)cc1NS(C)(=O)=O 72159438 DPPNJYFFMQCXEV-UHFFFAOYSA-N 385.467 1.513 0 50 GDAA COC(=O)c1sccc1S(=O)(=O)N1CCc2c(ncnc2N(C)C)C1 71762087 MGIVEBQMZLSKRU-UHFFFAOYSA-N 382.467 1.138 0 50 GDAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cnc2c(O)cccn2c1=O 426534496 RSOVLXGATGSYQT-INIZCTEOSA-N 378.432 1.529 0 50 GDAA Cn1cnnc1CC1CCN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)CC1 82115447 RHPJYUNFIPQQKD-SFHVURJKSA-N 381.480 1.612 0 50 GDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 426443094 FAUAIVZWNXVDKA-HHXXYDBFSA-N 381.494 1.818 0 50 GDAA CC1=c2cc(Br)ccc2=N/C1=C(/O)N(C)[C@@H]1CCS(=O)(=O)C1 334158602 XDDGOVBHVKPHIK-BFWGRDPESA-N 385.283 1.099 0 50 GDAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N1C[C@H](O)[C@@H](N2CCCC2)C1 95531630 IZDHECIBEAEJBI-OALUTQOASA-N 386.496 1.986 0 50 GDAA Cc1ncc(S(C)(=O)=O)c(NC[C@H](c2ccccn2)N2CCOCC2)n1 95370062 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COCCS(=O)(=O)c1ncc(CN2CCC[C@@H](O)C2)n1Cc1ccccc1 12440810 SUVMCJJIFUXVEA-GOSISDBHSA-N 393.509 1.308 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12587785 DCLKNVGLBDTUOB-CYBMUJFWSA-N 382.873 1.759 0 50 GDAA COc1ccccc1CN1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 14741338 WKJIWMCFOPJXCT-RBUKOAKNSA-N 395.459 1.155 0 50 GDAA CN1CCN(c2ccc(NC(=O)c3nn(C)cc3C(=O)O)cc2Cl)CC1 20616425 NGNHBUULBCYGRN-UHFFFAOYSA-N 377.832 1.776 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 35889295 BTUKTTGDEKNFTR-UHFFFAOYSA-N 389.477 1.640 0 50 GDAA CCSc1nnc(NC(=O)CN2CCC(O)(c3cccnc3)CC2)s1 65394981 SFPQYJFWOABNKK-UHFFFAOYSA-N 379.511 1.967 0 50 GDAA CCOC(=O)CNc1ncc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccco4)c32)cn1 65529951 GYXSSRMKFMRIMR-NSHDSACASA-N 382.380 1.909 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)CCO)CC2)C1 71721657 GQRSKFXYCIMOLR-LJQANCHMSA-N 387.524 1.431 0 50 GDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71755373 ADCVVDCVGMSHDF-GOSISDBHSA-N 387.528 1.524 0 50 GDAA CC(=O)N1CCn2nc(C(=O)N(C)CCc3nc4c(C)cccc4[nH]3)cc2C1 71777099 ZJPIGISVPLKOAT-UHFFFAOYSA-N 380.452 1.745 0 50 GDAA Cc1nn(CC(=O)NCCc2nc3c(s2)CCC3)c(=O)n1-c1ccccc1 77391525 PWINCTGPZGPUGW-UHFFFAOYSA-N 383.477 1.647 0 50 GDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1c1nccs1 95527017 SZVKXGLIJKOJQH-AWEZNQCLSA-N 391.501 1.106 0 50 GDAA Cn1cc(CCCNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1 102661815 YUONALDBHICRGT-UHFFFAOYSA-N 376.482 1.567 0 50 GDAA CC(=O)N1CCc2c(nc(C)nc2N2CCN(CC(C)C)[C@@H](CCO)C2)C1 107022631 QQSCTLULPGFOGO-KRWDZBQOSA-N 375.517 1.219 0 50 GDAA C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 133479728 CEFDUEFJTKARFU-IEBWSBKVSA-N 387.528 1.113 0 50 GDAA CN(C)CCN1C[C@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O 173936647 OLTWPULNMPRBSF-LJQANCHMSA-N 386.540 1.220 0 50 GDAA C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCN1CCO 188791227 DXIWANUEENWENR-DOTOQJQBSA-N 393.915 1.717 0 50 GDAA Cn1cc(N2CCC[C@H](NS(=O)(=O)CCc3ccc4c(c3)CCO4)C2)cn1 189436528 MPKBRBZCIRWXNG-KRWDZBQOSA-N 390.509 1.486 0 50 GDAA COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OCc1cccc(C)c1 206547965 ARMCHVNLQVUZQF-ROUUACIJSA-N 391.489 1.830 0 50 GDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 225514704 WGYKCDAWBJDZFN-OFQRWUPVSA-N 386.477 1.608 0 50 GDAA CCC(=O)N1CCC[C@H](C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)C1 225564339 WCGQXTLYIUMKSF-AWEZNQCLSA-N 385.472 1.446 0 50 GDAA COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 226839004 NHWVTBNIGQQOCR-JSGCOSHPSA-N 377.784 1.022 0 50 GDAA COc1ccc([C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]2C[C@@H](O)C2)cn1 252536447 IPCRONUHNHPIOY-HHXXYDBFSA-N 379.420 1.913 0 50 GDAA COCCCNc1nc2nonc2nc1N1CCN(C)[C@H](c2ccccc2)C1 257371881 KPLYNUYTHJVIMT-HNNXBMFYSA-N 383.456 1.954 0 50 GDAA CCc1ncnc(NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)c1F 275248757 GIWKKYOBGKAGNX-SCLBCKFNSA-N 390.463 1.868 0 50 GDAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)C1 299739053 JWRJAXMGUAXTNE-ZIAGYGMSSA-N 379.486 1.142 0 50 GDAA CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1 328595392 TWXOQMMMUUTJBN-NSHDSACASA-N 389.857 1.839 0 50 GDAA Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(C)n1C1CC1 328629166 ONJPGFJYXCVPFY-QGZVFWFLSA-N 376.482 1.785 0 50 GDAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(N)=O)c3)CC2=O)o1 364157691 ZRTBVEJVNXFBKU-UHFFFAOYSA-N 377.422 1.033 0 50 GDAA CN1CCN(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)C[C@H]1c1nccn1C 368751337 SFRDKSMSCPDVJU-INIZCTEOSA-N 386.431 1.965 0 50 GDAA O=C(O)CCN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCOCC1 377142740 QLGBCYPPNVVBJC-OAHLLOKOSA-N 378.450 1.972 0 50 GDAA Cc1nccc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](O)C3)cc2)n1 408521345 PYGPKJYQUQKJQQ-CQSZACIVSA-N 376.438 1.183 0 50 GDAA Cc1nc(C2CCN(C(=O)NCCc3nc(-c4ccccn4)no3)CC2)n[nH]1 426711317 MLVFVEPOJDYJTH-UHFFFAOYSA-N 382.428 1.690 0 50 GDAA COc1cc(N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1NC(C)=O 495596507 ZGLMUJZRTUNEQW-CQSZACIVSA-N 398.467 1.593 0 50 GDAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1nnc(O)n1C 889574930 XUMWRFLFPAVCRR-ZDUSSCGKSA-N 381.440 1.489 0 50 GDAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 1073335201 SNRRWYMXEQYEIK-HOCLYGCPSA-N 382.464 1.719 0 50 GDAA CO[C@H]1CN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1Cc1cc(C)no1 1529109553 FAGLLOFPPAQEGM-XLIONFOSSA-N 385.464 1.894 0 50 GDAA Cc1ccc([C@H]2CN(C(=O)c3cnn4cc(CCO)cnc34)C[C@@H]2N(C)C)cc1 1565515090 DYRHRKPBRXEQGN-UXHICEINSA-N 393.491 1.742 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cs1 1704343415 HFISVXDGAUBIBA-OCCSQVGLSA-N 381.479 1.039 0 50 GDAA Cn1ncc2c(N3CCOC[C@H]3CNC(=O)c3cc4ccccc4o3)ncnc21 1775991909 OOQNGGNCNOYCTI-CQSZACIVSA-N 392.419 1.745 0 50 GDAA Cc1[nH]ccc1C(=O)N1CCC[C@@]2(C(=O)NCc3cccnc3)CCN(C)C[C@H]12 1800412237 WQNYWDMYMYXTQT-SIKLNZKXSA-N 395.507 1.961 0 50 GDAA CCc1ccc(CN(C)C(=O)[C@@H]2c3cnn(C)c3CCN2S(C)(=O)=O)cc1 1857528879 ODSTWYLEDMQIFO-SFHVURJKSA-N 390.509 1.500 0 50 GDAA CC[C@]12COC(=O)N1CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2 1857679364 IXSCALFPDCYUQP-FQEVSTJZSA-N 386.452 1.377 0 50 GDAA O=C1CC2(CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)OCCN1 1857688673 WAVFRJHSWQMOTR-UHFFFAOYSA-N 376.844 1.219 0 50 GDAA CCOCCNC(=O)[C@]12COC[C@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2 1857689054 CRLMBFGXSAXHSN-DYESRHJHSA-N 388.464 1.253 0 50 GDAA CCCCN1CC2(CCN(C(=O)CCn3ccccc3=O)CC2)OCCC1=O 1857720273 MQQAZWOOIHEOLK-UHFFFAOYSA-N 389.496 1.649 0 50 GDAA CCn1nccc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857720327 OZLUNRPFFZJTKC-OALUTQOASA-N 385.468 1.213 0 50 GDAA COCCC[C@@]1(CO)CN(CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1O 1857724766 BXKCUEGZDZTBBH-QUCCMNQESA-N 398.931 1.471 0 50 GDAA CC1(NC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCNCC1 1857736929 RIZWCOMEXIYBTC-OAHLLOKOSA-N 399.520 1.740 0 50 GDAA C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1COCCO1 1875294064 LWKYCERXUSCAGC-BEFAXECRSA-N 377.485 1.246 0 50 GDAA CC(C)N1CCC[C@H](N2CCN(C(=O)c3ccc4c(c3)OCCN4)CC2)C1=O 1875321799 VYJBOVWFWQJJPW-SFHVURJKSA-N 386.496 1.648 0 50 GDAA COC1(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)CCOCC1 1875396779 AWNMVYXUWDVACR-MRXNPFEDSA-N 391.516 1.159 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](c2ccccc2)c2cnc[nH]2)ncn1 1875399383 AVTIWBDJTNMSGN-LZJOCLMNSA-N 393.495 1.585 0 50 GDAA CN(CC(=O)N[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC12CCSCC2)C(=O)C1CC1 2325823770 DKYFDVLJZMSESX-HRCADAONSA-N 393.553 1.542 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4nccs4)cc3C2=O)C(=O)N1 2325887264 ZTRKOJWNEQMZOI-ZDUSSCGKSA-N 399.432 1.226 0 50 GDAA COc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1 824071 SQKMNSCINPRAHG-UHFFFAOYSA-N 390.461 1.749 0 50 GDAA CC(C)N1CCC[C@]2(CCCN2S(=O)(=O)c2cccc(C(=O)O)c2)C1=O 2356141852 SIAOWEILTPREQG-SFHVURJKSA-N 380.466 1.939 0 50 GDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)[C@H]1O 2356141957 XMLAMSVNGRSJPM-VQTJNVASSA-N 390.480 1.030 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 2944162 JBWLHHLCUHAJHB-SFHVURJKSA-N 379.526 1.223 0 50 GDAA Cc1n[nH]c(C)c1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 55042336 MBGMZVQARINDSF-UHFFFAOYSA-N 384.889 1.707 0 50 GDAA CC(C)c1noc([C@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 120146253 YNDQBLOANAGTGJ-ZDUSSCGKSA-N 379.486 1.724 0 50 GDAA CSc1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cn1 20905967 DOVVRBPRUXRHKF-IBGZPJMESA-N 393.601 1.940 0 50 GDAA CNC(=O)c1n[nH]c2c1[C@@H](c1ccc(OC)c(Cn3cccn3)c1)CC(=O)N2 65399075 DRVHAINLXWQRGM-CYBMUJFWSA-N 380.408 1.497 0 50 GDAA Cc1ccc(-c2nnn(CC(=O)NC3CCN(C[C@@H]4CCOC4)CC3)n2)cc1 136934813 NPJDFEDHVUJFQZ-INIZCTEOSA-N 384.484 1.266 0 50 GDAA CC(C)[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1nnc2n1CCNCC2 67821345 PUSPDZWJSTXZED-KRWDZBQOSA-N 392.467 1.403 0 50 GDAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1 122383211 CCPHFTKHGPBVCI-UHFFFAOYSA-N 382.395 1.453 0 50 GDAA O=C(NCCNc1cc(-n2cccn2)ncn1)c1ccc(Br)o1 67603711 SYLWBZBFSIHCFZ-UHFFFAOYSA-N 377.202 1.860 0 50 GDAA Cc1nc(CN2CCC(CNC(=O)CNC(=O)c3cccnc3)CC2)oc1C 125986613 MKSZDQQOKQAVOY-UHFFFAOYSA-N 385.468 1.445 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2=O)cc1C 72410653 NAFPXQGYESFXBM-UHFFFAOYSA-N 379.460 1.965 0 50 GDAA CCCN1CCN(C(=O)Cc2noc3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 72422687 PAXCXCHQDYSNOR-CVEARBPZSA-N 377.466 1.090 0 50 GDAA CC(C)CN1CCN(Cc2cc(CN(C)C)cs2)[C@H]2CS(=O)(=O)C[C@H]21 72438840 OZNUCDNZOGGZDW-MSOLQXFVSA-N 385.599 1.749 0 50 GDAA Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)sc2ncn(C)c(=O)c12 237752489 HPZGIPNJLXSCLQ-CYBMUJFWSA-N 383.429 1.955 0 50 GDAA Cc1cccn2c(CC(=O)N3CCCn4nc(CCC(=O)O)cc4C3)cnc12 72478055 DMEADYLGQMERDN-UHFFFAOYSA-N 381.436 1.831 0 50 GDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CC(C)C)CO2 71775002 BJDBJCLQNUZVEV-MRXNPFEDSA-N 377.485 1.765 0 50 GDAA C[C@H](C(=O)Nc1nccs1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 378376818 AFKPBJWJNAFISP-LLVKDONJSA-N 375.454 1.507 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCn4nc(C)nc43)cc21 177005609 GJVXFULQTOUWQY-MRXNPFEDSA-N 389.481 1.699 0 50 GDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 226725491 IQWARWRNUFECRK-WCXIOVBPSA-N 378.856 1.862 0 50 GDAA CN1CCN(c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ncn2)CC1 82230473 PEWSNPUNOHPDGQ-UHFFFAOYSA-N 384.459 1.330 0 50 GDAA NCCOc1ccc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 426399035 MWPRWAPXADHMOL-NRFANRHFSA-N 377.448 1.859 0 50 GDAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 20543112 BJLPRABFGNELCR-QGZVFWFLSA-N 384.480 1.935 0 50 GDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1 20608428 QQHUMIPOSNKILD-INIZCTEOSA-N 399.944 1.656 0 50 GDAA Cc1ccc2nc([C@H](C)NC(=O)N3CCN(c4ncc[nH]c4=O)CC3)[nH]c2c1 426389530 XBWIAWCKTQTJAF-ZDUSSCGKSA-N 381.440 1.547 0 50 GDAA COC[C@H]1CCCN1S(=O)(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95512133 LQONWECMSYJXPR-OAHLLOKOSA-N 376.482 1.790 0 50 GDAA CN(C)[C@H](C(=O)N1CCC(N2CCNC(=O)CC2)CC1)c1ccccc1F 95356952 XECFQCZGTDDVJH-IBGZPJMESA-N 376.476 1.241 0 50 GDAA COC1CCN(S(=O)(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)CC1 95362223 DIHYLKYDQPWSCB-INIZCTEOSA-N 382.482 1.920 0 50 GDAA CCN1CC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C[C@@H](c2ccccc2)C1=O 96160523 HGISPECKXBJHHJ-KRWDZBQOSA-N 396.491 1.897 0 50 GDAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)Cc1cc2c(cc1Cl)OCCO2 96161966 OAPZOCIPDZAHIA-MRXNPFEDSA-N 377.784 1.587 0 50 GDAA CN(C[C@H]1COCCO1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 95360452 TYWFVKWEXYEYLF-INIZCTEOSA-N 382.482 1.395 0 50 GDAA CN(C)C(=O)c1noc2c1CN(C(=O)Cn1ccc3ccccc3c1=O)CC2 95496767 CALIVUKEAXTQOD-UHFFFAOYSA-N 380.404 1.276 0 50 GDAA Cc1nnc(SCCNC2CCN(c3ncnc4[nH]cnc34)CC2)s1 95505275 WTZLZQZSQGSNFB-UHFFFAOYSA-N 376.515 1.864 0 50 GDAA CCc1nn(C)c(Cl)c1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 91819756 ZRSIBVHWZBNXPX-APWZRJJASA-N 397.995 1.846 0 50 GDAA CCN1CCN(CC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)C(=O)C1=O 95497736 HWCVNGQYXWNOMW-MRXNPFEDSA-N 375.444 1.298 0 50 GDAA CN(C)C[C@H](O)COc1ccc(CN2CCN(C3CCCCC3)C(=O)C2)cc1 95506116 VLJXEEUBRFSWLF-FQEVSTJZSA-N 389.540 1.965 0 50 GDAA Cc1cccn(CC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1=O 181475823 COAUKHZQZJCXCU-HXUWFJFHSA-N 383.492 1.719 0 50 GDAA O=S(=O)(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)N1CCOCC1 244601818 DSDWBCQFQOMGLG-UWWQBHOKSA-N 377.466 1.213 0 50 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CKPCNDSLLFYQQU-NEPJUHHUSA-N 395.456 1.785 0 50 GDAA CC1(C)CC[C@H](Nc2cnccc2C(=O)NC23CC(CO)(C2)OC32COC2)C1 1875405790 OLGMJJGMHLOSHY-JAGHRAMZSA-N 387.480 1.865 0 50 GDAA Cc1cc(C(F)(F)F)c(NC[C@@H]2C[C@@H](c3nnc4n3CCOC4)C[C@@H]2O)nn1 895933039 BCIPNBMICWDMMJ-MDZLAQPJSA-N 398.389 1.892 0 50 GDAA O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCN(c2ccncc2Cl)CC1 170600296 YTQZCNQXHPHICG-ZDUSSCGKSA-N 390.793 1.937 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)CCN1CCCC[C@H]1C 1506411626 RYWCNGBLNDQIGX-CQSZACIVSA-N 384.498 1.817 0 50 GDAA CC(C)CNc1ccccc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O 1704351949 NAIIWHXQVRBKLU-CVEARBPZSA-N 375.469 1.612 0 50 GDAA CCCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 11818074 GPVVQDODPBWNGW-INIZCTEOSA-N 377.485 1.653 0 50 GDAA Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCCN2CCC(C)C)s1 12194220 NESMGSDTIXKVKO-ZDUSSCGKSA-N 385.559 1.291 0 50 GDAA O=C(NC[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)c1cccc2ccccc12 12748829 ZDACHWLFMALLCI-INIZCTEOSA-N 392.463 1.885 0 50 GDAA COc1cc(CNCCOC(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 15062830 UQKSLEWYZMAEAR-LJQANCHMSA-N 396.528 1.406 0 50 GDAA CC(C)c1cc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)nc(=N)[nH]1 1857671088 ONOLAJUHZNFATI-NRFANRHFSA-N 395.463 1.902 0 50 GDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCC(=O)OC)CC3=O)sc2c1 1857701625 RRGQIYTUCDMMIO-JTQLQIEISA-N 377.422 1.337 0 50 GDAA O=C(NCCCc1ccccn1)[C@@H]1C[C@H](O)[C@@H](N=c2[nH]nc(C3CCC3)o2)C1 1857713826 TVWPETVPXDSZEJ-XIRDDKMYSA-N 385.468 1.454 0 50 GDAA OCCn1nc(COc2cccc(F)c2)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857724488 YHCUXRSUVXLOBL-IAOVAPTHSA-N 376.432 1.613 0 50 GDAA O=C(c1ccc2ncnn2c1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857728144 PECGLLLKYSCGNQ-FVJLSDCUSA-N 389.415 1.644 0 50 GDAA CCn1ccc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccc(OC)c(OC)c2)n1 1875246977 IJLSXNUOYWZRMQ-ROUUACIJSA-N 375.425 1.495 0 50 GDAA O=C(Cc1cccnc1)N[C@@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O 1875243528 KOTKPNDPYQLVPJ-DFQSSKMNSA-N 379.460 1.163 0 50 GDAA O=C(NCCCO)c1cn(C2CCN(Cc3ccccc3Cl)CC2)nn1 11908917 SQKKCORONAVEAT-UHFFFAOYSA-N 377.876 1.881 0 50 GDAA O=C1CC[C@H](N2Cc3c(NS(=O)(=O)c4ccccc4)cccc3C2=O)C(=O)N1 1251141338 JIKZQIWRRPFNQX-INIZCTEOSA-N 399.428 1.248 0 50 GDAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 4491528 GORKKKIUONGNEE-SFHVURJKSA-N 381.407 1.916 0 50 GDAA CCn1cc(Cl)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 2325794241 VOLCQVYVUOTJAO-KBPBESRZSA-N 375.860 1.943 0 50 GDAA CC1CCC(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)nn2C)CC1 2325796881 ZYEZUBWWILFPNS-UHFFFAOYSA-N 375.395 1.783 0 50 GDAA O=C(c1cccc2c1OCCO2)N1CCc2nc(C3CCOCC3)nn2CC1 2356151496 KVRASUKRRPHPHS-UHFFFAOYSA-N 384.436 1.642 0 50 GDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(-c2cscn2)c1 2356158044 VVPCNJVEPMTRSI-UHFFFAOYSA-N 381.479 1.435 0 50 GDAA O=C(NCC1CC1)[C@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3)[C@@H]2C1 2356166858 CEKGUHCDBLZACN-BMGDILEWSA-N 396.484 1.910 0 50 GDAA CCNC(=O)CN1C(=O)[C@]2(CCN(C(=O)Cc3cc(C)no3)C2)c2ccccc21 2356167273 LTPHITBKWZDROY-NRFANRHFSA-N 396.447 1.179 0 50 GDAA O=C(c1ccc[nH]1)N1CCC2(CCN(CCCn3cccn3)CC2)[C@@H](CO)C1 102538014 FCEIPKJWGBYZQY-GOSISDBHSA-N 385.512 1.838 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCC1(O)CCCCC1 11878253 GURCUDJACPXOEH-IBGZPJMESA-N 387.524 1.621 0 50 GDAA O=C(CCCn1ccnc1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67675537 HNDRFSCNMWJDRJ-INIZCTEOSA-N 380.452 1.944 0 50 GDAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4cnccn4)CC3)nn2)n1 72442383 OCPOHMXQFUEUIG-UHFFFAOYSA-N 376.424 1.676 0 50 GDAA Cc1ccccc1-c1nc(CN2CCN(c3ncccc3C(N)=O)CC2)no1 124777491 MGVLIGXXKGOWNV-UHFFFAOYSA-N 378.436 1.861 0 50 GDAA CN1C(=O)C[C@@H](C(=O)Oc2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccnn1C 368352127 OQWKECJRSUBBJV-DNVCBOLYSA-N 382.420 1.672 0 50 GDAA Cc1nc[nH]c1CN1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H]2CS(=O)(=O)C[C@H]21 72409908 BHWWYBCDSMYELC-CABCVRRESA-N 394.541 1.210 0 50 GDAA Cc1cc(C)nc(CN(C)c2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)c1 72428050 RJKHPRQQJHBBCB-HNNXBMFYSA-N 389.525 1.995 0 50 GDAA C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C 241132919 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CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 34012170 NUMJNKDUHFCFJO-VQTJNVASSA-N 391.537 1.846 0 50 GDAA in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4cnn(C)c4c3)CC2)cc1 1940198221 WEVPWTHNWQNHMQ-UHFFFAOYSA-N 399.476 1.423 0 50 GDAA Cc1nnc(CN2CCOC3(CCN(CCCn4cccn4)CC3)C2)s1 825296718 JMRIMXOEGKOYIM-UHFFFAOYSA-N 376.530 1.800 0 50 GDAA O=C(Cc1ccc(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)cc1)NC1CC1 827848722 VIGQUBRZBCTUCK-OAQYLSRUSA-N 394.475 1.915 0 50 GDAA O=C1C[C@@H](C(=O)N2CCC(Oc3ncccn3)CC2)CN1Cc1cccnc1 827696793 ZKIMGXOZLPXXQB-MRXNPFEDSA-N 381.436 1.290 0 50 GDAA N[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@H]2COC[C@H]12 1875292290 CPSPRDPREALUHW-JMSVASOKSA-N 377.242 1.637 0 50 GDAA NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3)cc1 1875321751 UDYYAKVDZKFSFH-UHFFFAOYSA-N 395.387 1.949 0 50 GDAA CCc1cscc1C(=O)N1CCN(C(=O)c2cncc(O)c2)[C@@H](CCO)C1 1875330821 DFEVZXDNXFRGFV-HNNXBMFYSA-N 389.477 1.760 0 50 GDAA COc1ccc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)cc1C(=O)N(C)C 952991190 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Cc1cccc2ncc(C(=O)N3CCCN(C(=O)c4ccco4)CC3)c(=O)n12 1506409395 GXRLKFMSGHCCHA-UHFFFAOYSA-N 380.404 1.584 0 50 GDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c(C)o1 1529099080 QAUVJJCPSBJJFR-HNNXBMFYSA-N 376.457 1.362 0 50 GDAA Nc1nc(C(=O)N2CCCN(C(=O)c3cccc4c3CCC4=O)CC2)cs1 1704333651 BTVJWSJVLIYEDJ-UHFFFAOYSA-N 384.461 1.843 0 50 GDAA CN1CCC[C@]2(C(=O)O)CCN(S(=O)(=O)N(C)Cc3ccccc3)C[C@@H]12 1704342059 DRJOAVWKGIXMQY-AEFFLSMTSA-N 381.498 1.234 0 50 GDAA CN(C)C[C@]12CN(Cc3nccs3)C[C@@H]1CN(C(=O)c1cnsc1)C2 1772815788 XCPAIHDYMAHHIJ-RHSMWYFYSA-N 377.539 1.735 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCCn1cccn1 15065456 RZNIHMFSOWLUTI-IBGZPJMESA-N 383.496 1.213 0 50 GDAA COc1ccc(OC)c(CC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)c1 15076301 AHCAQLJCFQFMQE-QGZVFWFLSA-N 375.513 1.921 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(=O)c1cn(-c2ccccc2)nn1 1857686541 ASMULIVPKMIZPG-KVSKMBFKSA-N 397.479 1.803 0 50 GDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)cc2n1 1857697600 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CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 72150187 ANJWQBMOMNJANF-KRWDZBQOSA-N 386.473 1.664 0 50 GDAA CNS(=O)(=O)c1cc(NC(=O)c2ccc(N3CCCC3)nn2)ccc1F 253417720 CTEBRGROSOVIJK-UHFFFAOYSA-N 379.417 1.376 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cs1 71762520 XKVRZTOAKBWPHA-KRWDZBQOSA-N 392.569 1.987 0 50 GDAA NC(=O)COc1cccc(CNC(=O)N2CCCC[C@H]2CN2CCCC2=O)c1 363582412 LWMBJFURUHVCSO-INIZCTEOSA-N 388.468 1.237 0 50 GDAA Cc1nnnn1-c1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(F)c1 448622343 PMAQJBPWDPOOMF-UHFFFAOYSA-N 397.414 1.271 0 50 GDAA Cc1cncn1C1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 369152498 BCINNRBIHCFWBB-PMACEKPBSA-N 382.464 1.954 0 50 GDAA Cc1ccc(C(=O)O)c(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72473890 JKBIPHYYOYDCBC-OAHLLOKOSA-N 387.436 1.770 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccnc3C)CC2)C1 71662541 ITGZQZVZGQZLNR-KRWDZBQOSA-N 388.512 1.469 0 50 GDAA Cn1ccc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(O)cc4)CC3)C2=O)n1 131013301 FVOKWDPFVKJCNH-QGZVFWFLSA-N 383.452 1.079 0 50 GDAA COc1nc2c(cc1CNC(=O)CCn1cnnc1)C(=O)N(C1CCCC1)C2 71757056 OIAMDYLHXYDQMA-UHFFFAOYSA-N 384.440 1.287 0 50 GDAA COc1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1C 72474813 CUPAJUDHKKDGKM-SJORKVTESA-N 378.494 1.337 0 50 GDAA CC(=O)c1cc(C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)n[nH]1 71712032 OUKRLJFFAXQRMS-UHFFFAOYSA-N 389.500 1.454 0 50 GDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1onc3c1CCCC3)C2 426429688 BBFLVSUDSKVVFF-UONOGXRCSA-N 381.436 1.720 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1sccc1C)CC2 95521315 PCWWQYZXQNGLDX-UHFFFAOYSA-N 388.493 1.942 0 50 GDAA Cn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 239377495 OANPDOHXNVARFN-UOVKNHIHSA-N 386.408 1.629 0 50 GDAA CCOc1ncccc1C(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1 96133607 FCADBEKFMPCZAV-UHFFFAOYSA-N 395.467 1.873 0 50 GDAA COc1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1OCC(F)(F)F 268206075 JRHLRJABVMSEFK-NSHDSACASA-N 388.346 1.878 0 50 GDAA Cc1ccc(C(=O)N2CCC(Cc3nncn3C)CC2)cc1N1CCNC1=O 92028336 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CNc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)Cc2ccc3c(c2)CCCO3)ncn1 1875400804 MVBZTQBKPWANJG-IAGOWNOFSA-N 397.479 1.142 0 50 GDAA COc1cccc(N2C[C@H](NC(=O)N3CCO[C@](C)(C(F)F)C3)CC2=O)c1 888101444 WEYHMPPAXVEROO-XIKOKIGWSA-N 383.395 1.866 0 50 GDAA CC(C)CNS(=O)(=O)c1ccc(CN2C(=O)[C@H]3CCCCN3C2=O)cc1 170592719 HZDYADHYBPAXBI-MRXNPFEDSA-N 379.482 1.938 0 50 GDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076031329 ULZILANHKWTVOQ-SJORKVTESA-N 377.408 1.798 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3CCN4C(=O)OC[C@@H]4C3)c(C)s2)n[nH]1 1506420929 DQLSSLZDOQVKIA-NSHDSACASA-N 382.467 1.580 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1616076739 KMQJGCVMNFDHGN-RTBURBONSA-N 378.436 1.412 0 50 GDAA Cc1nc2c(C)cccc2cc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704337243 TZGGGPYGOHYPKG-DOTOQJQBSA-N 391.493 1.488 0 50 GDAA COc1cc(C)ccc1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1616103666 OIGHJVQLQJPWMS-SJORKVTESA-N 378.494 1.223 0 50 GDAA O=C(Cc1cccnc1)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 1772813087 VGZZWWFIYXYVLU-UHFFFAOYSA-N 377.441 1.686 0 50 GDAA CC(C)(C)c1cc(CN2C[C@H]3CN(CC4COCCOC4)C[C@@]3(CO)C2)[nH]n1 1772811645 WJWCMDFPPRRRCE-UTKZUKDTSA-N 392.544 1.096 0 50 GDAA COc1cc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@]3(CO)C2)ccc1F 1772803940 BBCVPGFLZMFNSO-IFXJQAMLSA-N 391.468 1.857 0 50 GDAA C[C@@]1(NC(=O)C2CCC2)CCOC2(CCN(Cc3cscn3)CC2)[C@H]1O 1772708925 FEKHXEFKYUTMBP-ZWKOTPCHSA-N 379.526 1.934 0 50 GDAA CN(C[C@@H]1COCCO1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 12438817 DDRRSTIGODOALY-CQSZACIVSA-N 384.358 1.833 0 50 GDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 12718173 CFKRJWCOGZLSAH-INIZCTEOSA-N 383.452 1.390 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCC1 16622613 MOQBFDRKAMRIHR-UHFFFAOYSA-N 381.498 1.304 0 50 GDAA CCOC(=O)c1n[nH]cc1CN1CCN(CCc2ccccc2)[C@@H](CCO)C1 19800240 WAVMWDWKOQHUHD-IBGZPJMESA-N 386.496 1.698 0 50 GDAA C[C@@H](NC(=O)C(=O)NCCN1CCN(C(=O)c2ccco2)CC1)c1ccccc1 19832490 UZSVOUMNSMTMAA-MRXNPFEDSA-N 398.463 1.031 0 50 GDAA Cc1cccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)c1 169763897 OJIGTCVKDNKVMJ-UHFFFAOYSA-N 395.419 1.652 0 50 GDAA O=C1N[C@H](CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 206233728 MHLNCHHUKAWOHC-ZVGUJKQYSA-N 385.464 1.671 0 50 GDAA CCc1nccn1CCCNC(=O)[C@]12COC[C@H]1CN(Cc1cnsc1)C2 1857682248 HIQSNKWGHIUYDS-VQIMIIECSA-N 389.525 1.557 0 50 GDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NC[C@@H]1CCCO1 1857683771 XTTQUYDGEHFYOT-ZWKOTPCHSA-N 383.496 1.768 0 50 GDAA CCOCCN1C[C@@H]2COC[C@]2(C(=O)N2CCC(c3noc(C)n3)CC2)C1 1857686557 BSHBZVHSBMDHAC-VQIMIIECSA-N 378.473 1.069 0 50 GDAA CC(C)(C)OC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 19881963 GTZWYUFQILWIKP-OAHLLOKOSA-N 375.425 1.577 0 50 GDAA COc1c(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)ccc(Cl)c1Cl 1704339049 BEYNBXWSCKUKNQ-IONNQARKSA-N 384.237 1.458 0 50 GDAA COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CC1 2100556851 KMUBBENCONSBAD-OHQAAIJDSA-N 388.464 1.741 0 50 GDAA O=C(O)c1ccc(S(=O)(=O)Nc2cnn3cccnc23)cc1Br 2325818491 FMTVBSKCOYEIHH-UHFFFAOYSA-N 397.210 1.991 0 50 GDAA Cc1cc(C(=O)NC2CCC(NC(=O)[C@]3(C)CNC(=O)C3)CC2)nn1C(C)C 2325824034 MUCNPXKXOWCWDG-WSNMIEGMSA-N 389.500 1.456 0 50 GDAA O=C1CC[C@H](N2Cc3c(NC(=O)C(F)(F)C(F)F)cccc3C2=O)C(=O)N1 2325885774 OTVDOTRJQORPDS-JTQLQIEISA-N 387.289 1.287 0 50 GDAA COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1 1419228 RSSRAKZWIXJBKW-UHFFFAOYSA-N 392.467 1.923 0 50 GDAA COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 4821432 FNQOIKXFYZIHEG-LLVKDONJSA-N 380.397 1.918 0 50 GDAA COc1cc2c(cc1OC)CN(S(=O)(=O)c1csc(C(N)=O)c1)CC2 6681518 KDVCJSJKOMJLDO-UHFFFAOYSA-N 382.463 1.611 0 50 GDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCC3CCOCC3)c2)CC1 11843297 WSWZNMJAWOTHAW-UHFFFAOYSA-N 396.509 1.646 0 50 GDAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)Cn2cnnn2)CC1 11873538 AUMOVYOKIBFUIL-UHFFFAOYSA-N 375.404 1.227 0 50 GDAA O=C(NCc1ccccn1)c1ccc(OC2CCN(C[C@@H](O)CO)CC2)cc1 12431275 XQRPYIHVVLTBGD-GOSISDBHSA-N 385.464 1.208 0 50 GDAA CC(C)N1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 20234921 GZJHOAHHCQNJSS-FQEVSTJZSA-N 381.467 1.844 0 50 GDAA CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)O 40435120 BZUKJNKTPCZNPM-LSDHHAIUSA-N 376.457 1.771 0 50 GDAA in-vitro CN(Cc1ccno1)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55166907 CQGJMVZAJMNOHE-MRXNPFEDSA-N 394.834 1.816 0 50 GDAA CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CCNC(=O)CC3)CC2)cc1 67434749 UTXZWNNJHKYJJV-UHFFFAOYSA-N 378.494 1.542 0 50 GDAA Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67840807 ALYFELHFIZNJOG-OAHLLOKOSA-N 385.468 1.632 0 50 GDAA CCc1nnc(CNC[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)o1 67894868 NNVUSHAGFAKSND-LJQANCHMSA-N 392.431 1.423 0 50 GDAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(CCc2c[nH]c(=O)n(C)c2=O)C1 71419398 FFBFLGBEJRIAEU-AWEZNQCLSA-N 389.427 1.359 0 50 GDAA O=C(NCCn1ccnc1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71479691 UESTYKPGICSLSG-FQEVSTJZSA-N 396.539 1.771 0 50 GDAA Cc1nc2ccccn2c1CN(C)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 72130837 COSVFQZOYUMQQM-INIZCTEOSA-N 385.512 1.838 0 50 GDAA CCNC(=O)N1CCN(C/C(C)=C/c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72477924 RPBVHHOHRFTMEU-CJOJLPBESA-N 377.510 1.603 0 50 GDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 77374998 NQEZIDQCSQLLKG-OAHLLOKOSA-N 388.489 1.934 0 50 GDAA CCC[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1NS(C)(=O)=O 82097125 GPHIBKASBXZWEZ-GDBMZVCRSA-N 378.498 1.603 0 50 GDAA Cc1nc(C)c(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)s1 91895784 WEGVUZWXONGTAE-MSOLQXFVSA-N 394.585 1.539 0 50 GDAA Cc1nc2nc(CN3CCC4(CCC(=O)N(CC5CC5)C4)CC3)cc(O)n2n1 91951349 QIWIRFLENQBSMW-UHFFFAOYSA-N 384.484 1.753 0 50 GDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cc(=O)[nH]c3ccccc13)C2 92038724 DVKVOFRIZZKRGT-UHFFFAOYSA-N 379.420 1.391 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)NC[C@H]1CCCN(c2ccccn2)C1 95385239 OIQPNMHBTVEEMG-GOSISDBHSA-N 395.511 1.026 0 50 GDAA CCn1c(=O)[nH]c2cc(C(=O)NCCNC(=O)c3cccc(C)c3)ccc2c1=O 117697286 ZTZKRNMFXSRRCU-UHFFFAOYSA-N 394.431 1.178 0 50 GDAA CN(C(=O)[C@H]1CSCN1C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC1 120280847 NRFKAIUTCPNPFH-MRXNPFEDSA-N 375.494 1.780 0 50 GDAA O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1cnccn1 169749854 OTBUBHJAEWHNTB-UHFFFAOYSA-N 378.367 1.522 0 50 GDAA COC(=O)c1ccc(S(=O)(=O)Nc2nnc(CCc3ccco3)[nH]2)s1 170609084 XWZYOTMDCYMCMK-UHFFFAOYSA-N 382.423 1.832 0 50 GDAA O=C(N[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@@H]1CCCNC1 170676350 AODXHUXUPPIWLL-DOMZBBRYSA-N 395.301 1.565 0 50 GDAA CN1CCO[C@H](CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)C1 171289044 UUZWXDNMVGIFDE-LLVKDONJSA-N 384.358 1.657 0 50 GDAA CN(C[C@H](O)CN1CCOCC1)C(=O)c1c[nH]nc1-c1cc2ccccc2o1 188225348 LPHLGPBNBYSFLJ-HNNXBMFYSA-N 384.436 1.588 0 50 GDAA COc1ccsc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 190591457 VEWSATUKUKMGFJ-CYBMUJFWSA-N 384.454 1.975 0 50 GDAA CC(C)c1noc([C@]2(O)CCN(C(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)C2)n1 225532693 GDSBRBXAWYCFLR-FQEVSTJZSA-N 399.451 1.805 0 50 GDAA CNC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cn1 225623437 HGUJXXGICIEOCA-KRWDZBQOSA-N 392.253 1.841 0 50 GDAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 238075340 FEIQMCBJNZOKHR-QWHCGFSZSA-N 381.226 1.878 0 50 GDAA CSCc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)o1 244602020 DWEZFIKPAWSTMH-UKRRQHHQSA-N 375.450 1.543 0 50 GDAA O=S1(=O)CC[C@H](N(Cc2ccco2)C[C@H](O)COc2ccccc2F)C1 247754602 YSXZPTGJSDFNOP-GJZGRUSLSA-N 383.441 1.848 0 50 GDAA O=S(=O)(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2nsnc12 252571986 YQUMPAUXWNAKJS-JRPNMDOOSA-N 376.463 1.877 0 50 GDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)CSCc1cc(=O)n2ccsc2n1 263266061 VLIUIXNXDSUDPQ-MNOVXSKESA-N 381.479 1.701 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N[C@H]3CCO[C@H](c4cncn4C)C3)cc12 328623716 JIFXTUKOKXDECU-ZBEGNZNMSA-N 391.453 1.717 0 50 GDAA CNC(=O)c1ccc([C@H]2CCCCN2CC(=O)N2C[C@H](C)O[C@H](C)C2)n1C 328632510 LIYCXDPURBWZON-HLLBOEOZSA-N 376.501 1.548 0 50 GDAA CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCC(n3cnnc3O)CC2)c1 373831635 OARWMBPDSKTXEE-UHFFFAOYSA-N 394.457 1.103 0 50 GDAA CS(=O)(=O)NCC1CCN(C(=O)[C@H]2CCOc3ccc(Cl)cc32)CC1 376088912 NXQTYOVOWMBEAG-AWEZNQCLSA-N 386.901 1.994 0 50 GDAA COc1ccccc1N1CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)CC1=O 426489967 DJHFLLSNHKBBQV-UHFFFAOYSA-N 380.404 1.553 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)NCC(=O)Nc2nccs2)n1 426517657 UKJWPUDNFVQQDM-UHFFFAOYSA-N 388.375 1.741 0 50 GDAA Cn1c(=O)c(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc2ccccc21 426690775 XWPAMOSDTWJVKC-UHFFFAOYSA-N 388.431 1.544 0 50 GDAA COc1ccc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cc1OCCN 426711246 HMTRQQBMQWCHSC-SFHVURJKSA-N 384.480 1.822 0 50 GDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N[C@@H]2CNC(=O)C2)C1 798989102 FSTZVBOABOJNSB-NEPJUHHUSA-N 377.445 1.143 0 50 GDAA Cc1cc(CC(=O)NCC2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)on1 827861539 LLYQFOFCRQASCS-UHFFFAOYSA-N 382.424 1.465 0 50 GDAA CC(C)(C)N1CC[C@@](F)(C(=O)NS(=O)(=O)c2ccc3nc(O)oc3c2)C1 842404871 AWLHAQCXZAFPMQ-INIZCTEOSA-N 385.417 1.551 0 50 GDAA CN1Cc2ccccc2[C@H](NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)C1 1319731564 RGABDSADSJTXCG-GOSISDBHSA-N 385.489 1.739 0 50 GDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1506405976 ISXQQGBAUAEFCT-HNNXBMFYSA-N 377.466 1.419 0 50 GDAA CO[C@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@H]1Cc1cc(C)no1 1529173633 ZRZCMEJQHUITRL-PBHICJAKSA-N 378.498 1.966 0 50 GDAA CCCCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529189502 PGCUBQZBSPUUFA-MSOLQXFVSA-N 379.888 1.840 0 50 GDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]12 1704345511 YMPDABKKKNQRDV-HZPDHXFCSA-N 376.881 1.946 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c(C4CCC4)cnn3C)C2)n1 1857527542 JBNGKTNJUIHHQN-MRXNPFEDSA-N 397.527 1.823 0 50 GDAA CNC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)cc1Cl)C2 1857529955 SRHUMWCDYYUKTN-ZDUSSCGKSA-N 384.885 1.332 0 50 GDAA O=C(NCC(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1)c1ccccc1 1857675285 QZBRNGREAVCKKZ-JOCHJYFZSA-N 393.443 1.692 0 50 GDAA O=C(CCc1cccnc1)N1CCC[C@]2(C1)CN(c1ncccn1)CC[C@H]2O 1857684341 JXAJPCITMSCKOK-NQIIRXRSSA-N 381.480 1.684 0 50 GDAA CCOCCN1CC2(CCN(Cc3ccnc(OC)c3)CC2)OCCC1=O 1857731834 QSBIXTCKXRVIPV-UHFFFAOYSA-N 377.485 1.710 0 50 GDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1875243787 XFDHJKCDHSQKFS-VQIMIIECSA-N 375.432 1.918 0 50 GDAA O=C(c1cc2c(N3CCNCC3)cccc2s1)N1CCC[C@H](NCCO)C1 1875276701 QSGIBENGRXZIAT-HNNXBMFYSA-N 388.537 1.497 0 50 GDAA CCc1cc(CN2CCC(=O)N(CCc3ccc(N4CCC4)nc3)C2=O)n[nH]1 1875298806 OCBFMXBSNSMNEI-UHFFFAOYSA-N 382.468 1.974 0 50 GDAA CC[C@@](C)(O)c1cn([C@H]2CCN(C(=O)c3ccc(CCC(=O)O)cc3)C2)nn1 1875353660 BINUOAAMOAAGJP-OXJNMPFZSA-N 386.452 2.000 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)CC1 1875371186 RTCKYZMHJDZVRU-UHFFFAOYSA-N 387.455 1.464 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(n3[nH]c(C(C)C)nc3=O)CC2)C1 1875380393 NOFXYLOBUOWECJ-AWEZNQCLSA-N 375.473 1.283 0 50 GDAA COc1cccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n1 1875397039 IUVLUNGNDNIIPM-MRXNPFEDSA-N 384.484 1.567 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCCn4nccc43)C2)c1C 1875397600 GXJRUZPGIWFFOF-CVEARBPZSA-N 383.500 1.695 0 50 GDAA COc1ccc(CC(=O)N2CC[C@@]3(C2)C(=O)N(CCO)c2ccccc23)cc1F 2100537779 VHZIVGHQACLODO-QFIPXVFZSA-N 398.434 1.886 0 50 GDAA O=C(NCC1CCOCC1)[C@@H]1CCCN1C(=O)c1cccc(Cn2cncn2)c1 2325758496 KRSAMVRGDOWLTO-IBGZPJMESA-N 397.479 1.474 0 50 GDAA CN1C(=O)[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)Cc2ccccc21 2325779943 SGJNCRODSINJKJ-UXHICEINSA-N 393.487 1.705 0 50 GDAA O=C1CCC[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]2N1 2325782705 XTVWRVAQWXHPFV-TZMCWYRMSA-N 386.420 1.353 0 50 GDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3sccc3S(N)(=O)=O)C1)CC2 2356142506 VLWYKGANDWRJQK-KRWDZBQOSA-N 392.506 1.614 0 50 GDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C[C@@H]13)O2 2356158587 PYGSLWKNGYAXNY-LXZJYRNTSA-N 392.521 1.200 0 50 GDAA CCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1ccnn1CC)C[C@H]2O 2356169303 PEJBRSPAISJHOE-QWJIHBKKSA-N 396.491 1.646 0 50 GDAA Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21 598220 MOZPSIXKYJUTKI-UHFFFAOYSA-N 393.509 1.596 0 50 GDAA biogenic,in-vivo COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 8657262 MSWOXHMLUMOFAH-CYBMUJFWSA-N 399.451 1.076 0 50 GDAA NC(=O)c1cccnc1NCc1cccnc1N1CCN(c2ccccn2)CC1 11949458 KYGMABVLQMWLPN-UHFFFAOYSA-N 389.463 1.909 0 50 GDAA Cn1cc(CCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cn1 12056774 VEQPSLIVXULLRO-AWEZNQCLSA-N 396.538 1.631 0 50 GDAA O=C(NCCN1CCCOC1=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12075101 YMESKBPZGYLDOD-GOSISDBHSA-N 387.480 1.816 0 50 GDAA O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 12389814 RHJOYWAFKOZREY-HNNXBMFYSA-N 399.476 1.414 0 50 GDAA O=c1[nH]c(=S)[nH]c(O)c1C(c1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O 12591673 QCVDLBGEHWDUEM-UHFFFAOYSA-N 376.419 1.770 0 50 GDAA COCCCN1C(=O)C[C@@](CC(=O)NCCSC)(c2ccccc2C)C1=O 14878650 LGVDEGDCOUGKOT-FQEVSTJZSA-N 392.521 1.898 0 50 GDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2snnc2C)CC1 15077239 XLELWUWQAMQYEW-MRXNPFEDSA-N 382.530 1.826 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)CC1 16489508 GXILAQJUCIWLIZ-INIZCTEOSA-N 375.425 1.718 0 50 GDAA COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1 19561761 JCJIUUMGVATHPI-UHFFFAOYSA-N 393.303 1.458 0 50 GDAA COc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Br 19619342 SZILKMPEVLCTRX-UHFFFAOYSA-N 393.303 1.458 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCCCn1ncc2ccccc21 20209425 AMBMLEJDEVDEFN-LJQANCHMSA-N 383.496 1.699 0 50 GDAA Cc1cc(CN(C)C(=O)Cn2ncc(N3CCc4ccccc4C3)cc2=O)on1 20541037 KEZSBWPQSPOHPH-UHFFFAOYSA-N 393.447 1.761 0 50 GDAA CCN1CCN(C(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 65364107 JWWPKJAIEOUNKC-OAHLLOKOSA-N 383.514 1.322 0 50 GDAA O=S(=O)(c1ccccc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72115712 KAIHBHMFPQNHQT-UHFFFAOYSA-N 387.509 1.978 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)C[C@@H]3CN(C)CCN3C)CC2)OC1=O 77297792 OPFMZASUUVHEHX-QGZVFWFLSA-N 380.533 1.482 0 50 GDAA CC(C)NC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77424536 GZRXCGCXZWPELX-INIZCTEOSA-N 381.498 1.620 0 50 GDAA CCn1cnnc1CCNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 91270453 HPAJZFFUUSZMAR-UHFFFAOYSA-N 385.380 1.566 0 50 GDAA NC[C@@H](O)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91603908 GMCQLSHTXAWVTP-INIZCTEOSA-N 381.423 1.016 0 50 GDAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1cccc(OCCO)c1)CC2 91713931 GBJJSASTYHEDJQ-UHFFFAOYSA-N 376.453 1.347 0 50 GDAA Cc1ccccc1SCC(=O)N1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 91736583 PKRMASCLRLPBJM-RTBURBONSA-N 391.581 1.792 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4ccc(=O)[nH]c4)C3)CCC2=O)cn1 92107344 PINSQGQTXSTUQW-NRFANRHFSA-N 395.463 1.518 0 50 GDAA O=C(c1c(F)cccc1Cl)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95353196 GHONHXBQVHWXFW-HUUCEWRRSA-N 384.879 1.864 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1Cc1cccnc1 95370988 LCRSTIKGHCONHA-IBGZPJMESA-N 381.480 1.956 0 50 GDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2 95373733 UBJRSRUNSXGMGM-XJKSGUPXSA-N 376.482 1.511 0 50 GDAA CSc1nccc(N2CCC(N3CCN(C[C@@H]4CCCO4)CC3)CC2)n1 95374149 RTFJOWQSBIEQAZ-KRWDZBQOSA-N 377.558 1.964 0 50 GDAA CCCCNC(=O)c1cccc([C@H](C(=O)O)N2CCCN(C(C)=O)CC2)c1 95374262 NQCRHUWTEIEOSY-GOSISDBHSA-N 375.469 1.896 0 50 GDAA O=C1CCCN1CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 95531616 PTABMVMWUOCYHN-QFIPXVFZSA-N 398.507 1.478 0 50 GDAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@]2(C(=O)O)C1 96180132 GRSXMCZMDSRVRR-SJCJKPOMSA-N 387.263 1.985 0 50 GDAA Cn1ncc2c(=O)n(CC(=O)N(c3cccc(F)c3)C3CCOCC3)cnc21 150949565 UCJXEXSEKWFSEQ-UHFFFAOYSA-N 385.399 1.481 0 50 GDAA O=C(NCC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1OC(F)F 155563799 WECRDHAIJNGHKS-GFCCVEGCSA-N 379.367 1.890 0 50 GDAA CNc1cc(N2CCC[C@@H]2CNC(=O)c2nc3ccccc3c(=O)[nH]2)ncn1 173289274 CGPIXVXLHKDIPF-GFCCVEGCSA-N 379.424 1.154 0 50 GDAA CCCc1noc2nc(C3CC3)cc(C(=O)N3CCN(CC(=O)NC)CC3)c12 194261596 LKBZFSOESIAOHP-UHFFFAOYSA-N 385.468 1.557 0 50 GDAA Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)no1 195358949 TWBQQIUEPMWOBY-MRXNPFEDSA-N 383.452 1.581 0 50 GDAA CSc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 213199250 NEYXOQCOCLQZQL-KGLIPLIRSA-N 375.494 1.560 0 50 GDAA CCCCC(=O)N1CCN(Cc2cnn(CC)c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 216935935 VWLVXWVLBMPGSQ-SJORKVTESA-N 382.530 1.211 0 50 GDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H](c1ccco1)N1CCCCC1 239425833 VIPZIIQOSITUQN-RHVZCBDQSA-N 397.475 1.730 0 50 GDAA CC(C)[C@@H](NC(=O)CN1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 245397733 QEWJVHLDWWSPPQ-HNAYVOBHSA-N 375.469 1.611 0 50 GDAA CS(=O)(=O)Nc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F 261730656 MSAQGJLZCSZPEZ-UHFFFAOYSA-N 379.457 1.841 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1Cl 298832978 XPTLCBVCRHXDPN-NSHDSACASA-N 381.903 1.794 0 50 GDAA CCn1ncnc1COC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 367386729 WIQKFYSGPOLUDU-UHFFFAOYSA-N 379.438 1.364 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)NCc2nc(O)c3ccccc3n2)CC1 426739672 HDCBTWOPCVJWBP-UHFFFAOYSA-N 381.440 1.096 0 50 GDAA CN(C)c1cncc(-c2cccc(C(=O)N3CCC4(CC3)CNC(=O)O4)c2)n1 534644836 VLCPLOWOEAFZLO-UHFFFAOYSA-N 381.436 1.924 0 50 GDAA Cc1cc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)nc(C)n1 670441985 GHIDCTPCOMIJNK-DHHCDUQHSA-N 377.492 1.391 0 50 GDAA Cc1nc2ccccn2c1CN1CCC2(CC1)CN(S(C)(=O)=O)CCO2 825277431 RHXLDOAICDCRJB-UHFFFAOYSA-N 378.498 1.269 0 50 GDAA CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2c(C)nsc2C)CC1 888103627 QLEJYIHRVZOSDZ-QZTJIDSGSA-N 391.541 1.739 0 50 GDAA CN1C(=O)CCC[C@H]1C(=O)OCc1nnnn1-c1ccc(C(F)(F)F)cc1 922998253 HMFOMMUBGNGIQC-LBPRGKRZSA-N 383.330 1.735 0 50 GDAA COCC(=O)Nc1cc(NC(=O)[C@@H]2Cc3ccccc3C(=O)N2)ccc1OC 952870279 VFYPHKOFXLRKOT-INIZCTEOSA-N 383.404 1.573 0 50 GDAA CNC(=O)Cn1cc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cn1 1506403344 TWEIJNHJKFJBNT-UHFFFAOYSA-N 383.452 1.428 0 50 GDAA COc1ccc([C@@H](C)NC(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1 1506426918 VWQWZYLDCGRJFA-QGZVFWFLSA-N 390.528 1.540 0 50 GDAA CC(=O)c1cc(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cs1 1565529393 HKPOCKLFOMVQBU-GJZGRUSLSA-N 379.507 1.701 0 50 GDAA CCc1nn2c(=O)cc(CN3C[C@@H](Cc4cc(C)no4)[C@@H](OC)C3)nc2s1 1704300401 SVMWXKPCPBAQLC-DOMZBBRYSA-N 389.481 1.699 0 50 GDAA CN(C)C(=O)c1ccc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)nc1 1704339705 XQKCMYBXPYICLT-UHFFFAOYSA-N 380.514 1.237 0 50 GDAA Cc1cc(C)c2ccc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2n1 1704342125 HSFCRPRKQFEPGE-YJBOKZPZSA-N 391.493 1.488 0 50 GDAA OC[C@H](Cn1cnc2c(N3CCC[C@@H](c4cc[nH]n4)C3)ncnc21)[C@@H]1CCOC1 1857527867 NFWGNOLIZQJFFI-OAGGEKHMSA-N 397.483 1.578 0 50 GDAA CN1CCC[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)c2n[nH]c3c2CCC3)C1 1857670416 MPLVGNIUMNAWCO-FVNRHKFKSA-N 397.523 1.302 0 50 GDAA COc1ccc(CN2CCO[C@]3(CCN(CC(=O)O)C3)C2)c(OC)c1OC 1857694804 XUDPEERVCIHIFN-IBGZPJMESA-N 380.441 1.074 0 50 GDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cnc2ccccn2c1=O 1857719853 XDHNKEBMNIMTDM-ZIFCJYIRSA-N 390.443 1.639 0 50 GDAA Cc1cccc(-c2noc(CCC(=O)N[C@@H]3CCC[C@H](NC(=O)CO)C3)n2)c1 1857720580 AIYCADOZNKTVSV-CVEARBPZSA-N 386.452 1.514 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2nc3c(s2)CCCC3)[C@H]1c1cnn(C)c1 1857722306 GOZQMXOWSFJXOZ-RDJZCZTQSA-N 389.525 1.899 0 50 GDAA Cc1nc(CN2C[C@@H]3[C@H](CNC(=O)c4cnc[nH]4)[C@H]4CC[C@]3(C2)O4)sc1C 1857728233 SJNCFQDTEOTGRR-XWESNNAXSA-N 387.509 1.892 0 50 GDAA C[C@@H](c1nc([C@H]2CCCN2S(C)(=O)=O)no1)n1ccc(C(F)(F)F)n1 1875269479 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394.475 1.857 0 50 GDAA COCCN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 23339929 AOMOYTZCNYIBHQ-UHFFFAOYSA-N 381.379 1.936 0 50 GDAA CCc1nc(C)c(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)o1 96152354 UXEHVLDGRBWEKX-UHFFFAOYSA-N 383.456 1.939 0 50 GDAA CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)CC2 182669159 JOLWEVKABIDNBS-LLVKDONJSA-N 386.424 1.778 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)Cc2ccc3cnccc3c2)N(c2ccncn2)C1 864340367 YIGXYSGDIIVBMO-OALUTQOASA-N 377.448 1.977 0 50 GDAA NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c1 299749337 JZGVFJQMGBQWKI-INIZCTEOSA-N 398.415 1.680 0 50 GDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCC2(CC1)CNCCO2 534673916 UXTDDRRNRCNYNT-UHFFFAOYSA-N 377.466 1.793 0 50 GDAA CCn1c(=O)n(CC)c2cc(NC(=O)N[C@@H]3C[C@@H](CO)N(C)C3)c(C)cc21 299764769 FAPHRACHOWAVEX-KGLIPLIRSA-N 375.473 1.338 0 50 GDAA Cn1cc([C@H]2CCCCN2C(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2)cn1 1875293298 LASJXKNSMXOLCD-HZPDHXFCSA-N 377.470 1.344 0 50 GDAA CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 1875257544 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C[C@H](NC(=O)c1cc(N2CCOCC2)no1)c1ccc(S(C)(=O)=O)cc1 1772809045 KQBAQYKRTRBUEX-LBPRGKRZSA-N 379.438 1.406 0 50 GDAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 5392449 XMUHVDVARMKXCQ-UHFFFAOYSA-N 391.468 1.843 0 50 GDAA CN(C)[C@H]1CCN(C(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)C1 11934737 QMHKYCMPURBMNC-HNNXBMFYSA-N 395.525 1.266 0 50 GDAA CCOc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)cc1 12411905 FQSOUSWIWZWCHR-UHFFFAOYSA-N 382.420 1.749 0 50 GDAA CN(C[C@H]1COCCO1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 12438818 DDRRSTIGODOALY-AWEZNQCLSA-N 384.358 1.833 0 50 GDAA CN1CCN(C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1 16648419 NQIPNZIKUQBKQG-UHFFFAOYSA-N 393.553 1.435 0 50 GDAA CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)CCCCC1 19745500 JZMUANKLMVOQQW-QGZVFWFLSA-N 393.528 1.892 0 50 GDAA Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)[C@H]3COCCO3)C2)c(Cl)c1 1857530423 LWTSESWPTOHIIC-RHSMWYFYSA-N 380.872 1.984 0 50 GDAA CN(CCn1cnc2ccccc21)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1857666650 GNIXJRUSJVVVEH-MRXNPFEDSA-N 377.448 1.938 0 50 GDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1ncc[nH]1)C2 1857685138 CUKGDRDSBFROCA-FUHIMQAGSA-N 376.501 1.666 0 50 GDAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857692861 XSSHTYQWYNXOSB-PFRXFLFYSA-N 376.497 1.197 0 50 GDAA Cc1ccc(C(N)=O)c(N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)n1 1857697838 OGVJCXRJTPSBFY-HXUWFJFHSA-N 382.468 1.535 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2NC(=O)[C@H]1CCOC1 1857698345 MLMQYMHUYBTIRZ-CLWJZODNSA-N 388.512 1.359 0 50 GDAA CCc1nnc(N2C[C@H](C(=O)NCc3ncc(C)c(OC)c3C)CC2=O)s1 1857712455 BFXLTIYAPVFIQA-GFCCVEGCSA-N 389.481 1.790 0 50 GDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)[C@H]2CC[C@@H](O)CC2)cn1 1857713559 POKWKGIUHRRYOW-RNQOJCNYSA-N 390.528 1.726 0 50 GDAA Cn1ccc(C(=O)N2CCC(C3CCN(c4ncccn4)CC3)CC2)cc1=O 1857719827 WIPXNYWBFVGHJZ-UHFFFAOYSA-N 381.480 1.944 0 50 GDAA O=C(NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3)c1cnccn1 1857722100 BMDYAJBNQOPYCG-XHYAQGIWSA-N 378.476 1.929 0 50 GDAA Cc1nn(C)cc1C(=O)NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3 1857731850 REYBPBYCJHRTQH-GKDNMFGBSA-N 387.509 1.594 0 50 GDAA COc1ccnc(N2CCN([C@H]3CCCN(c4ccccc4F)C3=O)CC2)n1 156953972 JLZYAZDKAPSTGI-KRWDZBQOSA-N 385.443 1.942 0 50 GDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ncc2c(n1)CCC2 909650724 JPWBHAIFYKWTIZ-LJQANCHMSA-N 377.448 1.810 0 50 GDAA CS(=O)(=O)CCN1CCC(NC(=O)NCc2ccc3occc3c2)CC1 852087446 JVYZPJKAKPINKQ-UHFFFAOYSA-N 379.482 1.741 0 50 GDAA Cc1cnsc1NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325789001 ZXJWFIGSINFEGC-UHFFFAOYSA-N 376.413 1.514 0 50 GDAA COCCNC(=O)Cn1cc(NS(=O)(=O)c2sccc2C2CC2)cn1 2325830019 YBBHMINTNQXBNM-UHFFFAOYSA-N 384.483 1.385 0 50 GDAA CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)cc1 1095631 SRFXMPFBHNKAKS-UHFFFAOYSA-N 391.449 1.030 0 50 GDAA O=C1N[C@H](c2cccc(O)c2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 4269934 IKZIMWGLKBWNBI-IOASZLSFSA-N 381.310 1.891 0 50 GDAA CC(C)[C@@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 4867425 STDRLPUYJVGFOD-SNVBAGLBSA-N 383.207 1.679 0 50 GDAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N1CCN(CC2CC2)CC1 11878565 IRGLHZYRHXXZPT-IBGZPJMESA-N 388.487 1.070 0 50 GDAA CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2 12211731 KVWCOEOLEGJSKM-FUHWJXTLSA-N 387.484 1.779 0 50 GDAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=O)C1 12439227 NDUHAXRWMKRDSG-OAHLLOKOSA-N 376.482 1.590 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cn2ccccc2n1 19885552 DBIADUZAOQSGDY-GOSISDBHSA-N 395.438 1.480 0 50 GDAA Cc1ccc(NC(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)cc1C 23398081 FCJHUJPBAQBOSY-SFHVURJKSA-N 385.468 1.814 0 50 GDAA Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 55269830 UOHRQOUUDYGOKH-AWEZNQCLSA-N 393.538 1.081 0 50 GDAA Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)n1 65364521 ZFHBHSQEPIJXFY-UHFFFAOYSA-N 393.488 1.809 0 50 GDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1coc(COc2cccc3cnccc23)n1 67805691 IUVYXYJZJQMDLE-CYBMUJFWSA-N 385.401 1.842 0 50 GDAA COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)O)c3ccccc3)n2)c1 71328928 XBHWRKIFHDHUKA-FQEVSTJZSA-N 393.399 1.861 0 50 GDAA O=C(NCc1nc[nH]n1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764536 HWPPKGYTXSQXTC-QGZVFWFLSA-N 383.500 1.193 0 50 GDAA O=C1NC[C@@]2(CCCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)O1 72127220 XRXUFAACTQNAOH-KRWDZBQOSA-N 376.438 1.526 0 50 GDAA CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 72442116 OSQMCSUXPCZEOT-HNNXBMFYSA-N 387.933 1.560 0 50 GDAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)CCN)C2)c1ccccc1 77470893 GJOFVLGHNGVGQA-OAHLLOKOSA-N 387.505 1.960 0 50 GDAA CC(C)CCN1CC2(CCN(C(=O)CN3CC[C@@H](N(C)C)C3)CC2)OC1=O 77518667 WVERWKAHKLEPPL-QGZVFWFLSA-N 380.533 1.482 0 50 GDAA C[C@@H](N)C(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2 77519000 PRLJDEDWMWJLRY-MRXNPFEDSA-N 380.533 1.802 0 50 GDAA C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)CCCO1 77535974 CFCUZOYCTNYJNU-AWEZNQCLSA-N 399.447 1.644 0 50 GDAA COc1ccccc1-n1cc(C(=O)N2CCN(Cc3nccn3C)CC2)cn1 91625533 MYHXNDGNMNBZOR-UHFFFAOYSA-N 380.452 1.572 0 50 GDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccc(CO)o2)CC3)cn1 95375199 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O=C(CN1CCN(c2ccccn2)CC1)NCc1cccnc1-n1ccnc1 175251506 UNLXEFKMGZSIMP-UHFFFAOYSA-N 377.452 1.101 0 50 GDAA Cn1cncc1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 225412671 KVBGHFHXNARIJI-NVNXTCNLSA-N 388.424 1.954 0 50 GDAA O=C([C@@H]1COCCN1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 237706516 FABWBGDOULQTJS-LBPRGKRZSA-N 378.782 1.391 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)C1 244899404 ZJFZAMXCHQMYJV-CTYIDZIISA-N 384.415 1.640 0 50 GDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1nnc2ccccn12 252538246 MSYODCAZAJKTGB-OAHLLOKOSA-N 392.419 1.451 0 50 GDAA O=C(O)[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC[C@H]1C(=O)O 275189247 XNUUHRQLAOCNGV-RKDXNWHRSA-N 399.318 1.641 0 50 GDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 276598559 VIURTVBLZPSEFA-MRXNPFEDSA-N 391.479 1.806 0 50 GDAA COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)O)c3ccccc3)CC2=O)cc1OC 299752440 UDLHZPJNDLLHLI-LIRRHRJNSA-N 398.415 1.999 0 50 GDAA O=C(CCc1nc2ccccc2nc1O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299766987 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KNHMEPIOZGNWKQ-HOTGVXAUSA-N 378.432 1.636 0 50 GDAA COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1OC 269011608 XQTFLEHPFJPNNN-QGZVFWFLSA-N 389.496 1.401 0 50 GDAA CC1=NN(c2ccc(C(=O)N3CC[C@H](N(C)Cc4nccc(N)n4)C3)cc2)CC1 276491226 OVBLEAMTPAAKCR-SFHVURJKSA-N 393.495 1.991 0 50 GDAA Cc1cnn(C)c1S(=O)(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 285595973 LBOOCWHZRPRPFY-CQSZACIVSA-N 395.554 1.860 0 50 GDAA C[C@H]1Oc2ccccc2N(CCC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)C1=O 299749529 KPVSOKDOYKIIES-CABCVRRESA-N 390.436 1.673 0 50 GDAA NC(=O)c1cccnc1N1CCN(C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 299785906 OZKAWMYROQUSEK-INIZCTEOSA-N 379.464 1.356 0 50 GDAA COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)cc(C(=O)OC)c1 299785936 MRFSVMFXXXUONV-MFKMUULPSA-N 375.381 1.002 0 50 GDAA O=C1OCc2ccc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc21 328608732 BDBDYELQHPKRLP-XJKSGUPXSA-N 379.459 1.815 0 50 GDAA O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN2C(=O)N=C(O)[C@H]2C1 330141671 QCMMSJSBANNSIA-RHSMWYFYSA-N 392.415 1.796 0 50 GDAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1 366497595 NIKKUWZHSGFQIN-WIYYLYMNSA-N 395.507 1.592 0 50 GDAA NC(=O)C[C@@H]1COCCN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 452089610 SXGFINLYUPFHFP-LLVKDONJSA-N 396.419 1.603 0 50 GDAA CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 730209789 HZSNALISYRWEMB-DZGCQCFKSA-N 377.416 1.916 0 50 GDAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCc4nn(C)c(=O)n4C3)cc2)CC1 823764714 AMUBLDOYWYGCCY-AWEZNQCLSA-N 385.468 1.256 0 50 GDAA C=CC(=O)N1CCC(C(=O)NC[C@@H](O)c2cccnc2)(c2ccccc2)CC1 847596823 RDZUSIZQUCFLKZ-LJQANCHMSA-N 379.460 1.978 0 50 GDAA COc1ccc([C@H](NC(=O)c2nnn([C@@H]3CCNC3)c2C)c2nccn2C)cc1 888101799 OLNNBEJINOLMIZ-QAPCUYQASA-N 395.467 1.382 0 50 GDAA COCCCn1cnnc1CNCc1cccc(OC)c1O[C@H](C)C(=O)O 952873481 ZKBOSLZNWUEUMG-CYBMUJFWSA-N 378.429 1.465 0 50 GDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2 1565512998 NTYPXFMSLTWMSF-CVEARBPZSA-N 380.448 1.724 0 50 GDAA COc1ccc(CCCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704300716 YPACWBRETMIMTJ-RDJZCZTQSA-N 384.498 1.041 0 50 GDAA O=C(c1nnc(O)c2ccccc12)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(CO)C1 1772708723 BJSOGHUQXXSSAX-LHSJRXKWSA-N 396.447 1.028 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@]2(CCc2ccccc2)C1 1775978959 RHGDDQIVTBOJHY-PKOBYXMFSA-N 388.493 1.376 0 50 GDAA CCN(CC)CC(=O)N1CCOC2(CCN(c3nccc(SC)n3)CC2)C1 1775990148 CUIZYKAQPRSBSE-UHFFFAOYSA-N 393.557 1.738 0 50 GDAA Cc1nn(CC(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c(=O)c2ccccc12 1800411175 HKCOWTJOMAUPFS-MRXNPFEDSA-N 385.420 1.045 0 50 GDAA CC[C@]12COC(=O)N1CCN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C2 1857682055 MRNSSONCOCVJMF-KRWDZBQOSA-N 399.444 1.035 0 50 GDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NC[C@@H]3CCCO3)C2)no1 1857687104 KSYVEJGLJOJAKA-DOXZYTNZSA-N 376.457 1.005 0 50 GDAA CN(C)c1nc(N(C)CCO)c2c(n1)C1(CC2)CCN(Cc2cnc[nH]2)CC1 1857687396 VTQBFZRVLHZOAD-UHFFFAOYSA-N 385.516 1.174 0 50 GDAA CSCC(=O)N1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@]2(CO)C1 1857702657 FXRPPVLDOMUJBO-LPHOPBHVSA-N 377.510 1.054 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)NCc3nc(Cc4ccccc4)no3)CC2=O)s1 1857729307 DDGFYXJKXNQDHY-ZDUSSCGKSA-N 398.448 1.490 0 50 GDAA CCNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3sccc3C)[C@H]3CC[C@]2(C1)O3 1857738510 LDRJOCSMMOTEQK-NRTGNBEESA-N 377.510 1.402 0 50 GDAA O=C(NCC[C@@H]1CCN(C(=O)Cc2cncc(O)c2)C1)c1cccc2nncn12 1875330895 HQWDSAPWHXIERN-CQSZACIVSA-N 394.435 1.041 0 50 GDAA C=CC(=O)N1CCn2ncc(CNC(=O)[C@H]3CC(c4ccccc4)=NO3)c2C1 1875389115 CBOLJZSLDRCLKJ-GOSISDBHSA-N 379.420 1.221 0 50 GDAA CCO[C@H](CC)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cccn2nccc12 2325793828 IZHQMIXCSPMVFP-WMLDXEAASA-N 376.457 1.041 0 50 GDAA Cc1cccc(N=c2[nH]c(CN3CCC4(CC3)C[C@](C)(O)CCO4)nc(=N)[nH]2)c1 2356141212 YHGDATNNNQOSLA-HXUWFJFHSA-N 398.511 1.654 0 50 GDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 6702096 UGCWGHRGDCBFEL-UHFFFAOYSA-N 390.889 1.248 0 50 GDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2ccccc2F)[nH]n1 12317370 VOFAOPXXCPCHSK-CQSZACIVSA-N 391.399 1.922 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)n1 12595770 KGZSSTDQIFDHDW-NSHDSACASA-N 384.362 1.547 0 50 GDAA CCOC(=O)C1(CCOc2ccccc2)CCN(S(=O)(=O)N(C)C)CC1 12753929 OBUXTAFPEIDIOJ-UHFFFAOYSA-N 384.498 1.907 0 50 GDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 13595160 HISSKCMKLPPMHM-SFHVURJKSA-N 375.517 1.502 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 15062970 HYALKHAQHBMGET-IBGZPJMESA-N 396.491 1.755 0 50 GDAA O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 15085477 YNPZLXPEYIEMDJ-UHFFFAOYSA-N 380.397 1.805 0 50 GDAA O=C(COc1ccccc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 36708242 DEWZKRBPDIDYDL-UHFFFAOYSA-N 383.452 1.041 0 50 GDAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55072443 AZKBWFLRBCNYAD-LJQANCHMSA-N 399.470 1.775 0 50 GDAA COCCn1c(=O)n(CC(=O)N2CCCCCC2)c2cc(C(=O)O)ccc21 55244247 GGTDASNYFLVYHG-UHFFFAOYSA-N 375.425 1.550 0 50 GDAA O=c1c2c3c(sc2ncn1CCc1nc(-c2ccccn2)no1)CNCC3 65531692 IMMWQNBPXIMPHE-UHFFFAOYSA-N 380.433 1.791 0 50 GDAA NC(=O)NCCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71551763 SZJSYPYVUQZPLI-FSPWUOQZSA-N 378.423 1.412 0 50 GDAA Cc1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)c1ccc(-c3ccon3)s1)C2 71750115 JIVLNTADRCTTAB-UHFFFAOYSA-N 378.435 1.542 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccccc2)C1 72441830 PHHNAINJSAGBDZ-QGZVFWFLSA-N 399.582 1.945 0 50 GDAA Nc1[nH]nc(C(=O)N2CCOC[C@H]2CC(=O)NCC2CC2)c1-c1ccccc1 72459173 ZEFYMLLXLXZGKC-OAHLLOKOSA-N 383.452 1.416 0 50 GDAA COc1cc2c(cc1CN1CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C1)CCC2 77422565 LWHCUXNTQQAHCO-UYAOXDASSA-N 381.476 1.944 0 50 GDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CN1Cc1ccc(C)s1 91493877 OMBCCJUGAOKAEH-CJNGLKHVSA-N 375.498 1.597 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc(C)nc3cc(F)ccc23)C[C@@H]1CO 91780027 YKEDWFULGYDKSR-HZPDHXFCSA-N 389.471 1.941 0 50 GDAA CN(CC(=O)N1CC[C@H](N2CCOCC2)[C@H](CCC(=O)O)C1)c1ccccc1 91793036 YIJCHROZOHFHSM-MJGOQNOKSA-N 389.496 1.537 0 50 GDAA O=C1CC[C@@]2(CCCN(C(=O)Cn3ccc(=O)cc3)C2)CN1CCc1c[nH]cn1 91794220 OHKKKXDCOUXWIS-OAQYLSRUSA-N 397.479 1.045 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCCn1cncn1)CC2 92065272 BZOBKJPOZDLUJQ-UHFFFAOYSA-N 385.472 1.094 0 50 GDAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccc3c(=O)n(C)cnc3c1)C2 95374991 LDRXVOFSPVJQAN-CYBMUJFWSA-N 379.416 1.923 0 50 GDAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1coc(CN2CCOCC2)c1 95378720 HEPUHUOFRPVRGR-SFHVURJKSA-N 383.448 1.643 0 50 GDAA Cc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)n(C)c2ccccc12 95383083 VQUFOUYCWTZOAR-LSDHHAIUSA-N 375.494 1.983 0 50 GDAA O=C(c1ccc(=O)[nH]c1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95383971 DQYLBKHKLLOSEP-ZLGUVYLKSA-N 393.443 1.806 0 50 GDAA Cc1nc(CCC(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n[nH]1 95501219 DGUQLEWYABXVJQ-HXUWFJFHSA-N 399.499 1.243 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95506792 CJXFKAXNEKHOFE-MRXNPFEDSA-N 378.436 1.289 0 50 GDAA CC(C)(C(=O)N1CCC[C@H](N)C1)S(=O)(=O)c1ccc(Br)cc1 158485212 NLAMESZBCFBCNL-LBPRGKRZSA-N 389.315 1.951 0 50 GDAA Cc1nccc(N2CCN(C(=O)[C@H](c3ccccc3F)N3CCOCC3)CC2)n1 184932457 JELSNXILWKUYSC-FQEVSTJZSA-N 399.470 1.646 0 50 GDAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1cccn1S(=O)(=O)c1ccccc1 210045464 GTVOWOMQCSEQIE-WBVHZDCISA-N 378.450 1.223 0 50 GDAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCNCC3)c2)CC1 215863715 DEZNOKTXVMQMHF-UHFFFAOYSA-N 377.510 1.851 0 50 GDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)C1 229776155 JARRQWYKPSOLOJ-SWLSCSKDSA-N 376.425 1.176 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)cc1 252483532 FDPFLFKKOQNJHE-INIZCTEOSA-N 392.481 1.736 0 50 GDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc(OC)cc2)C1=O 252551896 UKBCSSKOXZZQGX-JQFCIGGWSA-N 391.468 1.623 0 50 GDAA CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 253369687 GRCPJSOINQBHKS-FZNQNYSPSA-N 382.482 1.225 0 50 GDAA C[C@@H](O)C(=O)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 253433633 ZOOKRBWVCIHUIH-MRVPVSSYSA-N 388.287 1.448 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnc2n[nH]c(C)c2c1 266355412 OPZUQQSNKKURST-CYBMUJFWSA-N 388.453 1.692 0 50 GDAA CCN1CC[C@H]2OCCN(S(=O)(=O)c3c(C(F)F)c(C)nn3C)[C@H]2C1 333142258 JNKIGQMWIWCGHG-NWDGAFQWSA-N 378.445 1.150 0 50 GDAA CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccccc2OCC(F)(F)F)C1 366742950 NAOZNOLRQAWZJN-GFCCVEGCSA-N 395.403 1.461 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2=O)c1 426370467 LHVATRBQWNYZPS-FQEVSTJZSA-N 377.460 1.737 0 50 GDAA COc1ccc(CNC(=O)C2CCN(C(=O)NCc3cnn(C)c3)CC2)cc1 426399190 IZMHRLFWUYNFPG-UHFFFAOYSA-N 385.468 1.667 0 50 GDAA CN(C)CCN(C)C(=O)c1cccc(-c2ccc(S(N)(=O)=O)cc2F)c1 426419723 HVDWRXLUURTWCF-UHFFFAOYSA-N 379.457 1.774 0 50 GDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)N[C@H](C)Cn2cncn2)C3)cc1 426501770 NCKXAYKMEYXTRX-CQSZACIVSA-N 393.451 1.781 0 50 GDAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2ccccc2S(N)(=O)=O)c1 426535493 MQOXKMMINSVRDF-CYBMUJFWSA-N 387.461 1.304 0 50 GDAA COc1cccc(CN(C)C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c1 584885510 MUOAUZALVJMFLY-UHFFFAOYSA-N 390.484 1.753 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2c3c(nn2C)CCCC3)cc1 825176840 JUKFUJAUBIOSGA-UHFFFAOYSA-N 390.509 1.706 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H](C)c1cc(C)on1)C2 888102285 NEBFIHFUQDQMTQ-GFCCVEGCSA-N 378.454 1.720 0 50 GDAA C=CC(=O)N(CC)CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 900261693 HYVRXLWNEOHXNT-UHFFFAOYSA-N 382.464 1.416 0 50 GDAA CO[C@@]1(c2nnc(Cn3cc4cc(C(=O)N5CCCC5)ccc4n3)o2)CCOC1 902561065 FEUHFBQQHJVINU-FQEVSTJZSA-N 397.435 1.966 0 50 GDAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H]1CCCN2CCSC[C@@H]12 928075404 OBTVLBVXQUADDI-KURKYZTESA-N 388.537 1.839 0 50 GDAA Cc1nn(Cc2ccc(S(=O)(=O)N(C)C)s2)c(C)c1[C@H]1COCCN1C 952893286 IMAOLORCMCZSMY-OAHLLOKOSA-N 398.554 1.863 0 50 GDAA COCCCCS(=O)(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952893844 KSIJYFVJHSXFNL-UHFFFAOYSA-N 393.513 1.813 0 50 GDAA Cc1ncnc(N2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)c1C 1506399299 LVEHDYSEZFGZEZ-UHFFFAOYSA-N 378.436 1.535 0 50 GDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]12 1704297432 RQNQFLCRZGWWGT-IEBWSBKVSA-N 393.509 1.039 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1704341182 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Cc1ccn2c(C(=O)N3CC[C@H](O)[C@@](CO)(Cc4ccc(F)cc4)C3)nnc2n1 1857714947 UKPFBZDKZXKWTP-JXFKEZNVSA-N 399.426 1.000 0 50 GDAA O=C(CCCc1nc(-c2ccncc2)no1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857718884 YENURJXIYJXWOT-NVXWUHKLSA-N 394.435 1.306 0 50 GDAA O=C1C[C@H]2N(S(=O)(=O)C3CCOCC3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857732387 OBYATFHLXDVONI-SCTDSRPQSA-N 392.477 1.270 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@H]1NC(=O)c1ccc(F)cc1 1875245008 GGZGVSLNBTUAJK-NUEKZKHPSA-N 379.432 1.121 0 50 GDAA O=C([C@H](C1CC1)N1CCOCC1)N1CCn2c(CCc3ccccc3)nnc2C1 1875261406 RZPTXGPBRPSYAL-NRFANRHFSA-N 395.507 1.516 0 50 GDAA CSc1ccnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)n1 1875266761 FXRPNXFIVKYDOY-LBPRGKRZSA-N 380.451 1.364 0 50 GDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 1875370842 FZCGKICVPYPEKT-NVXWUHKLSA-N 397.454 1.940 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c(Cl)c(C)nn3C)C2)n1 1875397195 PHGVVDZQUCAHAU-CYBMUJFWSA-N 391.907 1.517 0 50 GDAA NC(=O)Cc1nc(-c2ccc3cccc(F)c3n2)n([C@@H]2CCS(=O)(=O)C2)n1 2100544727 HAROATUMMLKGBE-LLVKDONJSA-N 389.412 1.020 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3conc3C(C)(C)C)ccc21 2325782818 JCECQNITYFOQQI-UHFFFAOYSA-N 378.454 1.641 0 50 GDAA O=C(C[C@@H]1CN(Cc2csnn2)C2(CCC2)CO1)N1C[C@@H](O)CC2(CC2)C1 2325785121 DCUKDEZVENIMOW-JKSUJKDBSA-N 392.525 1.425 0 50 GDAA O=C(N[C@H]1CCCNC1)c1ccc(=NCc2cc3ccccc3nc2O)[nH]n1 2325859885 OKRVLLMUIXDSLC-HNNXBMFYSA-N 378.436 1.246 0 50 GDAA COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC(F)(F)C1 2325878951 BUKUEPROZXUAEP-SECBINFHSA-N 385.758 1.791 0 50 GDAA C[C@H](C(=O)N[C@H]1CC2(CN(C(=O)Cc3ccon3)C2)n2ccnc21)C(C)(F)F 2332237773 KTNRWDCFAHOBAW-YPMHNXCESA-N 393.394 1.504 0 50 GDAA C[C@@H](C(=O)NCC(=O)N1CCc2ccccc21)n1nnc(-c2ccccc2)n1 172985990 WFSAOTIQOSVQAP-AWEZNQCLSA-N 376.420 1.607 0 50 GDAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)c2nc[nH]n2)CC1 20856592 XYCDUQFQVIYALX-CQSZACIVSA-N 397.357 1.409 0 50 GDAA CCn1c(CC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nn(C)c1=O 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COc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1nc(-c2cnccn2)n[nH]1 426388143 JHTCOPKTENLQCV-LLVKDONJSA-N 379.380 1.013 0 50 GDAA CN1CCN(C[C@@H]2CN(C(=O)c3cccc(OC(F)F)c3)C[C@@H]2CO)CC1 95386994 AJWDPSJWDDNKTO-HZPDHXFCSA-N 383.439 1.216 0 50 GDAA O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCN(c2ccccc2)C1=O 95499402 JLNPJHLITHKCOT-INIZCTEOSA-N 376.416 1.635 0 50 GDAA CCCS(=O)(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91807560 WUMJLGBAYSDHAS-UHFFFAOYSA-N 378.502 1.777 0 50 GDAA CC(C)c1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)nc2ncnn12 91518733 HVPDRIDNLCEUNY-GOSISDBHSA-N 395.467 1.446 0 50 GDAA Cc1cc(N2CCC(N3CCN(c4nc(C)cnc4C)CC3)CC2)nc(N)n1 95388736 KLPUVJUDDQWIPA-UHFFFAOYSA-N 382.516 1.565 0 50 GDAA CCOc1ncccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCOC)C2)C1 91645155 ZFEJAYVOUDFGHT-HXUWFJFHSA-N 375.469 1.972 0 50 GDAA C[C@H](C(=O)O)N(C)C(=O)CCN1C(=O)COc2cc(Br)ccc21 299753862 ZOXRCOFCKMHXJM-SECBINFHSA-N 385.214 1.496 0 50 GDAA O=C1CO[C@H](C(=O)NCCCNc2cccnc2)[C@@H](c2ccccc2Cl)N1 1940195738 JEBIRRNTCYTJRN-MSOLQXFVSA-N 388.855 1.910 0 50 GDAA COc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1C(N)=O 299763669 OXGQYOWSLHYNEW-AWEZNQCLSA-N 376.457 1.370 0 50 GDAA C[C@@H]1COC[C@@](CO)(CNc2ncc(Cl)c(O)n2)N1Cc1ccccc1 1875392583 JJBXQJQYJUKXKL-ACJLOTCBSA-N 378.860 1.900 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 1875314576 GUHWXMZONUHUBQ-KGLIPLIRSA-N 399.499 1.261 0 50 GDAA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N2CC[C@@H](CO)C2)C2CCCC2)CC1 888096697 JBBNBIRVAWNIIL-SJLPKXTDSA-N 395.544 1.939 0 50 GDAA CCCn1cc(C(=O)N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)c(C)n1 1565513611 DPLBXVWISKBYRK-IRXDYDNUSA-N 377.514 1.732 0 50 GDAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(=O)(=O)[C@@H]1CCOC1)CC2 275082053 FAUSUFKNKQYSCA-TZMCWYRMSA-N 385.438 1.196 0 50 GDAA COC(=O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC)c(O)c1 170598325 COAHLBYSNMFVJT-MRXNPFEDSA-N 393.417 1.448 0 50 GDAA CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(Br)cc2)C1=O 281901051 FRBHASQJDBDWPQ-VFZGTOFNSA-N 384.230 1.968 0 50 GDAA O=C([C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccs2)CC1)N1CCOCC1 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CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 12455677 YVPJZXHRQVMCOB-RDJZCZTQSA-N 386.448 1.393 0 50 GDAA COc1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3Cc2ccc(OC)c(OC)c2)ncn1 12586537 VVXDFHFCEYVEID-XJKSGUPXSA-N 386.408 1.712 0 50 GDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 14530405 PJWBMIPXENJIDC-KSZLIROESA-N 397.862 1.780 0 50 GDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 15062968 HYALKHAQHBMGET-LJQANCHMSA-N 396.491 1.755 0 50 GDAA O=C(Cc1ccccc1O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCCn1cccn1)C2 1857684529 RPOANOZSRVMCBV-OEWRPIJISA-N 396.491 1.965 0 50 GDAA COc1ccc(C(=O)NCCOCCO)cc1Oc1cccc(OC)c1CN 1857687925 LYJIGETXFNDJBJ-UHFFFAOYSA-N 390.436 1.694 0 50 GDAA CCc1noc(CN2CCOC3(CCN(Cc4nccn4C)CC3)CC2=O)n1 1857698867 MMXDCBATURALGN-UHFFFAOYSA-N 388.472 1.149 0 50 GDAA Cc1cc(C(=O)N2CCC(C3CCN(c4cc(N)ncn4)CC3)CC2)nn1C 1857712552 CYNSINMZKBOKBO-UHFFFAOYSA-N 383.500 1.870 0 50 GDAA CN1C[C@H](CN2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)CC1=O 1857723479 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O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)s1 23379788 XYNCCWOOHRXMOQ-GFCCVEGCSA-N 383.437 1.746 0 50 GDAA c1ccc(CNc2nc3nonc3nc2N2CCC(N3CCOCC3)CC2)cc1 20601042 VAZSGQANMLPSGB-UHFFFAOYSA-N 395.467 1.926 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)C(C)(C)NC(=O)c2cccs2)CC1 20599309 WFYNWEVCWASQLU-UHFFFAOYSA-N 375.498 1.334 0 50 GDAA COc1cccc(CNCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 12307090 DZZHWDMBURJZGE-LJQANCHMSA-N 387.480 1.452 0 50 GDAA Nc1nc(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1 67983366 RZLGTQIQDKQREU-AWEZNQCLSA-N 378.436 1.691 0 50 GDAA Cc1cccc([C@H](C)NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n1 67690381 QFSMAYUDAOQIOT-JTQLQIEISA-N 381.479 1.835 0 50 GDAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccccn3)C2=O)cc1 409413438 AUSLKERHCBSVKP-QGZVFWFLSA-N 382.420 1.654 0 50 GDAA C[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@H](C)N1 153505534 CNMNVIBYTGUJNV-QWRGUYRKSA-N 379.258 1.368 0 50 GDAA CN1CCN(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)C[C@@H]1c1nccn1C 368751338 SFRDKSMSCPDVJU-MRXNPFEDSA-N 386.431 1.965 0 50 GDAA COc1ccc(-c2cn3cc(C(=O)N[C@@H]4CCCOC4)nc3c(=O)n2C)cc1 72430784 SGMDNEKVKNPDTJ-CQSZACIVSA-N 382.420 1.617 0 50 GDAA Cn1cc(-c2ccnc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)cn1 373373169 NXGPQDWDDZPWRU-UHFFFAOYSA-N 398.448 1.908 0 50 GDAA CCn1cncc1CNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71759066 MVHRABCEGGPYAZ-OAHLLOKOSA-N 385.468 1.509 0 50 GDAA Cn1nnnc1N1CCC(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 375980123 JFWJUNATSKMCSZ-IBGZPJMESA-N 383.456 1.020 0 50 GDAA COc1ccc(CN2CCN(C(=O)Cn3cc(Cl)c(C)n3)CC2=O)cc1 82109371 ZQYVOPXVQSFCFL-UHFFFAOYSA-N 376.844 1.725 0 50 GDAA CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(-c4ncn(C)n4)c3)C2)CC1 162056408 QOXPKFDGZYQGPE-GOSISDBHSA-N 383.500 1.726 0 50 GDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnc3c(c2)CCC3)o1 426395929 INLALURTDITWFF-IBGZPJMESA-N 382.464 1.479 0 50 GDAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 426422684 AGLSIRJKDCOMRN-LJQANCHMSA-N 380.496 1.798 0 50 GDAA O=C(c1nc(O)nc2ccccc12)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91620814 CHSQARMEKQUXFV-HZPDHXFCSA-N 384.480 1.892 0 50 GDAA CSc1ccc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cc1 95384577 ISJHLUDUKVUIPT-JKSUJKDBSA-N 385.555 1.901 0 50 GDAA COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)cc1OC 299741001 CSNILYATJHJONT-NXEZZACHSA-N 393.303 1.967 0 50 GDAA CCn1c(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)nnc1[C@H]1C[C@@H](N)C1 252548782 QKSSCARRYXEXQJ-HDICACEKSA-N 382.512 1.656 0 50 GDAA Cc1ccc(-c2noc(CNC(=O)N(C)CC3CCN(CCO)CC3)n2)cc1 534674030 DAVXQFJPQMMOFO-UHFFFAOYSA-N 387.484 1.891 0 50 GDAA O=C(NCCCO)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 1940195979 ZSHKPZIASQGEMU-APHBMKBZSA-N 381.860 1.243 0 50 GDAA Cc1cc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)NCc3ccncc3)C2)ccc1O 71759562 YATKKZOVHKWUSD-ROUUACIJSA-N 383.448 1.935 0 50 GDAA COc1cccc2c1OC[C@H](NC(=O)c1cc(C)nc3c1c(O)nc(=O)n3C)C2 670469371 RZRNEYADCVCEAN-GFCCVEGCSA-N 396.403 1.085 0 50 GDAA Cc1nnc([C@]23CC[C@H]2CCN3S(=O)(=O)c2c(F)ccc3c2OCO3)o1 1875404526 LMDOJBOHQLRCDO-QFYYESIMSA-N 381.385 1.946 0 50 GDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)CC1 1875366880 SFUUBCFURZARGL-UHFFFAOYSA-N 384.480 1.718 0 50 GDAA CCCC(=O)N1CCOC2(CCN(c3ccc(-c4nccn4C)nn3)CC2)C1 952971927 RDIJYLXAZIEIJC-UHFFFAOYSA-N 384.484 1.875 0 50 GDAA CSCC[C@H](C(=O)Nc1nncs1)n1c(O)nc2ccccc2c1=O 888088539 FIBPFYNGOMDDDB-LLVKDONJSA-N 377.451 1.887 0 50 GDAA CC(C)(C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 1775997189 BJHCICMAGDPMFG-KWCYVHTRSA-N 379.457 1.190 0 50 GDAA CC(=O)[C@H]1CC(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)=NN1c1ccccc1 899614982 MUZAIRHERJMBQP-WBVHZDCISA-N 383.370 1.984 0 50 GDAA COc1ccc(OC)c(CN2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)c1 1565506913 MJPFBCRSFFOTRU-SJORKVTESA-N 385.530 1.556 0 50 GDAA Cc1nc(CN2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H](O)C2)cs1 1565512219 IJLISTRBZNJYMW-GJZGRUSLSA-N 375.450 1.545 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1NS(=O)(=O)N(C)C 1565527856 KRNQCTPLNVNMTK-MNOVXSKESA-N 379.935 1.894 0 50 GDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(N(C)C)nc1 1319122928 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Cc1noc(C)c1CN1C[C@H]2CN(C3CSCCSC3)C[C@]2(CO)C1 1772711578 ZZLRBNCYWZZQHN-YJBOKZPZSA-N 383.583 1.866 0 50 GDAA O=C(c1ccc(Cl)o1)N1C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@]2(CO)C1 1772703783 DRJUXDYRUPUVNH-UGSOOPFHSA-N 382.844 1.253 0 50 GDAA Cc1c(C(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)cnn1-c1ccccn1 1772705211 RGQPPVFPPKHRAB-INIZCTEOSA-N 383.452 1.287 0 50 GDAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccn2)CC1)[C@H]1CCOC1 11934387 JLGMWWHZDQDUFH-HNNXBMFYSA-N 383.452 1.659 0 50 GDAA CCN(C(=O)CN1C=C(C(=O)OC)C(C)=NS1(=O)=O)c1cccc(C)c1 169771848 CJBHIACHZOFJOD-UHFFFAOYSA-N 379.438 1.426 0 50 GDAA Cc1nn2cc(CNC(=O)c3sc(N4CCOCC4)nc3C)nc2s1 1857673057 DZEJYWQHAAEFNW-UHFFFAOYSA-N 378.483 1.631 0 50 GDAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669146 OWTWPUVSRCCLIK-MEDUHNTESA-N 381.410 1.090 0 50 GDAA Cc1cc(S(=O)(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)n(C)n1 1857669163 MYVDHTIXNQPPRQ-UHFFFAOYSA-N 385.493 1.919 0 50 GDAA Cc1ncn(C)c1C(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 1857677324 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CCOc1ccc([C@H](O)C2CCN(CC3(O)CCS(=O)(=O)CC3)CC2)cc1 812861658 CPPKXCQFIXRZLO-IBGZPJMESA-N 397.537 1.770 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)NCCc2noc(C)n2)CC[C@H]1Nc1ncc(F)cn1 2100543140 MTVJBUJJNNCMCV-IACUBPJLSA-N 378.408 1.262 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCn2ccnn2)C[C@H]1NC1CCOCC1 2100557046 XEQHPSHIOJPWEH-CGTJXYLNSA-N 379.505 1.127 0 50 GDAA CN1CCc2[nH]c3ccc(C(=O)N[C@H]4CC(=O)N(c5cnn(C)c5)C4)cc3c2C1 2325774483 MEKOIEKRAMOGDJ-AWEZNQCLSA-N 392.463 1.425 0 50 GDAA CC(C)(C)OC/C=C/C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 2325790192 XFJALEAEOYUTBJ-SNAWJCMRSA-N 389.500 1.333 0 50 GDAA O=C(CCc1nc2ccccc2n1-c1ccccc1)N1C[C@@H](CO)O[C@H](CO)C1 2325808384 WDJRDVUTQJFDPN-ROUUACIJSA-N 395.459 1.539 0 50 GDAA Cc1ccnn1CC(=O)N[C@@H]1CC2(CN(C(=O)C3CC(C)(C)C3)C2)n2ccnc21 2332237622 FAMHAGACIFJQMD-MRXNPFEDSA-N 396.495 1.623 0 50 GDAA C[C@@H](C(=O)N[C@H]1CC2(CN(C(=O)Cc3ccon3)C2)n2ccnc21)C(C)(F)F 2332237770 KTNRWDCFAHOBAW-AAEUAGOBSA-N 393.394 1.504 0 50 GDAA CC(=O)[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 796272 MQJPEFMSJIKUGB-ZDUSSCGKSA-N 386.477 1.860 0 50 GDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cn[nH]c2)C[C@H]1NC1CCOCC1 2356164868 JYNLYKIDJUTWGU-QXAKKESOSA-N 378.517 1.801 0 50 GDAA CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 3612706 FMIQMDALPLNJHH-UHFFFAOYSA-N 375.450 1.743 0 50 GDAA CC(C)OCCCN1C(=O)C[C@H](Nc2ccc(N3CCOCC3)cc2)C1=O 4317776 KURQLZUBLSJMCD-SFHVURJKSA-N 375.469 1.878 0 50 GDAA C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)CN1CCCC1 55539557 VHCKPEOFLOOGLW-CVEARBPZSA-N 399.582 1.997 0 50 GDAA Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 116944677 OQONHHDFEKBVGW-SFHVURJKSA-N 394.541 1.293 0 50 GDAA CCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 20046440 PHEBHOYBSRZRHW-UHFFFAOYSA-N 379.526 1.393 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1 1506402881 KVRLFVYIQWNVPI-UHFFFAOYSA-N 375.450 1.114 0 50 GDAA CC[C@H]1CCCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 253430705 RYTUEQXFFVUFAS-HNNXBMFYSA-N 394.493 1.894 0 50 GDAA CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1=O 332761251 SBBAFPLRVNUCIR-SJORKVTESA-N 386.496 1.529 0 50 GDAA Cc1cccnc1CN1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 72453433 BXKGNYGKULKSPB-LJQANCHMSA-N 377.452 1.310 0 50 GDAA O=S(=O)(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1c(F)cccc1F 285399581 IFVZLHAKMNJAJL-SNVBAGLBSA-N 380.438 1.200 0 50 GDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cnn(C[C@@H]2CCCO2)c1 363398872 PZSKVXBOJKQJEL-AWEZNQCLSA-N 375.429 1.255 0 50 GDAA COc1cccc(C(=O)NCC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1 363792789 OADZFDXGAFOZPP-ROUUACIJSA-N 375.469 1.185 0 50 GDAA Cc1cc(OC(F)F)c(C(=O)NC2[C@H]3CC(N)C[C@H]2CS(=O)(=O)C3)s1 374042911 CEWVGRGNWXOKFY-RKVXJDFWSA-N 394.465 1.538 0 50 GDAA Cc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@@H]2CCO)o1 72426071 VGTSCZONECNXHM-AWEZNQCLSA-N 379.844 1.639 0 50 GDAA O=C(Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)N1CC(O)C1 77340519 DCIBUFPNPKFSNM-UHFFFAOYSA-N 384.823 1.558 0 50 GDAA COc1nc2c(cc1CNC(=O)[C@@H]1CCCC(=O)N1)C(=O)N(C1CCCC1)C2 71765565 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Cc1cc2cc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc2o1 91551219 FFFZNESRHKQDBM-UHFFFAOYSA-N 393.465 1.076 0 50 GDAA CCc1cc(N2CCC(NCCS(C)(=O)=O)CC2)nc(N2CCCC2)n1 95504860 NSENBCVXTKNCTF-UHFFFAOYSA-N 381.546 1.242 0 50 GDAA O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1 239025559 BTQJJCMOGKDUQE-JROKTQBJSA-N 380.400 1.221 0 50 GDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 91474588 KYVVCASKAKXPFE-HXUWFJFHSA-N 385.420 1.206 0 50 GDAA CNc1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)ccn1 91858132 MGHCKIJULAOWKP-CVEARBPZSA-N 376.457 1.151 0 50 GDAA O=C(c1cc2ncccn2n1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95503664 LNMDXYRJGHGBPM-GOEBONIOSA-N 376.420 1.388 0 50 GDAA CCn1c(Cn2cccn2)nnc1C1CCN(c2nc(C(N)=O)cs2)CC1 91574731 ZCEIFTHTIUGVTB-UHFFFAOYSA-N 386.485 1.482 0 50 GDAA O=C(CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N[C@@H]1CSC[C@H]1O 252527994 DXKWYIUGTPWDFM-CWFACMBSSA-N 396.465 1.845 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)N1CCO[C@H](c2ccccc2)C1 252551850 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O=C(NCC1(Cn2cc(-c3cncnc3)nn2)CC1)[C@]1([C@H]2CCCO2)CCCO1 1875355862 CNNUSTGGANSBBK-YLJYHZDGSA-N 398.467 1.360 0 50 GDAA C=CC(=O)N1CCC(C(=O)NC2CCN(C(=O)NC)CC2)(c2ccccc2)CC1 1875379971 BDKOLESHDGIXAC-UHFFFAOYSA-N 398.507 1.653 0 50 GDAA CCOCCN1C(=O)[C@]2(CCN(C(=O)c3c[nH]c(=N)s3)C2)c2ccccc21 2100483330 LEEVSWHWJAUMOI-IBGZPJMESA-N 386.477 1.723 0 50 GDAA CCN1CCN(Cc2cc(C)cc(CN3CCO[C@H](c4nn[nH]n4)C3)c2C)CC1 2100542680 DMIWHMOXLQJXCV-FQEVSTJZSA-N 399.543 1.528 0 50 GDAA COc1cc2c(cc1OC)CCN(C(=O)[C@@H](N)COC1CCOCC1)CC2 2325790550 TZLFWBNKGFCQLR-KRWDZBQOSA-N 378.469 1.154 0 50 GDAA CO[C@H](C(=O)N(C)CCCN(C)C(=O)c1cnnn1C)c1ccc(F)cc1 2325793030 CPVBYKZPBVBPEW-INIZCTEOSA-N 377.420 1.262 0 50 GDAA C[C@@H](O)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cnn(Cc2ccc(Cl)cc2)c1 2325851859 LLWCKENZKSNRPH-YGRLFVJLSA-N 387.845 1.039 0 50 GDAA O=C(c1cccn2cnnc12)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356136979 DLKGZUIAKNWRPG-WHSLLNHNSA-N 397.479 1.630 0 50 GDAA CCn1cnnc1CCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356147075 GVNDZNKWMGCITB-ZJTDPSCFSA-N 394.479 1.289 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccnc4c3ncn4C)C1)CC2 2356156007 RMOPDFWYDQNQPV-NRFANRHFSA-N 391.479 1.945 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1=O 2356168703 BRZYBWSNJPMWPJ-OAQYLSRUSA-N 388.464 1.978 0 50 GDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)nc2c(C)cccn2c1=O 623059 BLCOMUQWJFTCCN-LBPRGKRZSA-N 376.800 1.847 0 50 GDAA COC(=O)COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC 979814 JHYYUWCIDUYHGT-YCRREMRBSA-N 385.170 1.190 0 50 GDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O[C@H](C)C(=O)O)c(OC)c1 4196357 JUQKGIKRKGDJLN-MEBBXXQBSA-N 378.381 1.738 0 50 GDAA CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Br)cc3)nnc12 10963248 RYKRMGKRHCNBNK-UHFFFAOYSA-N 389.213 1.520 0 50 GDAA CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12002035 XYUKJUPZSQTJFU-UHFFFAOYSA-N 395.481 1.713 0 50 GDAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)c1 14973899 ZLKJJNTZTKAFDW-HNNXBMFYSA-N 386.456 1.017 0 50 GDAA Cn1ncc2c1ncn1nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)nc21 17079628 OKYUTSOEULUPPR-NFAYLAGKSA-N 390.455 1.536 0 50 GDAA COc1ccc(-n2cc(-c3ccn(CC(=O)Nc4cn(C)nn4)n3)cn2)cc1 23192072 AQACDWFJNXFQSI-UHFFFAOYSA-N 378.396 1.512 0 50 GDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N=c2[nH]c3ccccc3[nH]2)n1 49550814 KBIBLRSPOSYQHU-UHFFFAOYSA-N 393.378 1.995 0 50 GDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 67459348 CJZLDYUVYHWBOM-CYBMUJFWSA-N 392.481 1.648 0 50 GDAA CCN(CC)Cc1cnc2c(C(=O)N3CCO[C@@H](C(F)(F)F)C3)cnn2c1 67842615 XIRXKVQZFDDMAF-CQSZACIVSA-N 385.390 1.974 0 50 GDAA O=C(NCCNc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71422193 FMCQPBXSILKSCD-GOSISDBHSA-N 399.539 1.723 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cc(C)no3)CC2)C1 71735761 DQYBWVALVFQYIH-HNNXBMFYSA-N 378.473 1.062 0 50 GDAA Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 71753742 NRZASGAQWQKFKG-UHFFFAOYSA-N 379.438 1.205 0 50 GDAA O=C(NCCN1CCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71775822 RATDREQBQAAOLM-OAQYLSRUSA-N 399.583 1.970 0 50 GDAA O=C(Cn1ccccc1=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2 72476173 CWZOYMMZBWQJIL-UHFFFAOYSA-N 379.460 1.890 0 50 GDAA Cc1csc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@H]24)O3)n1 77385431 DBOWRZREJOUVEZ-XPVILTJLSA-N 375.494 1.990 0 50 GDAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc3c4c(cccc14)C(=O)N3)C2 95359448 UIWDRFAQQKFUTN-NWDGAFQWSA-N 385.445 1.647 0 50 GDAA Cn1c(C(=O)N2CCC[C@H](c3nccn3CC3CCC3)C2)cc(=O)n(C)c1=O 95515145 AJVFQAIGJSQMGE-HNNXBMFYSA-N 385.468 1.100 0 50 GDAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc3c(=O)n(C)cnc3c1)C2 95529634 YBDNBWNWOFQODP-ZDUSSCGKSA-N 379.416 1.923 0 50 GDAA Cc1ccccc1Cn1nc(-c2ccc(C(N)=O)cc2)nc1CN(C)C(N)=O 96150013 AFFSQETXEPOEBX-UHFFFAOYSA-N 378.436 1.911 0 50 GDAA O=C(Cn1cccnc1=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1 97370489 GPPLWOVIVWMLJG-UHFFFAOYSA-N 376.420 1.049 0 50 GDAA O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c2ncnn2c1=O 101753408 OSOYRDLMTQXHCW-MRXNPFEDSA-N 380.452 1.245 0 50 GDAA 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QFFBGENDMIFNNP-HLIPFELVSA-N 377.485 1.963 0 50 GDAA CN(Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)N1CCOCC1)CC2 328732335 HDHIITJBOCMVMR-CQSZACIVSA-N 386.543 1.006 0 50 GDAA COC[C@@H](NC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1)C1CC1 408474806 QZQRNUOMYJPFEN-IAGOWNOFSA-N 375.473 1.585 0 50 GDAA Cc1ccc(N(CC(=O)N2Cc3nc(C)nc(O)c3C2)S(C)(=O)=O)cc1 426424200 FYUIYZQAXIQISP-UHFFFAOYSA-N 376.438 1.107 0 50 GDAA O=C(COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12)NC12CC3CC(CC(C3)C1)C2 800250779 LUUUDSRBMVFVOV-AVHCNESQSA-N 381.472 1.942 0 50 GDAA COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(C)c1=O 824134641 XPWKFOOZXDMMJO-CQSZACIVSA-N 398.415 1.944 0 50 GDAA biogenic Cc1nnnn1[C@H](C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 825297055 ODHSWRVLGBSTHO-INIZCTEOSA-N 375.396 1.067 0 50 GDAA Cc1cccc(=O)n1CCC(=O)NC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 827823040 LVHSAWJTMPZVAT-INIZCTEOSA-N 394.479 1.851 0 50 GDAA O=C(CNCc1cc2cccnc2n1S(=O)(=O)c1ccccc1)NC1CC1 864097233 NLFDFTMYLYBSEI-UHFFFAOYSA-N 384.461 1.642 0 50 GDAA CC1(C)CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC[S@@]1=O 867359345 RLRLYKFKKGKOQP-XZOQPEGZSA-N 396.531 1.760 0 50 GDAA Cc1nnsc1CN1CC[C@@]2(CC(=O)NN2C(=O)c2cccc(F)c2)C1 888103733 WJTQUURICIAZTG-QGZVFWFLSA-N 375.429 1.507 0 50 GDAA O=C(NCC1CCN(c2ncnc3[nH]cnc23)CC1)[C@@H]1COc2ccccc2O1 952985150 CZTYCKOVGMKHKX-INIZCTEOSA-N 394.435 1.526 0 50 GDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)C1 1506402814 MBRFTLYMLRFAPD-AWEZNQCLSA-N 387.527 1.109 0 50 GDAA CN(C)c1nc(N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc(C(F)(F)F)n1 1704299016 LRWHIXVXUXAWDI-WBMJQRKESA-N 387.406 1.937 0 50 GDAA CCOCCN(C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 1704335979 RLQDPMCPBIIBMB-MOPGFXCFSA-N 376.453 1.621 0 50 GDAA CCn1ncnc1CN1C[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@]2(CO)C1 1772805222 JYJZNNPSMAUTQA-LAUBAEHRSA-N 380.496 1.706 0 50 GDAA O=C(N[C@H]1CC[C@@H](NS(=O)(=O)C2CC2)C1)c1cc2c(nc1O)CCCC2 1857674221 YLZTTYBVRUGTKQ-QWHCGFSZSA-N 379.482 1.399 0 50 GDAA Cc1ccc(-c2nnc3n2C[C@]2(CCN(C(=O)c4ccc(O)nc4)C2)OC3)o1 1857685695 PRUMUTRZJMDIAY-LJQANCHMSA-N 381.392 1.762 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3[nH]cnc3C)CC(=O)N2[C@H]1c1ccccc1 1857731856 RKFSJFNJWVGSNP-FTRWYGJKSA-N 396.447 1.234 0 50 GDAA CC(C)OCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857736315 JHUGNCUMSOOSSX-FPOVZHCZSA-N 376.497 1.837 0 50 GDAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccc(C)nc4)[C@H]4CC[C@]3(C2)O4)n1 1857740298 MHVJDFDWCKADEU-BIZBXSGISA-N 395.463 1.602 0 50 GDAA COc1ccccc1[C@@H](CNC(=O)C1(C2(O)CNC2)CCC1)N1CCCCC1 1875287337 FTERUOAEXAUCIH-GOSISDBHSA-N 387.524 1.843 0 50 GDAA O=C(N[C@H]1Cc2ccccc2NC1=O)[C@H]1CC(=O)N(Cc2c(F)cccc2F)C1 1875310718 ZPLWCGBFTHJUCI-UGSOOPFHSA-N 399.397 1.993 0 50 GDAA COCCn1nc2c(c1C(=O)NCCNc1cc(C)nn1C)C[C@H](C)O[C@@H]2C 1875315948 ONDQOHYELWUPTF-UONOGXRCSA-N 390.488 1.436 0 50 GDAA C[C@H](O)CNS(=O)(=O)C[C@]12CCC[C@H]1N(C(=O)OCc1ccccc1)CC2 1875339904 CHWNHLVCIILVFK-KVSKMBFKSA-N 396.509 1.868 0 50 GDAA CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1875362673 OPJNJZHJSSOHJJ-OWCLPIDISA-N 375.874 1.367 0 50 GDAA O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ncoc2[C@H]2[C@H]3CN[C@H]2C3)CC1 1875393380 LXEYHCBFDSYCQO-KBMXLJTQSA-N 384.411 1.487 0 50 GDAA Cc1nc(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)c2n1CCN(C)C2 1875394835 YKSPREQLSLBKGT-CYBMUJFWSA-N 382.530 1.024 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnn4ccccc34)C2)c1C 1875397423 ZINMGYQXBDLJMW-QGZVFWFLSA-N 393.495 1.811 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](Cc2ccc(F)cc2F)C2CC2)ncn1 1875399434 CDHAILVFVIVGLH-NUJGCVRESA-N 389.450 1.888 0 50 GDAA CN(CCO)C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 1940193642 XEDMUIZZTVCEFB-XUVXKRRUSA-N 384.476 1.479 0 50 GDAA CN(CCN1CCCC1=O)C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1F 2325760207 IUFQEAHCECLUQQ-UHFFFAOYSA-N 390.242 1.830 0 50 GDAA O=C(OC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 2325780781 ORPAQLABYIBKFQ-NDVGNUNBSA-N 389.429 1.574 0 50 GDAA C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnn3ccccc23)C1 2325794090 PWWGXTOUYQZKLS-QAPCUYQASA-N 394.479 1.538 0 50 GDAA C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnn2ccc(CN)cc12 2325796199 ZVPFPWWKWMSMQZ-VIFPVBQESA-N 379.346 1.620 0 50 GDAA C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)c1nccs1 2325896274 VKTGATKUIJNWIA-QMTHXVAHSA-N 398.444 1.395 0 50 GDAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3nnc(-c4cccn4C)n3c1)C2 2356165240 ZHJJXTZIGXNSRE-DOTOQJQBSA-N 392.463 1.818 0 50 GDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cnn(-c3ccccc3OC)c2)CC[C@@H]1O 2356156571 INAQSGVEHYPXIJ-FXAWDEMLSA-N 387.436 1.959 0 50 GDAA Cc1nn(CC(=O)O)c(C)c1NS(=O)(=O)c1ccc2c(c1)OCCN2C 55252444 NMAGBUKOJNVOQU-UHFFFAOYSA-N 380.426 1.214 0 50 GDAA COc1ccc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)cc1C 20453750 PFGCLTJEOMUNGP-NRFANRHFSA-N 389.540 1.883 0 50 GDAA CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 26463391 NXGXFAKJUWEFEC-PYXMZCFHSA-N 399.443 1.908 0 50 GDAA in-vitro O=C(CCNC(=O)c1ccccc1F)NCCc1nc(-c2ccccn2)no1 55211429 IEQCPSIWPPSTFN-UHFFFAOYSA-N 383.383 1.750 0 50 GDAA CN(C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCOC1 55341914 RLZODIRPOJJDOS-OAHLLOKOSA-N 388.443 1.997 0 50 GDAA CCn1c([C@@H]2CCCN(c3ccc(Cl)nn3)C2)nn(CCN(C)C)c1=O 67725813 RSBYMZUBVJSWBO-CYBMUJFWSA-N 379.896 1.454 0 50 GDAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCC(=O)NC1=O 316368947 REXIRAOQRYWNQU-XVKPBYJWSA-N 389.633 1.791 0 50 GDAA O=C(Cn1nc(N2CCSCC2)ccc1=O)N1CCN(c2ccccc2)CC1 67640855 UNTMUQJIFJFJTP-UHFFFAOYSA-N 399.520 1.145 0 50 GDAA COc1cccc([C@@H](C)C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 328634223 TUPAZDNKWUTDRT-CXAGYDPISA-N 377.466 1.531 0 50 GDAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CC1 328969264 UKTXWEGEDWSGHQ-NVXWUHKLSA-N 398.529 1.426 0 50 GDAA CN1CCN(S(=O)(=O)c2cccc3c2OCC3)C[C@H]1c1nc(C2CC2)no1 333764960 DHCZFLLAUXQTHS-AWEZNQCLSA-N 390.465 1.559 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)Nc1ccccc1F)NCCc1ncc[nH]1 72421642 IEUPGFFALGPFOY-ZDUSSCGKSA-N 375.404 1.531 0 50 GDAA Cc1ccc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cc1N1CCNC1=O 214979912 GFCQRHRFQOJDMI-UHFFFAOYSA-N 391.435 1.836 0 50 GDAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 217993200 GXPQDZBVMJKWOE-NSHDSACASA-N 375.333 1.260 0 50 GDAA biogenic Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cnn1-c1ccc(O)nn1 491856129 YKVIOERSCSGQIR-UHFFFAOYSA-N 378.392 1.821 0 50 GDAA C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)O 262522592 QZLHNAXLRMPHEB-HUBLWGQQSA-N 396.490 1.993 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CC=C(c3ccnn3C)CC2)cc1C(=O)O 285301393 DFPFIVYTOAMXPD-UHFFFAOYSA-N 391.449 1.995 0 50 GDAA O=C(NC1CCOCC1)c1cccc(S(=O)(=O)NCc2ccccn2)c1 215885513 MDMZVPGFPYUMLW-UHFFFAOYSA-N 375.450 1.469 0 50 GDAA O=C(NCc1cnn(Cc2ccccc2)c1)N1CCN(C2CCOCC2)CC1 177408001 XMRCUHQAWFRKGQ-UHFFFAOYSA-N 383.496 1.938 0 50 GDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@](O)(CO)C3)csc2C1 426581320 RYIGBYWHNHQQKH-LJQANCHMSA-N 391.493 1.481 0 50 GDAA CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)cc1 95531159 OQEZEANIYQVLNF-MRXNPFEDSA-N 384.436 1.356 0 50 GDAA CN(C)C[C@H](O)COc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 95528710 UVYDWNRWFLVZLQ-SFHVURJKSA-N 377.485 1.405 0 50 GDAA O=C(c1ccc(-n2cnnc2)nc1)N1CCC2(CC1)c1ccccc1C[C@H]2O 97259174 YEYLJTQDEZNPBJ-GOSISDBHSA-N 375.432 1.753 0 50 GDAA CC(C)NC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CN2CCCCCC2)c1 95369141 BCQJHBHZLVLBSW-QGZVFWFLSA-N 397.541 1.340 0 50 GDAA Cc1nc(CCC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 95376228 UMCXZZMXIULPHZ-IOMROCGXSA-N 381.480 1.840 0 50 GDAA COc1cc(CN2CCNC(=O)CC2)ccc1OC[C@H](O)CN(C)C(C)C 95506236 HRNXBUBKWZALEA-QGZVFWFLSA-N 379.501 1.097 0 50 GDAA COCc1noc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 91526658 PHEKMBSFLWFSAB-OAHLLOKOSA-N 378.473 1.600 0 50 GDAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 95390316 XIYYXZZBUWYNBP-LSDHHAIUSA-N 375.494 1.901 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@@H](C)n3cc(C)cn3)CC2)CC1 95522851 WCENOPFSRSGGDJ-GOSISDBHSA-N 389.544 1.935 0 50 GDAA CCCCn1c(O)nc(=O)c2c1nc(Cn1c(-c3ccccc3)noc1=O)n2C 299429368 BUQPADPWWWJORN-UHFFFAOYSA-N 396.407 1.501 0 50 GDAA NC(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)nn1-c1ccccc1 299747711 DUBJLJRJCPQXAS-MJEQTWJJSA-N 382.420 1.829 0 50 GDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 299752391 TZJCJJFGLILFCW-MCIONIFRSA-N 377.441 1.485 0 50 GDAA CC(C)NC(=O)[C@H]1CC[C@@H](NC(=O)c2ccccc2N2CCOCC2)[C@H](O)C1 1940195823 OTNMXXUDADMFQD-KVSKMBFKSA-N 389.496 1.307 0 50 GDAA COc1ccc(CC(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)cc1 299763325 ZDPIKXXQTKGKAE-QZTJIDSGSA-N 375.494 1.754 0 50 GDAA O=c1c2cnn(CCOc3ccccc3)c2ncn1C[C@@H](O)C[C@H]1CCCO1 1875291075 NDVHYIHIKWGYEF-DOTOQJQBSA-N 384.436 1.602 0 50 GDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccnn3CC(C)C)C2)n1 1875397258 SLCONHYLACVCNG-MRXNPFEDSA-N 385.516 1.674 0 50 GDAA O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@]1(CO)CCCO1)c1ccccc1 1875329353 RNNRLOOSJQICIW-KNQAVFIVSA-N 382.460 1.685 0 50 GDAA CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)Cc3c(C)[nH]c4ccccc34)C2)cc[nH]1 1875401109 FWJBYZVFKQLITN-MSOLQXFVSA-N 394.479 1.292 0 50 GDAA Cc1cc(C(=O)NCC2CCN(CC(=O)Nc3cn(C)nc3C)CC2)nc(C)n1 952991123 OZXVONIATDJKQK-UHFFFAOYSA-N 399.499 1.216 0 50 GDAA CNC(=O)c1cc2n(n1)CC1(CCN(Cc3cnn(C4CCC4)c3)CC1)OC2 1775961901 HNGOWMFPQVDQNC-UHFFFAOYSA-N 384.484 1.729 0 50 GDAA CC(C)[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1NS(=O)(=O)N(C)C 1565528517 OVHYGBAOSMRCOD-MSOLQXFVSA-N 387.521 1.947 0 50 GDAA CCC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)c2c(C)nn(C)c2C)c1 275139797 WPGDEYFMNZXFFV-MRXNPFEDSA-N 379.438 1.734 0 50 GDAA CNC(=O)NC1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 412843457 FLPAJIFKRRHXAQ-AWEZNQCLSA-N 382.258 1.673 0 50 GDAA CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@H](c3ccn[nH]3)C2)cc1 193990589 XSFNETRJZDTKHN-HNNXBMFYSA-N 378.498 1.918 0 50 GDAA Cc1nonc1CC(=O)N1CCCN(C(=O)Cc2cccc(Cl)c2)CC1 1529158362 AQGOQVWZBRJNGT-UHFFFAOYSA-N 376.844 1.878 0 50 GDAA CN(C)CC1(CO)CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1 1772709533 HYQSOMWRXMLFGW-UHFFFAOYSA-N 390.889 1.363 0 50 GDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCNC(C)=O 11709800 NXESSXPCIBUFKJ-HXUWFJFHSA-N 396.576 1.184 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)NC(=O)N[C@@]1(O)C(F)(F)F 11859195 NIJSHWGTKMTGBK-RWSFTLGLSA-N 392.330 1.488 0 50 GDAA Cc1cc(C)nc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)n1 11934846 PDIGFVQZRDLKRU-LJQANCHMSA-N 386.496 1.455 0 50 GDAA CO[C@H]1CN(CCCN2CCCC2=O)C(=O)CN(C(=O)c2cccs2)C1 14530966 SAHMZJTWEOCOKP-AWEZNQCLSA-N 379.482 1.060 0 50 GDAA Cc1nn(C)cc1CNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 14953088 VQHWFFRHCGLBAG-LJQANCHMSA-N 378.423 1.650 0 50 GDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ccc[nH]1)CCCC(=O)NCCO2 1857673390 RJTRPNIQFRTLBL-UHFFFAOYSA-N 398.463 1.484 0 50 GDAA Cn1c(=O)c(-c2nccn2CCCN2CCC[C@H](C(N)=O)C2)cc2ccccc21 1857685312 RDARCYFTZRKLPR-KRWDZBQOSA-N 393.491 1.989 0 50 GDAA Cc1ccsc1-c1nnc2n1C[C@@]1(CCN(C(=O)c3cnccn3)C1)OC2 1857702289 HKDZXGWRRVHYKQ-SFHVURJKSA-N 382.449 1.920 0 50 GDAA Cn1cnc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)c1 1857712797 HTFCYYFKBXRFHR-PMACEKPBSA-N 384.480 1.459 0 50 GDAA O=C(CCc1cn[nH]c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857718846 VZOQXUFJLAAXQK-ICSRJNTNSA-N 385.468 1.038 0 50 GDAA CCCc1nnc(N2C[C@@H](C(=O)N(C)CCc3noc(C)n3)CC2=O)s1 1857732105 BWEGPYFBIOUPLK-NSHDSACASA-N 378.458 1.236 0 50 GDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnc(C)nc3)CC(=O)N2[C@H]1c1ccccc1 1857736551 MHAJALCMSKWTBB-LNLFQRSKSA-N 394.431 1.372 0 50 GDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCc2cnc[nH]2)CC[C@H]1O)c1cc2ccccc2[nH]1 1875250247 IJJRCXZOBNIBDJ-POZUXBRTSA-N 395.463 1.509 0 50 GDAA O=C(N[C@H]1CCN(C(=O)c2cc3ccccc3cn2)C[C@@H]1O)c1ccncc1 216870736 RMWZPWIYCFFYET-HKUYNNGSSA-N 376.416 1.635 0 50 GDAA CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)CC1 4867450 SDTXVLDMCFRWBG-HNNXBMFYSA-N 391.424 1.110 0 50 GDAA O=C(Cc1cccc(Cl)c1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 333303290 QKDSGCFIXBIHLM-DLBZAZTESA-N 376.888 1.629 0 50 GDAA COc1ccc(CNCCC(C)C)c(OC[C@H](O)CN2CCN(C)CC2)c1 20780906 FKAOCWRHHXETQS-LJQANCHMSA-N 379.545 1.818 0 50 GDAA O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 262400893 UVFOFNNTACCUOD-LBPRGKRZSA-N 397.225 1.640 0 50 GDAA 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GGNIFJIGGABFTO-SJORKVTESA-N 378.494 1.305 0 50 GDAA CS[C@@H]1CN(CC(=O)/N=c2\cc[nH]n2Cc2cccc(C)c2)C[C@@H]1N(C)C 222021441 GQVULCIDCBFMRD-VOYMHADPSA-N 387.553 1.578 0 50 GDAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2c(Cl)nc3ccccn23)cn1 189197622 MIMLLIFIBIWNLT-WCQYABFASA-N 381.845 1.530 0 50 GDAA Cc1cc(S(=O)(=O)N2CCN(C[C@H](O)CC(F)(F)F)CC2)c(C)s1 189365056 WNLDWMWECWKFFS-GFCCVEGCSA-N 386.461 1.985 0 50 GDAA O=C(N=c1cc[nH]cc1I)NC[C@H](O)c1ccccc1 779347162 IEFSDGGOJZQGCH-ZDUSSCGKSA-N 383.189 1.963 0 50 GDAA Cn1nccc1C(=O)N1CCCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1 1529194705 BWZLDLCUMAUJEW-INIZCTEOSA-N 376.844 1.482 0 50 GDAA Cc1c(NC(=O)CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cnn1C 1704308853 MVEUSSNCRWSYPU-FXAWDEMLSA-N 386.452 1.047 0 50 GDAA COc1cc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)cc(OC)c1OC 1775981021 GLIWEZZSRIJPGT-CYBMUJFWSA-N 379.409 1.666 0 50 GDAA COc1ccc(C(=O)[C@@H](NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)cc1 1776111531 CWNNRKVJDFZUKH-QGZVFWFLSA-N 398.419 1.547 0 50 GDAA O=C(NCc1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2)C1CC1 11839235 JZOFFMIXOGMWEG-FPYGCLRLSA-N 383.427 1.542 0 50 GDAA Cc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)cn1 11945542 GLVCNGJKBPQBJK-HXUWFJFHSA-N 395.507 1.930 0 50 GDAA O=C1[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C(=O)[C@@H]2CCCN12 14537271 RCMSVIRPPDVWQK-ZWKOTPCHSA-N 399.882 1.543 0 50 GDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C 15935048 ANSWCJCOUKGXFN-INIZCTEOSA-N 396.509 1.653 0 50 GDAA O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 19789903 RHNYECPXRWZSJG-GOSISDBHSA-N 385.508 1.753 0 50 GDAA COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 19821030 FZBHKVSQPFWGAK-PBHICJAKSA-N 387.523 1.429 0 50 GDAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C2=C1C(=O)OC2 169758177 NRANONYCJNSIPZ-KRWDZBQOSA-N 387.436 1.877 0 50 GDAA COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C 1857727348 OYKAMPGWWCEWKG-APWZRJJASA-N 394.493 1.732 0 50 GDAA O=C1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)N1 1857711238 PGYVLDVESPSURH-VVLHAWIVSA-N 377.872 1.639 0 50 GDAA O=C(c1ccc2nnnn2c1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857667488 LIESAEXYORBNTL-LJQANCHMSA-N 378.392 1.014 0 50 GDAA CNC(=O)C[C@@H]1CCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857730111 JTVZHJBGGRJHPF-AWEZNQCLSA-N 385.468 1.732 0 50 GDAA O=C1C[C@@]2(CCCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4Cl)C3)C2)CN1 408252087 LUDHQIKRNYJBRY-DJJJIMSYSA-N 390.871 1.757 0 50 GDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)N=C(O)CO4)CCO2)cn1 328639291 WWKLJFDWLNVXCW-INIZCTEOSA-N 392.437 1.646 0 50 GDAA COc1ccc(Cn2ncc3cc(C(=O)N4CCCNCC4)cnc32)c(OC)c1 237561861 ZFMMEMGSJMXUDC-UHFFFAOYSA-N 395.463 1.932 0 50 GDAA CCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C1CC1 252488498 ITFILYNQBWFZBN-UHFFFAOYSA-N 381.483 1.554 0 50 GDAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CCOc2ccccc2C1 20821102 JPFFMVBERNWFRG-IBGZPJMESA-N 397.450 1.937 0 50 GDAA COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 262483602 WFVXKDLXAAMJLI-SECBINFHSA-N 378.244 1.943 0 50 GDAA Cc1cc(C)c2c(=NC(=O)CN3CCN(c4ncccn4)CC3)[nH]sc2n1 2100542807 GJYAYSDJEFLALY-UHFFFAOYSA-N 383.481 1.281 0 50 GDAA Cn1nnnc1[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 2100555112 MGHGYXSNFIRLNY-KRWDZBQOSA-N 376.424 1.493 0 50 GDAA Cc1cccc2c1OCC[C@@H]2NC(=O)NC1CCC(NS(C)(=O)=O)CC1 2325737975 QMNJLHRYOOUKJL-XUJLQICISA-N 381.498 1.978 0 50 GDAA Nc1ccc(F)cc1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 2325745466 CERJWRSIJFHLLE-UHFFFAOYSA-N 385.442 1.743 0 50 GDAA O=C([C@@H]1CCN(Cc2ccccc2)C1)N1CCn2nc(Br)nc2C1 2325781446 PNIICAWTXJZENI-CQSZACIVSA-N 390.285 1.905 0 50 GDAA CC(C)(C(=O)N[C@H]1CC2(CN(C[C@@H]3CCCOC3)C2)n2ccnc21)c1cnc[nH]1 2332238001 UKFBTMSKNICGFS-HOTGVXAUSA-N 398.511 1.583 0 50 GDAA O=C(N[C@@H]1CC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)n2ccnc21)c1cnccn1 2332238018 VLWIIHBTHAXSNW-ARFHVFGLSA-N 392.463 1.522 0 50 GDAA C[C@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 1238424 RRZHKDLBEVQEQL-ZDUSSCGKSA-N 385.443 1.857 0 50 GDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2083422 IZAYJNCKDMBXTP-IKGGRYGDSA-N 381.432 1.673 0 50 GDAA biogenic COC(=O)c1ccc2nc(NC(=O)CSc3nc(N)cc(=O)[nH]3)sc2c1 2813525 IWFRXXYVLSMGSM-UHFFFAOYSA-N 391.434 1.479 0 50 GDAA COc1ccc(CCC(=O)N2CCC[C@@]23CCCN(CCO)C3=O)cc1OC 2356169139 MDVBQCRJRIITKL-OAQYLSRUSA-N 390.480 1.612 0 50 GDAA COCCn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)CC1CC1 55108779 SRXJIUHKTDEWLW-KRWDZBQOSA-N 385.530 1.714 0 50 GDAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1c(-c2ccc(OC)cc2)nc2ccccn12 67432125 SDAHFJXAMSZZNY-WBVHZDCISA-N 379.464 1.658 0 50 GDAA CC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 20638914 CEFWQNHGIGWACE-UHFFFAOYSA-N 392.415 1.228 0 50 GDAA CCc1noc2ncc(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)cc12 328636478 VMMPTIBBHKTTRX-GFCCVEGCSA-N 375.454 1.865 0 50 GDAA O=c1oc(=O)c2c(Br)c3c(=O)oc(=O)c3c(Br)c12 5567037 OYIHYCLAXDDYFC-UHFFFAOYSA-N 375.912 1.020 0 50 GDAA in-vitro C[C@@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)O)C(=O)O2)n1ccnc1 77287647 KQPBHEPZUZJILP-AWEZNQCLSA-N 378.429 1.512 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 152249079 YOSPYPRDVZPMAW-SFHVURJKSA-N 386.496 1.687 0 50 GDAA COC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccnc2)nc2c1cnn2C 72161430 BPISOBPZJIQUQR-AWEZNQCLSA-N 378.396 1.345 0 50 GDAA CN1C(=O)CC[C@@H](NC(=O)Nc2ccc(-n3ccnn3)cc2)[C@@H]1c1ccnn1C 284639192 OMXMAWKGOAPUSX-CRAIPNDOSA-N 394.439 1.484 0 50 GDAA COCCCN(CCOC)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C 366615305 FOATZVZGGWWYRD-QFBILLFUSA-N 392.500 1.374 0 50 GDAA Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 72446717 TYRMJNQCDSAVDV-SJORKVTESA-N 397.541 1.705 0 50 GDAA O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCNC[C@H]1c1cccc(F)c1 261899506 GJNQWHVNYBYMKN-SFHVURJKSA-N 396.422 1.392 0 50 GDAA Cc1ccc2cccc(OCCNC(=O)c3cn(C[C@@H]4CCCNC4)nn3)c2n1 216438425 FUCSPWFTSXMXEF-MRXNPFEDSA-N 394.479 1.943 0 50 GDAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38528095 IRAIRTCGDVUFSP-UHFFFAOYSA-N 382.468 1.976 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1O)c1ccccn1 77378674 ZGSQSDKPXSFLPB-UYAOXDASSA-N 377.448 1.633 0 50 GDAA COc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1N1CCNC1=O 460973359 MESLWAHMXQJVCU-UHFFFAOYSA-N 379.380 1.657 0 50 GDAA O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC[C@@H](O)C3)cc2)[nH]1 48135024 PSVMGSDNUGEVIC-LJQANCHMSA-N 379.464 1.833 0 50 GDAA COc1ccc(OC)c(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)c1 82109267 FUECGPBGKBYFBA-QGZVFWFLSA-N 376.453 1.991 0 50 GDAA CC(=O)NCCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426382579 ABGLFSOSKUNPPN-UHFFFAOYSA-N 376.482 1.777 0 50 GDAA CS(=O)(=O)N1CCCN(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 426489390 QZCOBOUUTZJFHZ-UHFFFAOYSA-N 377.869 1.775 0 50 GDAA C[C@@H]1CN(C(=O)c2ccc(Cn3cnnn3)cc2)CC[C@@]1(O)C1CCOCC1 91664865 QPYFLNVZENGRMW-QRWLVFNGSA-N 385.468 1.361 0 50 GDAA Cn1c(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)nc2ccccc21 95368788 RCZNSEYLUMVKBL-OAHLLOKOSA-N 377.448 1.676 0 50 GDAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCN(CCS(C)(=O)=O)CC1 97259294 PIRNVUQMQAGHPZ-UHFFFAOYSA-N 376.482 1.188 0 50 GDAA Cc1cnc(C(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)cn1 96151433 BMYCTAYXNIJNJH-UHFFFAOYSA-N 380.456 1.487 0 50 GDAA Cc1cc(C)n(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)c(=O)n1 1940195452 DTOKEJDSZMPVBA-XLIONFOSSA-N 392.459 1.782 0 50 GDAA Cc1cncc(C(=O)N2CCC3(CC2)CN([C@H]2CCNC(=O)CC2)CCO3)c1 828305675 VTYYFKGEKDYTCQ-GOSISDBHSA-N 386.496 1.366 0 50 GDAA COc1ccccc1OCC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 824828057 GULGKCFQHGMBID-JNKARSBBSA-N 383.452 1.925 0 50 GDAA Cc1nnnn1[C@H](C(=O)NCCc1nc(-c2ccccn2)no1)c1ccccc1 670426616 NUMGPCNRQLMRJK-KRWDZBQOSA-N 390.407 1.375 0 50 GDAA C[C@@H]1COC[C@@](CO)(CN[C@H]2CCCc3ncc(Br)cc32)N1C 1875399279 UWISHDWHJYUQES-DQYPLSBCSA-N 384.318 1.893 0 50 GDAA CS(=O)(=O)[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2ccncc2F)C[C@@H]1C(F)(F)F 1875404290 CZDHHIKZRNDAFE-HEQLZXTPSA-N 380.363 1.806 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21 952971049 REGALXONIPCAHS-CYBMUJFWSA-N 382.511 1.523 0 50 GDAA COCCc1noc([C@H]2CCCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 952982696 ZXLHSYBSIBEKRX-CQSZACIVSA-N 386.408 1.920 0 50 GDAA Nc1nc2c(c(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)n1)CCCC2 952976758 ONCLZKNQAFXYDO-KRWDZBQOSA-N 382.468 1.136 0 50 GDAA O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 186124055 GYUBUBYDUNGLLY-LBPRGKRZSA-N 375.853 1.064 0 50 GDAA CCS(=O)(=O)N1CC(CNC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)C1 170603229 KKSPGNJBZBPRCX-KRWDZBQOSA-N 395.525 1.147 0 50 GDAA C[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)N1 408519299 PIVPMVQLPYBFDI-OKILXGFUSA-N 382.482 1.221 0 50 GDAA CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ncccc2S(C)(=O)=O)CC1 225611092 MXYILLZSTWNLLA-UHFFFAOYSA-N 397.497 1.748 0 50 GDAA O=C(CN1CCN([C@@H]2CCc3ccccc3NC2=O)CC1)NCc1ccccc1 191863726 BCHIRGJWOYSYCZ-OAQYLSRUSA-N 392.503 1.874 0 50 GDAA Cc1cccc(CN2CC[C@@]3(CO)CCCN(C(=O)C4=NNC(=O)CC4)[C@@H]3C2)c1 1704311853 UJCSIYAAAJKMGU-DENIHFKCSA-N 398.507 1.436 0 50 GDAA O=C1CCCc2cn(nn2)CCCOc2cccnc2C(=O)NCCCCN1 1704326427 DFPAIIFFOBYBQA-UHFFFAOYSA-N 386.456 1.105 0 50 GDAA CN1CC2(CCN(c3ncccc3C(=O)N3C[C@H]4CC[C@@H]3C4)CC2)OCC1=O 1775978871 WUZQYKCULLOCLN-JKSUJKDBSA-N 384.480 1.534 0 50 GDAA CCN(C)S(=O)(=O)N1CCCN(C(=O)COc2cccc(C)c2C)CC1 1775981060 NIRMEHNRDPNQRW-UHFFFAOYSA-N 383.514 1.413 0 50 GDAA CN(C)CC1(CO)CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1772712345 PRPLVEMIOHPPFA-UHFFFAOYSA-N 396.431 1.910 0 50 GDAA O=C(Cc1c(F)cccc1Cl)N1CCCN(C(=O)CN2CCOC2=O)CC1 1772712674 YPQHPGMGJUPVKR-UHFFFAOYSA-N 397.834 1.535 0 50 GDAA COCC(=O)Nc1cc(C(=O)N[C@H]2CCOC2)c2c(c1)nc(C1CCC1)n2C 11911548 IBJCIEHBNUCLTN-ZDUSSCGKSA-N 386.452 1.944 0 50 GDAA O=C(Cc1ccccn1)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12387770 ZLGJMQYYYSRPNB-GOSISDBHSA-N 381.480 1.817 0 50 GDAA CCc1n[nH]c(CC)c1CC(=O)N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531599 PYOVOIWAYCHHIB-NVGVWMPQSA-N 379.892 1.883 0 50 GDAA CN=c1ncc(C(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)c[nH]1 1857694085 ABHBFNGCDZAIIQ-UHFFFAOYSA-N 388.449 1.404 0 50 GDAA Cn1cc(C(=O)N2CCO[C@]3(CCN(Cc4cc(C5CC5)on4)C3)C2)ccc1=O 1857704582 YIOKPQKKRRDPDS-NRFANRHFSA-N 398.463 1.368 0 50 GDAA CC[C@H]1C[C@@H](O)CC2(CCN(c3nc(=N)[nH]c(C)c3CCC(=O)OC)CC2)O1 1857717672 SALPSDVXRWAHKY-CABCVRRESA-N 392.500 1.592 0 50 GDAA CC(C)c1nccn1[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(c1)OCO2 1857724327 VQVMTZXFJJNYAN-UONOGXRCSA-N 391.449 1.503 0 50 GDAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCCn4ccnn4)CC3=O)sc2c1 1857728863 PFRNFKRHMDOSSM-ZDUSSCGKSA-N 384.465 1.756 0 50 GDAA CCCc1nnc(N2C[C@H](C(=O)NCCCn3nc(C)nc3C)CC2=O)s1 1857735958 DUKXIWDXAMFZKT-CYBMUJFWSA-N 391.501 1.258 0 50 GDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cccc(Cn3cccn3)c1)C2 247513024 IWRVXENQXOJXHY-AEFFLSMTSA-N 388.493 1.427 0 50 GDAA O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCN(C(=O)C2CC2)C1 158605170 CLODGCSKSMHWFV-QHAWAJNXSA-N 399.535 1.634 0 50 GDAA COc1ccnc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)c1 265607790 BIYXKLDBBYMPID-UHFFFAOYSA-N 399.426 1.721 0 50 GDAA COC(=O)COc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 1446417 NGFHRVPHKWMPBJ-UHFFFAOYSA-N 381.388 1.895 0 50 GDAA O=C(N[C@H]1CNCc2nccn2C1)c1n[nH]c2cc(OC(F)(F)F)ccc12 2325786575 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O=S(=O)(Cc1ccccc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67604009 FBNXDTKJAWMRIY-UHFFFAOYSA-N 384.465 1.314 0 50 GDAA CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)C(=O)O 424485321 WZMSQZCYWDHYAB-XJKCOSOUSA-N 398.406 1.462 0 50 GDAA CC(C)n1ccc(NS(=O)(=O)c2cnn(C)c2I)n1 864097540 VTEAUENJZXMJQE-UHFFFAOYSA-N 395.226 1.603 0 50 GDAA COc1ccc(N([C@H](C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1OC 65363944 URJCQKIBJPSKMF-GFCCVEGCSA-N 379.438 1.892 0 50 GDAA CN(C)c1nc(CN2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)ns1 328627443 GEGYBPPGGXPXEW-AWEZNQCLSA-N 391.545 1.539 0 50 GDAA C[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@@H](C)N1 153505434 CNMNVIBYTGUJNV-PHIMTYICSA-N 379.258 1.368 0 50 GDAA Cc1cc(NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)on1 125608650 CLXZGBIRPLLZEH-UHFFFAOYSA-N 383.286 1.049 0 50 GDAA COc1ccccc1OCCN1CCC2(CC1)C[C@H](C(=O)O)N(C(C)=O)C2 72146720 INJJDNZVWXEHLR-MRXNPFEDSA-N 376.453 1.862 0 50 GDAA Cc1nnc(COCC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)s1 367633142 HGYWJJASCNWVST-GFCCVEGCSA-N 378.458 1.139 0 50 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379.545 1.914 0 50 GDAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(CCOC)CC1 23375336 OSIJGMIKBFXPAF-UHFFFAOYSA-N 387.528 1.970 0 50 GDAA Cc1nc([C@@H]2CCCN(Cc3c(C)nn(C)c3N3CCOCC3)C2)cc(=O)[nH]1 23431533 QPCKWBNYEJBHIM-MRXNPFEDSA-N 386.500 1.336 0 50 GDAA Cc1cccc2[nH]c(C3CCN(C(=O)[C@H]4CCCN(CC(N)=O)C4)CC3)nc12 55385372 LCZWRYUUUJDDLN-INIZCTEOSA-N 383.496 1.775 0 50 GDAA COC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 65461507 FSYFWCCWCTWHPP-OZQHCQBDSA-N 394.427 1.770 0 50 GDAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)NCCN2CCCOC2=O)cc1 67514265 CVHDAHYECCFJGC-INIZCTEOSA-N 388.424 1.282 0 50 GDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cnc2ccccc2n1 72164224 HMKFTRLZTWKZCR-LJQANCHMSA-N 381.480 1.745 0 50 GDAA CCN(Cc1noc(C2CCC2)n1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)C 72171615 NHACELUBUCAPGY-OAHLLOKOSA-N 377.489 1.532 0 50 GDAA Cc1cc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc(C)c1O 72409487 KVJPSZNFONEBCZ-DLBZAZTESA-N 378.494 1.229 0 50 GDAA 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GDAA CN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1 223701618 DTJGVGNDIUBTDY-ZDUSSCGKSA-N 376.438 1.199 0 50 GDAA Nc1nonc1-c1nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c(=S)n1-c1ccccc1 254754332 GTLRZDZARJKOFA-OSQNNJELSA-N 386.393 1.291 0 50 GDAA CN(C(=O)CNC(=O)COc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O 265168854 NCJUZOSOSTVITI-SFHVURJKSA-N 381.432 1.446 0 50 GDAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1ccco1 266047759 FJTPCQYIXXBNMF-LRDDRELGSA-N 382.420 1.353 0 50 GDAA C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cn2)C[C@@H](C)O1 299002096 KHVALXUXZQENIW-CHWSQXEVSA-N 390.465 1.595 0 50 GDAA Cc1ccc(N2C[C@H](C(=O)NCc3nc(C(=O)O)cs3)CC2=O)c(F)c1 299742313 BAWVFPLQNFKTDR-SNVBAGLBSA-N 377.397 1.958 0 50 GDAA CN1CCN(c2cc(N3CCC[C@](CO)(c4ccccc4)C3)ncn2)CC1=O 374543306 KLAMLEOHJUDHPU-NRFANRHFSA-N 381.480 1.286 0 50 GDAA COc1ccc(CCNC(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1F 378180368 VDYICLJGBAHQIO-ORAYPTAESA-N 392.431 1.397 0 50 GDAA COc1ccc(N2CCN(C(=O)NCCc3nc(C)cc(O)n3)[C@@H](C)C2=O)cc1 426669050 NPHAHQXYLZVTLQ-AWEZNQCLSA-N 399.451 1.489 0 50 GDAA NS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 799956779 VHLPZNJAYFAIBU-CQSZACIVSA-N 380.495 1.773 0 50 GDAA COc1cccc2c1OC[C@@H](NC(=O)COc1cccc(-n3cnnn3)c1)C2 824804932 WSCFIBGAZDUEDQ-AWEZNQCLSA-N 381.392 1.170 0 50 GDAA O=C(Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)[C@H]1CCS(=O)(=O)C1 1334431942 WCIIBGBZHYTVNF-ZDUSSCGKSA-N 380.853 1.923 0 50 GDAA O=C(NCCCc1ccccn1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529172357 FRZWRYVMJLVJAZ-UXHICEINSA-N 380.448 1.657 0 50 GDAA O=C(c1ccc(F)cc1F)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 1565513451 AZNZANRGMWJINW-BUXKBTBVSA-N 380.391 1.602 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl 1704298072 DVFYTFHYLALIBQ-GWCFXTLKSA-N 385.873 1.458 0 50 GDAA O=C(O)[C@H]1CN(CCCN2CCN(c3cccc(Cl)c3)CC2)CC[C@@H]1O 1704335589 BUBKIFRJUFQSOO-ROUUACIJSA-N 381.904 1.620 0 50 GDAA O=C(CO[C@H]1CCOC1)NCC1(NC(=O)CCc2cscn2)CCCCC1 1775996602 AAMZVIKZOHLYTD-INIZCTEOSA-N 395.525 1.817 0 50 GDAA CCn1ncc(S(=O)(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NC(C)C)C2)c1C 1857682943 MTYCICOXMVVXJE-YJBOKZPZSA-N 397.545 1.011 0 50 GDAA NCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)N[C@H]3C=CCCC3)sc12 1857682971 SNNIAELTKLXREP-HNNXBMFYSA-N 389.521 1.936 0 50 GDAA COCCn1nc2c(c1C(=O)NCc1cn(C)nc1OC)C[C@H](C)O[C@@H]2C 1875315831 JJXMADMGJIYXSY-NWDGAFQWSA-N 377.445 1.224 0 50 GDAA COC(=O)/C=C/C(=O)N1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 1875379086 MCIWENCJCBQDLF-KZSQQDEKSA-N 396.325 1.893 0 50 GDAA C[C@@]1(CO)CCN1C(=O)Cc1c(Cl)cccc1C(=O)N1CC[C@@]1(C)CO 1875396666 QKXJKJGOLRKYHA-OALUTQOASA-N 380.872 1.463 0 50 GDAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCc3nc(C(N)=O)cn3CC2)n1 1940198281 AOFDJIFURFRUME-UHFFFAOYSA-N 382.443 1.982 0 50 GDAA CN(C)c1cccc2[nH][nH]c(=NC(=O)C3CCN(C(=O)c4ccncc4)CC3)c12 2100539415 HRMHEZDIMUTQAD-UHFFFAOYSA-N 392.463 1.937 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCc3ccccc3C2)CC[C@@H]1NC(=O)c1cnn[nH]1 2100544986 DVDMRBVTEHCKGJ-ZVZYQTTQSA-N 383.452 1.303 0 50 GDAA O=C(NCCc1ccc(CN2CCOCC2)cc1)c1csc(-c2nn[nH]n2)c1 2325808650 QMBWHXPXWDDEQU-UHFFFAOYSA-N 398.492 1.733 0 50 GDAA NC1CCN(c2ccccc2C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1 2325856754 AFCYRPIMXZINEI-UHFFFAOYSA-N 377.452 1.724 0 50 GDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)C45CCC(CC4)C5)cc3C2=O)C(=O)N1 2325887982 HLUNRFDDSUIFDG-IVCQFSTMSA-N 381.432 1.966 0 50 GDAA CO[C@@H]1C[C@@H](C(=O)N2CCc3n[nH]cc3C2)CC[C@H]1NC1CCSCC1 2356137116 FYCKGBXAXCINJL-MORSLUCNSA-N 378.542 1.963 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(=O)nc4sccn34)C1)CC2 2356141920 WHFJRUHNQUVJRT-LJQANCHMSA-N 381.461 1.975 0 50 GDAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc12 1056531 ITFQHTZVSHQYLE-UHFFFAOYSA-N 388.401 1.766 0 50 GDAA biogenic CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1137979 XSXKBYRPJXZBCM-UHFFFAOYSA-N 394.449 1.783 0 50 GDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 11815739 VRQQSLZOVCSSRE-INIZCTEOSA-N 391.443 1.865 0 50 GDAA Cn1ccnc1CN1CCN(C(=O)c2cc(COc3ccccc3)on2)CC1 12317343 YGQIEOXJSMRGPB-UHFFFAOYSA-N 381.436 1.945 0 50 GDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC)C(C)C 12579587 XJXFYONNJDDLSU-QGZVFWFLSA-N 377.485 1.269 0 50 GDAA COc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cn1 12715697 RCKSLTRHLXNYMF-QGZVFWFLSA-N 385.468 1.096 0 50 GDAA Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)c12 13961083 IPFIWALCKIPFHI-UHFFFAOYSA-N 393.495 1.846 0 50 GDAA NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(-n3cccc3)n2)cc1 30819422 MJXXJJXTSKMZSZ-UHFFFAOYSA-N 376.463 1.440 0 50 GDAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)CC1 55368929 SBQGJPVELUCKMX-LJQANCHMSA-N 384.524 1.730 0 50 GDAA CC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55369888 ZSJLHCDILBMKRA-GOSISDBHSA-N 378.904 1.589 0 50 GDAA CCS(=O)(=O)NC[C@@H](C)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2 72431758 ZQUPWJPTJLDJIV-OAHLLOKOSA-N 375.535 1.647 0 50 GDAA CN(Cc1cnccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77485985 UCFHQGJZHLNICK-JYLXEMOASA-N 396.491 1.940 0 50 GDAA COCCN1CCN(C/C=C/c2ccc(OC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 91595620 WNOQUPYOCTVHJQ-CZHQAMEJSA-N 380.510 1.138 0 50 GDAA COCC(=O)N1CC[C@]2(O)CCN(CCCOc3ccc(F)cc3)C[C@@H]2C1 95388543 RSWNTZXEQNYCSP-OXQOHEQNSA-N 380.460 1.526 0 50 GDAA O=C1[C@H]2CC[C@H](CN(S(=O)(=O)c3ccccc3)C2)N1Cc1cscn1 95497044 QYDJQRIQCVNTNE-DZGCQCFKSA-N 377.491 1.955 0 50 GDAA CN1CCN(C[C@H](O)COc2ccc(CN3CC(c4cccnc4)C3)cc2)CC1 95508532 KUNHHPXJXNASAW-QFIPXVFZSA-N 396.535 1.668 0 50 GDAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c(O)n1 95531401 DXEQHURHSPSITE-MRXNPFEDSA-N 387.484 1.936 0 50 GDAA CSCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 96163307 GPEGWNKFVCHUCQ-UHFFFAOYSA-N 375.502 1.712 0 50 GDAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 170948736 DRWVZTWOVDWDFH-IAGOWNOFSA-N 384.419 1.360 0 50 GDAA CCN1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 181988861 NJMSUOVRDQOPTJ-CYBMUJFWSA-N 392.447 1.501 0 50 GDAA O=C1NCCN1C1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 182217377 FGCGIZHRHRAMJR-CQSZACIVSA-N 387.402 1.935 0 50 GDAA COc1cc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c2ccccc2n1 220452349 JJOBKNSVLRNMOW-SFHVURJKSA-N 382.420 1.512 0 50 GDAA CCN1C(=O)[C@@H]2[C@H](c3ccc(O)cc3)N[C@@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 249694936 PYOIWMUFIISVSV-ORGXJRBJSA-N 394.427 1.726 0 50 GDAA CCN(C)[C@H](C(=O)O[C@H](C)C(=O)NCCN1CCOCC1)c1ccccc1 252480639 CBSLBVCHFBYAIP-AEFFLSMTSA-N 377.485 1.060 0 50 GDAA COCC1(O)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 270739094 GOFRZNXHSNQVAG-INIZCTEOSA-N 378.444 1.678 0 50 GDAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2ccc3nccn3n2)CC1 299793312 IMLUFBAAWYDKMZ-GOSISDBHSA-N 376.464 1.435 0 50 GDAA Cn1nccc1[C@H]1[C@H](C(=O)Nc2n[nH]c3cc(F)ccc23)CCC(=O)N1C1CC1 328978138 CETLHASQMGMUIN-RDTXWAMCSA-N 396.426 2.516 0 50 GDAA Cc1cccc(-n2ncc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)c2C)c1 333722925 ILBDQYLQMIBLMC-QZTJIDSGSA-N 389.477 1.517 0 50 GDAA CN1C[C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1CO 426661941 CZFNKEUWCTURPS-CABCVRRESA-N 386.418 1.498 0 50 GDAA Cc1nc(CCNC(=O)N2CCCN(C(=O)c3ccoc3)CC2)nc2c1CCC2 426689840 IPRQIPDGTRLPKV-UHFFFAOYSA-N 397.479 1.967 0 50 GDAA CN1CCN(CC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1=O 444617075 KWDVELAOJJENJH-UHFFFAOYSA-N 380.448 1.329 0 50 GDAA CNC(=O)c1ccc(CS(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1 451491456 FDKFQLDYDSYLDV-YZVOILCLSA-N 396.509 1.534 0 50 GDAA Cn1nc2cccc(S(=O)(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)c2n1 670434381 TVDRNRZHIIZYEU-GFCCVEGCSA-N 377.470 1.038 0 50 GDAA COCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cnnn3)cc2)cc1OC 824313178 SQMWNWHZROHFFC-UHFFFAOYSA-N 396.407 1.567 0 50 GDAA Cc1ncnc(C)c1C(=O)N1CCC2(CC1)CN([C@H]1CCSC1)CCO2 828133658 LYLMTYVFPNPFAI-INIZCTEOSA-N 376.526 1.906 0 50 GDAA NS(=O)(=O)c1ccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cc1 828158449 OJJITEFLRHEKBS-SFHVURJKSA-N 387.505 1.943 0 50 GDAA O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@]2(c3ccccc3)[C@@H](C1)C2(F)F 888101422 URNFLRMAZZQKDA-BVIKNXMNSA-N 389.406 1.836 0 50 GDAA COc1ccnc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529151922 HKNZGMJCTPGUSC-RTBURBONSA-N 388.420 1.682 0 50 GDAA O=C(CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2)NCc1ccccc1 1565514917 WHULZCOCSNSDAR-OALUTQOASA-N 378.476 1.934 0 50 GDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2c(F)cccc2F)CC[C@H]1O 1704326051 UUJMVHNQRUZDNS-CJNGLKHVSA-N 375.393 1.591 0 50 GDAA Cc1nc(C(=O)NCc2ccc(CO)cc2)nc(N2CC[C@@H](N(C)C)C2)c1C 1857528341 KDVHUEFXPOMGBO-GOSISDBHSA-N 383.496 1.656 0 50 GDAA Cc1c(O)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(S(C)(=O)=O)CCO1 1857672972 BYLAQLUUJNFGBR-QWHZDKJVSA-N 394.493 1.498 0 50 GDAA CCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccc3nc[nH]c3c2)C1 1857688370 FZDSYEHZRCMKFL-FOIQADDNSA-N 385.468 1.637 0 50 GDAA COc1ccc(CN2CC[C@]3(C2)Cn2c(CCCO)nnc2CO3)c(F)c1 1857695174 XPRAEEQFNXALMG-IBGZPJMESA-N 376.432 1.526 0 50 GDAA Cn1cnc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(Cl)cn2)CC[C@H]3O)c1 1857696066 KYNNBEXRXRBPES-VQIMIIECSA-N 389.887 1.962 0 50 GDAA Cc1c(C(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)nc2ccccn12 1857708862 RBVIBYYLCDJRLM-NSHDSACASA-N 376.463 1.809 0 50 GDAA C[C@@H](O)C(=O)N1CCC2(CC1)OCCc1cc(OCCc3cnn(C)c3)ccc12 1857711427 ZDCVDEFDVNYVPU-MRXNPFEDSA-N 399.491 1.813 0 50 GDAA O=C1NCC2(CCN(C(=O)C[C@@H]3CCCN(c4nc5ncccc5o4)C3)CC2)O1 1857730601 XHDUNZDXRFBADJ-AWEZNQCLSA-N 399.451 1.930 0 50 GDAA c1nc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4CC[C@@H]3CCOC3)C2)c2nc[nH]c2n1 1875244045 JXSIBBIPXRWYMX-VWXURSGXSA-N 398.511 1.982 0 50 GDAA O=C(O)c1cccc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 1875257151 ZBBQFMOJQAOCFP-UHFFFAOYSA-N 393.399 1.951 0 50 GDAA O=C(CCNC(=O)C1CCC1)NC[C@@H](O)COc1ccccc1Br 1875262847 WRIJLCDEUCXBDW-CYBMUJFWSA-N 399.285 1.611 0 50 GDAA CN1CCc2c(NS(=O)(=O)c3cccc(-n4cnnn4)c3)cccc2C1=O 1875289432 QYHCALWTSHQNTR-UHFFFAOYSA-N 384.421 1.091 0 50 GDAA CO[C@@H](C(=O)O)C1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 1875305781 IBZYQVTUQIDZIW-LJQANCHMSA-N 376.453 1.416 0 50 GDAA Cc1nc(C(=O)N2CCC(C)(CO)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403880 IOXAGOUVIAEOGY-MRXNPFEDSA-N 375.517 1.468 0 50 GDAA Cc1cc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc(O)n1 2100473176 CXNKSYAGGJRXLE-FIKGOQFSSA-N 387.480 1.996 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2[nH]c(C)nc2C)cc1OC 2100539597 PJZNPJPTGSRJNP-WMZOPIPTSA-N 375.425 1.618 0 50 GDAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2n[nH]cc2C1 2356137499 NIXQUVWPYUEYFT-NVAPDCRFSA-N 377.448 1.626 0 50 GDAA C[C@H]1CN(C(=O)c2ccccc2-c2nn[nH]n2)Cc2nnc(-c3cnn(C)c3)n21 2356146090 QXEGGMWDLCOSTO-NSHDSACASA-N 390.411 1.076 0 50 GDAA CS(=O)(=O)NCc1cc(CNC(=O)c2ccc3ncsc3c2)ccn1 2356147051 FWJARGDGNBKEBL-UHFFFAOYSA-N 376.463 1.671 0 50 GDAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CCc3ncnn3C2)CC1 2356157954 UCJXKTWFLKOOTG-INIZCTEOSA-N 382.464 1.940 0 50 GDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)CCCn2cncn2)CCCCN1 2356161192 KCTRVIPYTFDUEF-SFHVURJKSA-N 390.532 1.432 0 50 GDAA C[C@H]1Cc2ccccc2N1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 106230570 VWSMAKVMGQCINU-RDJZCZTQSA-N 379.526 1.616 0 50 GDAA C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C[C@@H](C)O1 113949146 SFKMPYPBTGWYEM-HZPDHXFCSA-N 399.561 1.110 0 50 GDAA COc1ccc(C(=O)N[C@H](c2nnc(SCC(N)=O)n2C)C(C)C)cc1 8784139 SWTNXPWESDKZEK-AWEZNQCLSA-N 377.470 1.528 0 50 GDAA CCOCCn1c(=O)n([C@H](C)C(=O)N2CCCC2)c2cc(C(=O)O)cnc21 55060799 IBVBZCFNAFEXFL-GFCCVEGCSA-N 376.413 1.116 0 50 GDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)CC1 55074582 NDUJRAGQLGLWFI-DKRLNXSXSA-N 375.473 1.198 0 50 GDAA COCC1(C(=O)N2CCc3c(c(C(=O)O)nn3Cc3ccncc3)C2)CCC1 67755195 AGLUTHIROFAIKV-UHFFFAOYSA-N 384.436 1.726 0 50 GDAA C[C@@H]1Cc2cc(C(=O)N3CCn4nc(C(=O)NCCN(C)C)cc4C3)ccc2O1 65508391 SXVDSJRTUGPZNJ-CQSZACIVSA-N 397.479 1.154 0 50 GDAA CN1CCN([C@@H]2CCN(Cc3cc(CN4CCCC4)cs3)C[C@H]2O)CC1 22919230 YVGQHKBRCOQPDC-WOJBJXKFSA-N 378.586 1.527 0 50 GDAA Cc1c(C(=O)N2CC[S@](=O)C[C@@H](C)C2)nnn1CCOc1ccc(F)cc1 328660507 VMPWBGGYLGIPRN-CEXHIMGSSA-N 394.472 1.645 0 50 GDAA Nc1cc(=O)nc(SCC(=O)Nc2nncs2)n1CCc1ccccc1 4769933 UVSUBXXTZXNWIG-UHFFFAOYSA-N 388.478 1.651 0 50 GDAA Cc1ccccc1CN1C[C@H]2CN(C(=O)Cn3nccc3C)C[C@@]2(C(=O)O)C1 216155629 YUXIXYLCYZTACA-RXVVDRJESA-N 382.464 1.545 0 50 GDAA C[C@@H]1OCC[C@]12CN(C(=O)NCCN1C(=O)c3ccccc3C1=O)C[C@@H](C)O2 364809835 KHTKIOUEAOFGLF-CKNLXJGOSA-N 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CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3cnc4c(c3)CNCC4)cn12 2100480630 LEEBEMXJKDWVNM-SFHVURJKSA-N 380.452 1.389 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N(C)CC)CC[C@@H]1NC(=O)c1cnc(C)nc1O 2100483565 FHGIBYDEZVPDLX-BPUTZDHNSA-N 378.473 1.663 0 50 GDAA Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[nH]c(=O)c1C 18086300 KCYIUKCUYSJLNL-UHFFFAOYSA-N 399.476 1.915 0 50 GDAA N[C@H]1CCCN(c2ncnc(=NCc3ccn(-c4c(F)cccc4F)n3)[nH]2)C1 2325793404 SPQDJPKWOVYUJT-LBPRGKRZSA-N 386.410 1.297 0 50 GDAA O=C(NC[C@@]1(CO)CC12CCNCC2)c1c[nH]c2ncc(Br)cc12 2325795376 CHCKVHKQQCEAKJ-QGZVFWFLSA-N 393.285 1.807 0 50 GDAA CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc3[nH]c(=N)[nH]c3c2)C1 2325858332 IVZIBUCEWYJURW-KRWDZBQOSA-N 378.480 1.521 0 50 GDAA Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@H]3CNC(=O)CCn3cnnn3)cc12 2325869357 KNOAARHUFCPVKL-CYBMUJFWSA-N 385.403 1.023 0 50 GDAA Cc1c(C(=O)N2C[C@@H](O)C[C@H](NC(=O)c3cncs3)C2)sc2nccn12 2325876520 YGJPXFJPJHXSCR-QWRGUYRKSA-N 391.478 1.166 0 50 GDAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 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COc1ccc(-c2cc(C(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)[nH]n2)cc1 20779453 GRYCAUREZQPIHL-UHFFFAOYSA-N 394.435 1.141 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CCCC[C@H]1CN)C2 332635384 VQNKZUWIZNTXAX-BBRMVZONSA-N 380.514 1.180 0 50 GDAA CCOC(=O)N1CCC(N2CCN(c3cc(N(C)CC)ncn3)CC2)CC1 67982833 NIUVNHBKGORZAJ-UHFFFAOYSA-N 376.505 1.676 0 50 GDAA O=S1(=O)CCC[C@H](CS(=O)(=O)NCc2cc(-c3ccccc3)no2)C1 253427170 DOKOUHXWQGTBBI-ZDUSSCGKSA-N 384.479 1.586 0 50 GDAA CC(=O)c1cc(CN2CCOC[C@H]2CC(=O)NCCc2ncnn2C)cs1 72478881 ZVTHQIAZRCLPMZ-OAHLLOKOSA-N 391.497 1.029 0 50 GDAA CCCC(=O)N1CCN(C(=O)NCc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 72473425 YMIDZSOWDHVHKX-KGLIPLIRSA-N 385.511 1.068 0 50 GDAA O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCOC[C@@H]1c1nc[nH]n1 375105181 KTSSDASOZAFBEP-OQHXTRMZSA-N 399.270 1.941 0 50 GDAA Cc1nc(CNC(=O)c2ccc3c(c2)CN(CCc2ccncc2)C3=O)no1 72462499 UBEGVILFPPHGHV-UHFFFAOYSA-N 377.404 1.902 0 50 GDAA Cc1cc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 72479722 VEDRGBOYKMSUDH-SJORKVTESA-N 396.484 1.630 0 50 GDAA CCOCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 77406938 HIUYAGOFEQTMRV-KRWDZBQOSA-N 396.509 1.407 0 50 GDAA O=S(=O)(c1ccc(NC(=S)Nc2ccccn2)cc1)N1CCOCC1 17077412 VTWCBCJVLHKSJK-UHFFFAOYSA-N 378.479 1.911 0 50 GDAA COc1ccc(OC2CCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)cc1 82109061 PMRHYDNSTUWLDP-INIZCTEOSA-N 375.425 1.348 0 50 GDAA O=C(CCc1ccc(F)c(F)c1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 426501759 LDZWWVWYZHQVEV-ZDUSMZPESA-N 381.419 1.912 0 50 GDAA COCCN(C)C[C@@H]1CN(C(=O)c2c(C)n(C)c3ccc(O)cc23)C[C@@H]1CO 91460463 KLMQGNKILAARRB-HZPDHXFCSA-N 389.496 1.451 0 50 GDAA CN(C)c1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc(N)n1 95364077 JPRMZILFPLLQSL-OAHLLOKOSA-N 388.516 1.513 0 50 GDAA COc1cc(CN2C[C@H]3CN(CCO)C[C@@]3(C(=O)O)C2)cc(Cl)c1OC 96147992 FPPSCUXYUPXCJK-FZKQIMNGSA-N 384.860 1.168 0 50 GDAA CCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2nncn2CC)cc1 96161233 GFMDQRCEXBKZPT-LBPRGKRZSA-N 380.474 1.869 0 50 GDAA Cc1ncn(CC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1C 95531201 FHOUYLFIEWLMGL-UHFFFAOYSA-N 396.495 1.536 0 50 GDAA CN1CC(=O)N(c2cccc(NC(=O)N3CCC[C@H](c4nc[nH]n4)C3)c2)C1=O 97514207 METYDDPMOLXGQR-LBPRGKRZSA-N 383.412 1.615 0 50 GDAA O=C1CCCN1C[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)[nH]c2=O)C1 91468510 PWRGIUPXQVCJCU-AWEZNQCLSA-N 381.436 1.307 0 50 GDAA CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)O 248098338 YWFQLWIVTMRHDH-WOYTXXSLSA-N 383.533 1.898 0 50 GDAA biogenic COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3ccccn3)N=C2O)cc1 252537584 LQYZZIIOGXEBMG-QGZVFWFLSA-N 382.420 1.464 0 50 GDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)CCc2cc3n(n2)CCCNC3)C1 72428851 FWKDRSYZOYFNJJ-INIZCTEOSA-N 381.480 1.826 0 50 GDAA CC(C)Cc1nc(CN(C)S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)no1 821483303 BDFUHHFZQWSQSR-UHFFFAOYSA-N 380.426 1.534 0 50 GDAA O=S1(=O)CC[C@@H](N2CCC(c3n[nH]c(COc4ccccc4)n3)CC2)C1 828395485 GTRMZNFWNMDJKN-OAHLLOKOSA-N 376.482 1.750 0 50 GDAA COCC[S@](=O)Cc1cccc(NC(=O)c2cn(C[C@H]3CCCO3)nn2)c1 1875274163 OVOPSBULOGPOLG-JWIGPWBQSA-N 392.481 1.605 0 50 GDAA C[C@@H](c1nc([C@@H]2CCCN2S(C)(=O)=O)no1)n1ccc(C(F)(F)F)n1 1875269480 CNSVTTQIJKEILZ-IUCAKERBSA-N 379.364 1.991 0 50 GDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)C1 1875371328 XJTFAFOGWYNPBA-KGLIPLIRSA-N 376.482 1.745 0 50 GDAA COc1cccc2c1CCN(C(=O)c1nc(C)c(C)c(N3CC[C@@H](N)C3)n1)C2 1875401819 SWDQGPHQCGSPBA-MRXNPFEDSA-N 381.480 1.838 0 50 GDAA Cc1nc(C(=O)N2CCC(c3cnc[nH]3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403197 RNICZFWWLMVIBK-QGZVFWFLSA-N 397.527 1.977 0 50 GDAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c1C 952967001 GTPKLEBJJHRLCI-DOTOQJQBSA-N 383.496 1.864 0 50 GDAA COCC(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)ccc1OC 952984145 OLTMYNYEVLYRSC-CYBMUJFWSA-N 392.456 1.612 0 50 GDAA CC(C)c1noc([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1 952860024 ACWSYIGZQXKOAW-LLVKDONJSA-N 392.437 1.605 0 50 GDAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088404 WLKOGKWFUSXDBF-ZOBUZTSGSA-N 396.447 1.363 0 50 GDAA COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 170086648 WTHWPGRFMHOSDC-WXVPWVKJSA-N 394.512 1.767 0 50 GDAA Cn1cc([C@@H](O)CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1 170005425 NFZPWGHEXIGCOS-LBPRGKRZSA-N 381.314 1.952 0 50 GDAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2nc(C)c(C)s2)C1 408502359 SKLBPDIEEQUCNP-ZWNOBZJWSA-N 387.527 1.850 0 50 GDAA CCn1nccc1N1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1=O 189962284 WOTJKARDVSIEAS-HNNXBMFYSA-N 379.424 1.409 0 50 GDAA CN1C(=O)C2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c2ccccc21 1506401058 DNCABHVZWSWOGR-UHFFFAOYSA-N 388.427 1.845 0 50 GDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC[C@@H]1O 1704343863 GWBSEZSPIPWEMH-RDJZCZTQSA-N 379.438 1.189 0 50 GDAA O=S(=O)(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc2c(c1)OCCCO2 1704298523 IPSVDWAMHQWXSR-WBVHZDCISA-N 390.461 1.779 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 1704360449 YZBFUNHGLMJULK-WCQYABFASA-N 380.388 1.342 0 50 GDAA O=C(CCc1ccc(O)nn1)N1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 1772707373 RYHJUNIZVADTRM-UHFFFAOYSA-N 393.447 1.971 0 50 GDAA Cc1ccc(OCC(=O)N2C[C@H]3CN(Cc4cccnc4N)C[C@@]3(CO)C2)cc1 1772815811 XXMCHKGYWKCHTJ-GCJKJVERSA-N 396.491 1.304 0 50 GDAA O=C(CN1CCCN(C(=O)C2CCC2)CC1)Nc1nnc([C@H]2CCCO2)s1 1772709794 MOKTWMKKOVVZJB-CQSZACIVSA-N 393.513 1.663 0 50 GDAA CCn1cc(C(=O)N2CCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)cn1 1772711044 VNNGMPJWEKRQNT-GOSISDBHSA-N 395.463 1.452 0 50 GDAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 11814959 WQSZJURCRIDZJV-KRWDZBQOSA-N 388.464 1.688 0 50 GDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)nc2c1CCC2 11843484 MMIXDCIIVKOVDU-GOSISDBHSA-N 387.528 1.169 0 50 GDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1 12074637 XAHNYFBMTOJFHX-UHFFFAOYSA-N 397.497 1.504 0 50 GDAA c1cnc(N2CCCN(c3nc4nonc4nc3N3CCCCC3)CC2)nc1 12373030 KOELZDQGJXRTEL-UHFFFAOYSA-N 381.444 1.510 0 50 GDAA CCOC(=O)CN(C)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 14953398 AWKFSKXWWYCOKQ-UHFFFAOYSA-N 375.425 1.818 0 50 GDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC(c3ccncc3)CC2)CC1 15071985 YXYJYHHNWDYWDE-UHFFFAOYSA-N 383.500 1.706 0 50 GDAA CO[C@H]1C[C@@H](CNC(=O)c2ccnc(-c3ncc[nH]3)c2)N(c2cc(C)ncn2)C1 1857533207 ASGIJGSIMIMFDX-HOTGVXAUSA-N 393.451 1.594 0 50 GDAA COc1ccccc1-c1noc(CCC(=O)N2CCN3[C@@H](C)COC[C@H]3C2)n1 1857722826 PBOASILJSYNAPG-LSDHHAIUSA-N 386.452 1.609 0 50 GDAA C[C@H](O)c1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccc3nncn3n2)n1 1857726937 IFWYHZIHQLWEKJ-LBPRGKRZSA-N 390.407 1.552 0 50 GDAA CCC[C@]1(CO)CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1O 1875251636 UZDYVHHIJJQPQP-WIYYLYMNSA-N 390.480 1.145 0 50 GDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530316 ALVUMSOFCVPNTF-SYHDCBOWSA-N 392.492 1.444 0 50 GDAA biogenic O=C(CN1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1)N1CCCC1 154185695 ZIUPMJCTZOIVIW-QGZVFWFLSA-N 392.450 1.310 0 50 GDAA C[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C[C@]2(CCCOC2)O1 373672789 PBGWFKWVDLXPLU-KDOFPFPSSA-N 395.456 1.970 0 50 GDAA Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@H]3CCOC3)CC2)cc1 808269292 DIEKOBHPFQADHT-CQSZACIVSA-N 386.495 1.030 0 50 GDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C[C@@H]1O 2100477677 GXKBMJIJXCUODT-YJBOKZPZSA-N 398.481 1.029 0 50 GDAA CCOC(=O)CNC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 201955723 SXJWEZQRUZYIRG-LJQANCHMSA-N 394.431 1.689 0 50 GDAA N=c1nc2c(c[nH]1)CN(C(=O)c1cc3c(N4CCNCC4)cccc3s1)CC2 2325795455 GQICNHPJIFSXFD-UHFFFAOYSA-N 394.504 1.712 0 50 GDAA O=C(C[C@@H]1CCC(=O)N1)NCC1[C@H]2CN(C(=O)c3nccc4ccsc34)C[C@H]12 2325824121 PXPFCSFDCAVGPO-NWANDNLSSA-N 398.488 1.399 0 50 GDAA CCOC(=O)C1=C(CN2CCCc3c2ccc2c3ncn2C)NC(=O)N[C@@H]1C 2325824806 QQDPPXFINDNGCW-GFCCVEGCSA-N 383.452 1.844 0 50 GDAA CC1(C)[C@@H](CNC(=O)c2cc(F)c3ncccc3c2)C[C@H](C(=O)O)S1(=O)=O 2325875676 ZMSGPHUUQYKJIV-TZMCWYRMSA-N 394.424 1.770 0 50 GDAA COCCN1Cc2nnc(Cc3c(C)n[nH]c3C)n2[C@H](Cc2ccccc2)C1=O 2356159553 GQALDXDIGJFKMQ-GOSISDBHSA-N 394.479 1.981 0 50 GDAA CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 4005617 IQYVMFNRXCKBHJ-BZLDKRAPSA-N 384.432 1.877 0 50 GDAA CCCCn1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 4251008 MINWFJLQPJQGLE-UHFFFAOYSA-N 386.500 1.744 0 50 GDAA O[C@H](COc1ccccc1CNCCN1CCCC1)CN1CCSCC1 23359833 FHUXTPLFSLRESY-IBGZPJMESA-N 379.570 1.661 0 50 GDAA O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 20271942 YNKPWIVUKNXRSK-UHFFFAOYSA-N 391.468 1.448 0 50 GDAA CC(C)c1ccc(C(=O)N2CCn3nc(C(=O)N4CCCC4)cc3C2)c(=O)[nH]1 67679302 UEAQEYLLEYZVNC-UHFFFAOYSA-N 383.452 1.587 0 50 GDAA Nc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328629731 PCOUZEXEEYCSGD-SECBINFHSA-N 386.275 1.164 0 50 GDAA CC(C)n1cc(C[C@@H]2N=C(O)N(CCN3CCCc4ccccc43)C2=O)nn1 328616012 ZMKBTRWSCYLXIQ-KRWDZBQOSA-N 382.468 1.979 0 50 GDAA CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(Cn3c(C)nc4ccccc43)nn2)CN1 67740233 SFHBTYWKGMBRFZ-WMZOPIPTSA-N 381.484 1.756 0 50 GDAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCN(C)C(=O)C3)nc2)C1 67758241 VWWYJWJALVLEPY-KRWDZBQOSA-N 386.496 1.827 0 50 GDAA CCn1ccnc1CN(C(=O)COCc1nc(C)no1)[C@H]1CC12CCNCC2 435555742 IHQWDOCOCGPAHT-HNNXBMFYSA-N 388.472 1.282 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc(-n3ccnc3)cc1)CCN2CC1CC1 72419043 BOSLACGYIUCABY-UXHICEINSA-N 386.521 1.566 0 50 GDAA Cc1ccc(N2CCN(C(=O)c3cnn4cc(CCO)cnc34)[C@@H](C)C2)cc1 77391702 GHXXJYPMIRPCIO-INIZCTEOSA-N 379.464 1.923 0 50 GDAA O=C(c1cnc(-c2cccnc2)nc1)N1CCN([C@H]2CN3CCC2CC3)CC1 77343864 DDDWYVDVVBUNOY-IBGZPJMESA-N 378.480 1.391 0 50 GDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]3C1=O 77503393 WTMKHBUTNXYQRZ-OOSNJVJTSA-N 375.513 1.369 0 50 GDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2COCCN2CC2CCC2)CC1 367889363 ZKSXBGIVBYTPJF-HXUWFJFHSA-N 389.544 1.182 0 50 GDAA CSCCC(=O)N[C@H]1CC[C@H]1NC1CCN(C(=O)c2cnccn2)CC1 72162408 VTRUWSPZHCLXQZ-CABCVRRESA-N 377.514 1.071 0 50 GDAA CCCN1CCN(Cc2cc3c(cc2OC)CCC3)[C@H]2CS(=O)(=O)C[C@H]21 72430583 RSOCDDKQRHRLEY-MOPGFXCFSA-N 378.538 1.877 0 50 GDAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35982195 QHHYBCBUWBKELD-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CC[C@H](O)[C@@H](O)C3)cs2)n1 72158242 XXKFSAWZDVWRTM-UWVGGRQHSA-N 376.360 1.224 0 50 GDAA Cc1nc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)ccc1C(=O)O 263333166 MRIUZRSWXGNVOS-KYJSFNMBSA-N 379.416 1.975 0 50 GDAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1OC 44890365 TXCRVEMYYFCALQ-UHFFFAOYSA-N 380.404 1.639 0 50 GDAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)c1ccc(N)nc1)C2 71708070 NOMWMTMQSFVLCP-UHFFFAOYSA-N 375.436 1.780 0 50 GDAA CN(Cc1ccn(C)n1)C(=O)Cn1nc(-c2cnn(C)c2)cc1-c1cnn(C)c1 17080369 HGYZEIHJFFTZHO-UHFFFAOYSA-N 393.455 1.076 0 50 GDAA NC(=O)[C@@H]1CCCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 426552209 AJHOIIIOZZRQOX-GFCCVEGCSA-N 377.832 1.839 0 50 GDAA C[C@H](CCn1cccn1)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 426628173 GSLYGNHMOAPQJF-MRXNPFEDSA-N 376.505 1.177 0 50 GDAA O=C(NCCCOc1cccnc1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 426533805 OXJHJJNKTADEGO-QGZVFWFLSA-N 376.457 1.273 0 50 GDAA COc1ccnc(N2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)n1 91586132 MOTHNWJHPAWVAA-UHFFFAOYSA-N 382.468 1.993 0 50 GDAA COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 95359188 OSTBVSVHMGFTMU-CYBMUJFWSA-N 380.828 1.886 0 50 GDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CN(C)C)CN1Cc1cccc(SC)c1 96151239 YMGOCIMEYGTOBD-RDJZCZTQSA-N 378.542 1.165 0 50 GDAA COCCn1nnc([C@H]2CN(Cc3cc(=O)c4cc(C)ccc4[nH]3)CCO2)n1 92062149 RYXSMDMJDGFADL-GOSISDBHSA-N 384.440 1.043 0 50 GDAA Cc1ncncc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 92045572 MNIMCFQAQDQVSM-HXUWFJFHSA-N 382.468 1.596 0 50 GDAA O=C(C[C@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91255453 SADCXNYNTOJJJO-FQEVSTJZSA-N 399.535 1.839 0 50 GDAA Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)c(=O)[nH]1 95516842 ZODVQWBUGKMVFS-DOTOQJQBSA-N 380.448 1.650 0 50 GDAA CCOC(=O)[C@H]1CCCN(c2c(NCCN3CCCC[C@H]3C)c(=O)c2=O)C1 245380858 PUAYUEJQPPNIQO-CABCVRRESA-N 377.485 1.348 0 50 GDAA CN1C(=O)COc2cc(NC(=O)NCCCN3CCCC[C@@H]3CO)ccc21 534591633 KXNHAFSKVFRPOR-OAHLLOKOSA-N 376.457 1.400 0 50 GDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCCOc2cccc3cccnc23)C1 670446918 SEKZQKAEEPLEDS-CQSZACIVSA-N 379.438 1.245 0 50 GDAA CCn1nc2c(c1C(=O)N1CCN(C3(CC)COC3)CC1)C[C@H](C)O[C@@H]2C 1875314130 IWFUEDQLHQDQNO-LSDHHAIUSA-N 376.501 1.862 0 50 GDAA COC(=O)[C@@H]1CN(CC(=O)Nc2cnc3ccccc3c2)Cc2nccn2C1 1875321475 JWIYPVJPNGNIJT-OAHLLOKOSA-N 379.420 1.675 0 50 GDAA Cc1cc(NC(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@H]4C3)C2)cn2ccnc12 886071772 HGWOYPWITHYWSH-NXHRZFHOSA-N 396.495 1.992 0 50 GDAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 888102589 IFHROCGJVPKOIR-INIZCTEOSA-N 389.481 1.725 0 50 GDAA C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)CS1(=O)=O 888101700 LVAHPLGZLMDTFV-RHSMWYFYSA-N 376.482 1.696 0 50 GDAA CN1CCN(c2ccc(NC(=O)CCc3cccc4c3B(O)OC4)cc2)CC1 1776002963 OJIBLUFAYNPMQY-UHFFFAOYSA-N 379.269 1.227 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2sccc2Cl)C[C@@H]1NS(=O)(=O)N(C)C 1565528481 KNPZBFHMZLFVGP-PWSUYJOCSA-N 379.935 1.894 0 50 GDAA 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IPONRZJLKKOMIK-QGZVFWFLSA-N 377.485 1.108 0 50 GDAA Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cc(Cl)n1 832190940 HGHHLQLFOPEEDX-BXUZGUMPSA-N 390.875 1.108 0 50 GDAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2ccc3nc(O)cc(C)c3c2)C1 952987434 NRFKWGZJIBKJJL-HNNXBMFYSA-N 393.509 1.838 0 50 GDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1ccccc1C(=O)O 1506396481 HHTLECACZJRMKO-CYBMUJFWSA-N 380.466 1.796 0 50 GDAA COc1cccc2c1C1(CCN(C(=O)CCCS(N)(=O)=O)CC1)OCC2 1704312930 BQDWZKBTENPROP-UHFFFAOYSA-N 382.482 1.154 0 50 GDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2nc(C)cnc2C)CC1 1772809431 ATISREHJZMWOLQ-MRXNPFEDSA-N 375.473 1.753 0 50 GDAA COc1ccc(CNC(=O)C2CCN(C[C@H](O)C3CCNCC3)CC2)cc1 1857676952 ZWTXWIFLIQZFKV-FQEVSTJZSA-N 375.513 1.384 0 50 GDAA Cc1nnc(N2C[C@H](C(=O)NCCc3cnn(-c4ccccc4)c3)CC2=O)s1 1857695762 WXENSWNEOUGJGS-OAHLLOKOSA-N 396.476 1.744 0 50 GDAA NC(=O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2ccc(-c3ccccc3)nn2)CCO1 1857723158 VSTYTCCESWNLMM-OEWRPIJISA-N 393.491 1.831 0 50 GDAA CCCN1CCN(C(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)CC1=O 1857726791 CNPKTZRGIKRHRS-HNNXBMFYSA-N 385.468 1.910 0 50 GDAA COCc1cc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)[nH]n1 1857734002 JKWJXMTZCKIQMD-SNVBAGLBSA-N 378.458 1.200 0 50 GDAA CCC(CC)CC(=O)NC[C@H]1[C@H]2CN(C(=O)Cn3cccn3)C[C@]23CC[C@H]1O3 1857736508 JTRGVYJQCIHEPX-XKGFGPFHSA-N 388.512 1.832 0 50 GDAA CN=c1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)c4n[nH]c(C)c4C)C[C@H]3C2)c[nH]1 1875322057 HAKXKEXJEJYQMW-NVXWUHKLSA-N 396.495 1.510 0 50 GDAA CN(C[C@@H](O)CNC(=O)CN(C)c1ccccc1)C(=O)Cc1ccccc1F 1875344150 GCBNXDPDIBJJLY-SFHVURJKSA-N 387.455 1.440 0 50 GDAA C=CC(=O)N[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1c1ccccc1 1875383567 ZJBSOLILIJMGGF-FUHWJXTLSA-N 379.464 1.454 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3cccc4nncn34)C2)c1C 1875397562 DYFAFUUCZPEFPT-CQSZACIVSA-N 380.456 1.529 0 50 GDAA O=C(Cc1csc(-c2ncccn2)n1)N[C@H]1CCCN2CCSC[C@@H]12 2325763294 RFGNWQYQKJFPDE-KBPBESRZSA-N 375.523 1.839 0 50 GDAA O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 2325803248 ZWTZMWPCOHOXLB-HGXVYCQQSA-N 380.238 1.677 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1I 1110697 MHMMLPUTBFICAD-UHFFFAOYSA-N 383.207 1.321 0 50 GDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356147445 WLNZJWPAFNXXCR-LJQANCHMSA-N 379.424 1.271 0 50 GDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CSc3nncn3C)C1)CC2 2356158216 FNJQLJFLZWFKQI-GOSISDBHSA-N 387.513 1.270 0 50 GDAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCN(c2nc3ccccc3o2)CC1 2356165903 KIFOGQYMGXMQLS-CQSZACIVSA-N 392.481 1.484 0 50 GDAA O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 4870038 WRXCISNKUGYRFX-UHFFFAOYSA-N 380.491 1.742 0 50 GDAA CCn1ncc(C2=NO[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1C 6804891 SBVUJOOSRBKEBY-KRWDZBQOSA-N 385.424 1.282 0 50 GDAA O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 314851255 UDSIKNYTUZCLJB-CYBMUJFWSA-N 385.239 1.818 0 50 GDAA Cc1cc(C)cc(C(=O)N(C)CCn2cc(C(=O)N3CCSCC3)nn2)c1 67726921 QCSJNZJCBKCEFA-UHFFFAOYSA-N 387.509 1.856 0 50 GDAA CCn1nc(C(=O)O)c2c1CCN(C(=O)C1CCN(c3ncccn3)CC1)C2 67769861 CWGBEDLGEWIUAU-UHFFFAOYSA-N 384.440 1.193 0 50 GDAA CCOCc1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)ccc1OC 20351797 BOASSXIZYXTXDV-WOJBJXKFSA-N 377.529 1.414 0 50 GDAA CCN1CCN(C[C@@H](O)COc2ccc(CN3CCCCO3)cc2OC)CC1 22851201 KMPANFWZJXULBI-LJQANCHMSA-N 393.528 1.600 0 50 GDAA CCc1noc([C@@]2(O)CCN(S(=O)(=O)C3=Cc4ccccc4CC3)C2)n1 328609899 GBQYOAGOIRRNCV-GOSISDBHSA-N 375.450 1.842 0 50 GDAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 328610561 ILZHEGCJNCUBFX-INIZCTEOSA-N 381.502 1.652 0 50 GDAA O=C(Cn1cc(C[C@H]2N=C(O)N=C2O)nn1)N1CCSC2(CCCCC2)C1 328609017 BXOQALFAYQMMTA-CYBMUJFWSA-N 392.485 1.352 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCO[C@H](c4cncn4C)C3)cc12 328620659 HFTULNQJFAKKFA-WBMJQRKESA-N 390.469 1.209 0 50 GDAA CC[C@@H](C(=O)N1CCN(C)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 65362374 UZQYSNLYKVMKPN-HNNXBMFYSA-N 387.933 1.967 0 50 GDAA CN(C)S(=O)(=O)c1ccccc1-c1noc(-c2nnc3ccccc3n2)n1 350392274 ATFZXAOWVPYUJF-UHFFFAOYSA-N 382.405 1.992 0 50 GDAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4C(=O)CNC4=O)C3)C2)c1 72137302 BRXWUVHDOKLYBC-NRFANRHFSA-N 384.480 1.361 0 50 GDAA O=C(Cc1cnc2ccccn12)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72150093 WJOJLINDTRQXKM-RTWAWAEBSA-N 376.460 1.730 0 50 GDAA Cn1cc(N2CCN(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)CC2)cn1 174133489 LIYMNHSJNFMXFT-MRXNPFEDSA-N 389.481 1.170 0 50 GDAA O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cn(C2CCNCC2)nn1 238012263 IPHWADGIODJFKF-HNNXBMFYSA-N 384.267 1.973 0 50 GDAA O=C(c1ccc(=O)[nH]c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72440715 NPRHXTLKYQUDDB-FUHWJXTLSA-N 380.448 1.466 0 50 GDAA O=C(COc1cccc(C(=O)N2CCOC[C@H](CO)C2)c1)N1CCCCC1 77420387 SLFUHKIOJMVDIK-INIZCTEOSA-N 376.453 1.159 0 50 GDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCN(CCCc2ccccc2)CC1 72409879 LGZHVDXUZXBXAJ-UHFFFAOYSA-N 384.480 1.081 0 50 GDAA CCN1CC2(CCN(C(=O)Cc3ccc(-n4nnnc4C)cc3)CC2)CC1=O 72418809 COBRGBJAZLGOLS-UHFFFAOYSA-N 382.468 1.374 0 50 GDAA OC[C@]1(Cc2ccc(F)cc2)CCN(Cc2nnnn2CC2CCOCC2)C1 288823505 NHKHQIYIBILOPY-FQEVSTJZSA-N 389.475 1.666 0 50 GDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O 426662030 BAMYOZOLDRKQKM-UHFFFAOYSA-N 385.443 1.567 0 50 GDAA CS(=O)(=O)CCSc1nnc(C2CCNCC2)n1Cc1ccccc1 426510478 WBLQOTJWQBJAGW-UHFFFAOYSA-N 380.539 1.930 0 50 GDAA C[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCOCC1 95510987 SPQVXXQCDRZETD-QGZVFWFLSA-N 383.496 1.753 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95506793 CJXFKAXNEKHOFE-INIZCTEOSA-N 378.436 1.289 0 50 GDAA CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCCOC3)c2)cn1 95378552 YPARUOLNPWRVDY-MRXNPFEDSA-N 392.481 1.290 0 50 GDAA COCCN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccc(C)s1)CCN2C 95389569 VRKXLURJLIIASK-IBGZPJMESA-N 379.526 1.842 0 50 GDAA CN(C)C(=O)c1noc2c1CN(C(=O)c1ccc(-c3ccccc3)[nH]c1=O)CC2 91537095 QOMGYKQZWWEYDU-UHFFFAOYSA-N 392.415 1.930 0 50 GDAA CN1CCCN(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 96136662 WULTVTGQFHXFDC-UHFFFAOYSA-N 376.457 1.094 0 50 GDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@@H](C)n3ccnc3C)CC2)CC1 95523936 FSEAOGOAPBXGCU-QGZVFWFLSA-N 389.544 1.935 0 50 GDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)Cc2ccccc2)CC1 96132206 FHJGWWBSRGJIGC-UHFFFAOYSA-N 383.496 1.596 0 50 GDAA O=C(c1cccc(S(=O)(=O)NCCc2ccccn2)c1)N1CCCNCC1 97117839 OUAOMUHOBURQJW-UHFFFAOYSA-N 388.493 1.038 0 50 GDAA Cc1cc(C)nc(CCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)n1 244601902 DUAXJOZRSYWMJI-HNNXBMFYSA-N 376.482 1.607 0 50 GDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCc1nnc2ccccn12 252549273 RBCOOPQKKQWMQM-OAHLLOKOSA-N 392.419 1.103 0 50 GDAA COc1ccccc1[C@H]1NC(=O)N(Cc2nncn2C(C)C)C2=C1C(=O)OC2 263615741 DZTVVULDNPJWML-QGZVFWFLSA-N 383.408 1.945 0 50 GDAA Cc1nc(N)sc1CC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 827861552 NLLMPRHWYMWJFY-RNFHDMOYSA-N 397.548 1.260 0 50 GDAA COc1ccccc1-c1ncc(CNCCCN2CCC[C@H](C(N)=O)C2)cn1 490892279 GADNOBMEAVZRST-KRWDZBQOSA-N 383.496 1.829 0 50 GDAA Cc1ncn(CCNC(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C 584886010 GZSIDWXBEMOUAS-UHFFFAOYSA-N 379.468 1.975 0 50 GDAA CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3c(O)ncnc3C2)c1 1875259311 SUPAWUBPQNNQAC-UHFFFAOYSA-N 390.465 1.458 0 50 GDAA Cc1cc(Cl)ccc1C1(C(=O)N2CC3(C2)[C@H](C(N)=O)CCS3(=O)=O)CC1 1875396086 VHILKBDSALNDSA-AWEZNQCLSA-N 396.896 1.181 0 50 GDAA NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1875308666 QPZBJRJRPVDDRS-QTFJUKGGSA-N 377.391 1.430 0 50 GDAA Cc1ccccc1-n1cc(CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cn1 952987876 HDFSWRKIVYOQLA-HNNXBMFYSA-N 383.495 1.129 0 50 GDAA CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)cc1 1565531021 FYSMUHDDNCZSQX-HOTGVXAUSA-N 376.434 1.451 0 50 GDAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 275769373 XOFBVZCISCKZKO-GJZGRUSLSA-N 385.468 1.679 0 50 GDAA COC[C@@H](NS(=O)(=O)c1ccc(-c2onc(C)c2C)o1)c1ccnn1C 1506408163 CCNZQUQESVSHPE-GFCCVEGCSA-N 380.426 1.951 0 50 GDAA O[C@@H]1CCCN(c2ccnc(N3CCN(c4nc5ccccc5o4)CC3)n2)C1 1529099367 WFXAJKWBPSXTNZ-OAHLLOKOSA-N 380.452 1.906 0 50 GDAA CC(C)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1NS(C)(=O)=O 216472223 FOKJVWSPXMKCPY-SJORKVTESA-N 376.482 1.518 0 50 GDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)c3ccc(OC)nc3)CC2)C1 1775983969 WYGGVEMIRLJZRA-MRXNPFEDSA-N 376.457 1.469 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F 11859285 WRLCEQUZNVPEHY-WDMOLILDSA-N 392.355 1.364 0 50 GDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccoc1)CC2 14534304 MFCCSRHJQVVPFS-UHFFFAOYSA-N 376.457 1.410 0 50 GDAA CN1CCN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 19632839 GBBSUAFBMRNDJC-MRXNPFEDSA-N 388.815 1.568 0 50 GDAA biogenic,world CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(F)cc(OC)c3)C2)n1 1857527345 NOFYXLSOLSYQSU-MRXNPFEDSA-N 387.459 1.969 0 50 GDAA Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3COCCO3)C2)c(Cl)c1 1857530425 LWTSESWPTOHIIC-YOEHRIQHSA-N 380.872 1.984 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CC2=O)s1 1857697971 RTZAXVIVHGOGOU-ZDUSSCGKSA-N 386.481 1.197 0 50 GDAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857716342 HQJLMIYGAPAHHZ-ICSRJNTNSA-N 379.416 1.740 0 50 GDAA COc1cccc(OCC(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c1 1857718456 UWIAAADGJOTQKW-UHFFFAOYSA-N 384.436 1.489 0 50 GDAA O=C(c1ncccc1O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857719753 STNRHKVIBHMIJD-HKUYNNGSSA-N 384.436 1.097 0 50 GDAA CN1CCC(N(C)C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)CC1 12759239 XEQAZYSGNIDRBO-HXUWFJFHSA-N 386.540 1.362 0 50 GDAA CC(C)C[C@H](NC(=O)c1cccc(-n2cncn2)n1)C(=O)Nc1nccs1 831580841 FMZNYVIVNPQUBR-ZDUSSCGKSA-N 385.453 1.902 0 50 GDAA CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CCc1ccncc1 1729628033 KHLHCXVNSLYJQN-DOTOQJQBSA-N 386.500 1.976 0 50 GDAA CCCn1c(-n2nc(CC(N)=O)nc2Cc2cn(C)nc2C)nc2ccccc21 2100557632 XGYCGBWDXLGZTD-UHFFFAOYSA-N 392.467 1.688 0 50 GDAA C[C@@H](C(=O)NC[C@H]1C[C@@H](O)CN1c1cc(N)ncn1)c1cc2ccccc2o1 2325786121 CEMJCUYGQJKMLR-BPLDGKMQSA-N 381.436 1.665 0 50 GDAA COc1cc(C=O)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 2163550 RNJUQARLYBANHW-UHFFFAOYSA-N 376.390 1.466 0 50 GDAA COC(=O)c1cncc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c1 2356137571 QBCYKFJDJPXCHW-OAQYLSRUSA-N 395.463 1.844 0 50 GDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2nc(O)nc3ccccc23)C1 2356145924 XVEWWPVWPSXEDR-FQEVSTJZSA-N 376.420 1.658 0 50 GDAA CCCCn1c(CN2CCN(C(=O)OCC)CC2)cnc1S(=O)(=O)CC 20203448 HYZJLUTYHXZGBL-UHFFFAOYSA-N 386.518 1.751 0 50 GDAA CCn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc(NC(C)=O)ccc21 20215093 DKNYXRBYFQLJKU-UHFFFAOYSA-N 379.486 1.092 0 50 GDAA COCc1nnc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)s1 61720292 YKYFZKYEEJWAGL-UHFFFAOYSA-N 378.458 1.116 0 50 GDAA O=C(NC1CCCCC1)N1CCC(n2cc(CN3CC[C@@H](O)C3)nn2)CC1 23369443 UEFXGZNUHZRFKL-GOSISDBHSA-N 376.505 1.524 0 50 GDAA Cn1nc([C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)n(-c2ccccc2)c1=O 67741269 LZTBFHPYLSPGLJ-CYBMUJFWSA-N 376.424 1.621 0 50 GDAA C[C@H](NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccc(F)cc1F 248378044 ILGCSIDOVBBDCE-JSGCOSHPSA-N 389.468 1.546 0 50 GDAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(N2CCC[C@@H](CO)C2)CC1 20515114 BGFYTQSSEMGNDS-HZPDHXFCSA-N 390.480 1.878 0 50 GDAA CS(=O)(=O)N1CCC(N(CC(=O)O)C(=O)c2ccc3c(c2)CCCC3)CC1 328630913 JWDFYYGYKQQUCR-UHFFFAOYSA-N 394.493 1.516 0 50 GDAA CN(C)c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cn1 71707968 JFIWFZZYBZHGSC-UHFFFAOYSA-N 391.449 1.534 0 50 GDAA COc1ccc([C@@H](N)CC(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1OC 72432311 JJPUMXTUVGLGJL-HNNXBMFYSA-N 375.469 1.565 0 50 GDAA O=C(CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)NC1CC1 71746216 MLUUKSPCRISXQE-SFHVURJKSA-N 399.539 1.153 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccc2)cc1OC 72165670 VJZRWFQGFPRUOS-GOSISDBHSA-N 397.475 1.711 0 50 GDAA CC[C@@H](C(=O)N1CCO[C@H](C(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 262369034 FSZDKDLHUFMFLP-STQMWFEESA-N 379.804 1.257 0 50 GDAA C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)O 262522595 QZLHNAXLRMPHEB-SLEUVZQESA-N 396.490 1.993 0 50 GDAA Cn1ccc(NC(=O)CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)n1 426589745 IKTGWCAWPQNWOL-OAQYLSRUSA-N 399.470 2.012 0 50 GDAA CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)c1cc(Br)cs1 180162082 QOXVPKWHHKTOHG-VIFPVBQESA-N 389.271 1.906 0 50 GDAA CN(C)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccoc3)c2)C1 95390760 JVKCZVKNVPKTOA-MRXNPFEDSA-N 377.466 1.534 0 50 GDAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)[nH]n1 91468483 YIWFPXYRKJYVEI-UHFFFAOYSA-N 382.468 1.758 0 50 GDAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)N1CCN(CC(N)=O)CC1 426498595 NVQGQLMAPMHODA-UHFFFAOYSA-N 379.411 1.110 0 50 GDAA COc1cc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)ccc1C 91452091 YFJULEUXCXFPLO-RTBURBONSA-N 376.497 1.335 0 50 GDAA Fc1ccc(-n2nc(Cn3cncn3)nc2C[C@@H]2CNCCO2)cc1Cl 96164123 BIAUVIJTQYBACI-GFCCVEGCSA-N 377.811 1.231 0 50 GDAA Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239046400 FQCYADCTXGXDJH-HXXCKNJQSA-N 379.412 1.774 0 50 GDAA COc1cc(=O)n2c(c1C(=O)NC[C@H]1CCOc3ccccc3C1)CCNCC2 97505693 ASXBEJQBXMJCEE-HNNXBMFYSA-N 397.475 1.374 0 50 GDAA O=C(O)C[C@@H](NS(=O)(=O)N1CCOCC1)c1cccc(Br)c1 268795074 WKMVKWSTHBZNAF-GFCCVEGCSA-N 393.259 1.132 0 50 GDAA CN1CCc2[nH]nc(C(=O)N[C@H](c3ccc4c(c3)CCO4)[C@H]3C[C@@H](O)C3)c2C1 243900932 AXQFWEAYDROLQK-ZRGWGRIASA-N 382.464 1.575 0 50 GDAA O=C(N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)C1(O)CCC1 183386812 NXHOVXCYRARUEY-CYBMUJFWSA-N 380.457 1.390 0 50 GDAA O=C(O)[C@H]1[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@H]1O2 247377883 IQWARWRNUFECRK-QBPKDAKJSA-N 378.856 1.862 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3ccccc3n(C)c2=O)c1O 253623980 XIMAYVYDBHIHFE-NSHDSACASA-N 397.387 1.139 0 50 GDAA biogenic CCOC(=O)[C@H]1CCCN(C(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)C1 263617975 QSMPRWPCQOCKIZ-AWEZNQCLSA-N 395.419 1.912 0 50 GDAA O=C(CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1)NC1CCCCCC1 299789346 XQQNZLCFSHLGSW-IRXDYDNUSA-N 375.473 1.570 0 50 GDAA Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CCc4[nH]ncc4C3)CC2)c1 270298084 OEDUHOMTNXVPEW-KRWDZBQOSA-N 396.491 1.881 0 50 GDAA O=C(NC1CCN(Cc2cccs2)CC1)c1ccc(-n2cnnn2)cc1O 670471675 NWRNCKOWHDEWDQ-UHFFFAOYSA-N 384.465 1.824 0 50 GDAA O=C([C@H]1CN2CCCN1CC2)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952891174 BLJZHNIVRPSMPE-LJQANCHMSA-N 393.495 1.030 0 50 GDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cccnc1N1CCN(C)CC1 1875314474 AOSMRVGQHVUNQJ-CABCVRRESA-N 398.511 1.519 0 50 GDAA O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 1875329390 SYQZZTQDRIWZCZ-ARFHVFGLSA-N 386.464 1.693 0 50 GDAA Cc1ccc(CNC(=O)CCS(=O)(=O)NC(=O)Cc2ccc(C)cc2)cc1 1875327153 SFCXAHASMPJQKI-UHFFFAOYSA-N 388.489 1.998 0 50 GDAA CC[C@H](C)CC(=O)N1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 1875330438 XTFOAVZVIGVPIO-YOEHRIQHSA-N 376.501 1.794 0 50 GDAA O=C1[C@H](N2CCc3c(O)nc(O)nc3C2)CCN1c1ccc(Cl)cc1F 1875307795 KSKUIFYFMIXKRM-CQSZACIVSA-N 378.791 1.844 0 50 GDAA Cc1nc(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)c2n1CCN(C)C2 1875394639 QIURNQMYRVGLDB-UHFFFAOYSA-N 380.456 1.094 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC(c3nc(C)c(C(N)=O)s3)CC2)CC1 1875384304 DTKAFPMXIZCTED-UHFFFAOYSA-N 390.509 1.681 0 50 GDAA O=C(CCc1cncc(Br)c1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402956 NMEZCBNNBNCREI-FVQBIDKESA-N 393.285 1.929 0 50 GDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC(CNC(=O)c2ccccc2)CC1 952976566 WOGXALLFQKPEOP-SFHVURJKSA-N 395.525 1.484 0 50 GDAA CCNC(=O)c1cc(NC(=O)[C@H]2CCC(=O)N(CCOC)C2)ccc1Cl 952988513 OIAIPHAGKYXLKA-LBPRGKRZSA-N 381.860 1.913 0 50 GDAA Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)C[C@H]2CO)cn1 275313349 OBUXRBGSFJWUCL-HKUYNNGSSA-N 375.494 1.696 0 50 GDAA Cc1ccc(N2CCCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nn1 109634930 LMEXBJMBGDQNTL-UHFFFAOYSA-N 378.436 1.234 0 50 GDAA Cc1nc(O)nc(O)c1CCC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 771657132 YCPSIFIVYNOTSI-UHFFFAOYSA-N 389.427 1.864 0 50 GDAA COc1ccccc1CNC(=O)CN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529138463 CNVLNSCBKBWPHY-JTHBVZDNSA-N 398.503 1.599 0 50 GDAA COc1cccc(CN2CC[C@]3(CNC(=O)CO3)C2)c1OCCn1ccnc1 1772816702 ZFONWZAPKYQWSA-FQEVSTJZSA-N 386.452 1.062 0 50 GDAA C[C@@H](NC(=O)c1cc(N2CCOCC2)no1)c1ccc(S(C)(=O)=O)cc1 1772809044 KQBAQYKRTRBUEX-GFCCVEGCSA-N 379.438 1.406 0 50 GDAA Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCOCC1 12004295 HBIROPMPRHKQRC-UHFFFAOYSA-N 388.511 1.254 0 50 GDAA COc1ccc(CNC(CO)CO)c(OC[C@H](O)CN2CCCCCCC2)c1 12209817 VGRLMPWZACFLSV-LJQANCHMSA-N 396.528 1.144 0 50 GDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 12317048 GFBCFULLDHPVJH-GOSISDBHSA-N 383.496 1.868 0 50 GDAA COc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)c1 14744185 RLVXTVUNYZXCFY-WDSOQIARSA-N 399.491 1.863 0 50 GDAA O=C(CN1CCCCC1)NCc1cccnc1N1CCN(c2ccccn2)CC1 15067360 KQBFSWHGPWRKIH-UHFFFAOYSA-N 394.523 1.905 0 50 GDAA Cc1csc(NC(=O)CNC(=O)CC(C)(C)c2oc(C)cc(=O)c2O)n1 1857526339 BKXSJIQOJUGBHM-UHFFFAOYSA-N 379.438 1.841 0 50 GDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NC3CCCC3)n2)cc1OC 1857681587 ANYYHWXFTOJSMN-CYBMUJFWSA-N 387.484 1.965 0 50 GDAA Cc1cnc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cc(C)oc3C)[C@@H](O)C2)cn1 1857707177 HJNSYABMFLUBNE-WBAXXEDZSA-N 386.452 1.571 0 50 GDAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CC(=O)N(c2nccs2)C1 1857717155 MVZKOAXZVOLCTF-OAHLLOKOSA-N 385.493 1.672 0 50 GDAA O=C(CN1CCCCC1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857738998 IEFOROHHXLVFAY-FGTMMUONSA-N 391.899 1.983 0 50 GDAA CC(=O)N1CCC[C@]2(CCc3c(N(C)CC(N)=O)nc(-c4cccnc4)nc32)C1 1875248203 CSWRHFOZZFRDHX-NRFANRHFSA-N 394.479 1.286 0 50 GDAA COc1ncccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 222247793 KXGHLFKBWJHHEW-PBHICJAKSA-N 383.452 1.509 0 50 GDAA O=S(=O)(c1ccc(F)cc1Cl)N1CCN(c2ccc3nncn3n2)CC1 128470485 RHCBSAGJYMZTJW-UHFFFAOYSA-N 396.835 1.428 0 50 GDAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)CN2CC3(CCNCC3)OC2=O)C1 23380020 MTFSWFVFLVUGOC-KRWDZBQOSA-N 385.464 1.682 0 50 GDAA CCNC(=O)COc1ccc(CN=c2[nH]c3cc(C(=O)OC)ccc3n2C)cc1 2325789500 UMOFGDOLESMBKY-UHFFFAOYSA-N 396.447 1.909 0 50 GDAA Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)no1 1070411 FXIKSKGBJSXUFX-UHFFFAOYSA-N 385.829 1.910 0 50 GDAA CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)c(C)n23)n(C)c1=O 4250736 QGVPAYFRXMQATP-UHFFFAOYSA-N 395.419 1.319 0 50 GDAA COCc1cc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)ccc1OC 104486675 HIBORTYTJITDMT-OAQYLSRUSA-N 391.556 1.804 0 50 GDAA O=C(NCc1ccccc1CN1CCOCC1)N1CCC[C@@H](Cn2ccnn2)C1 120609875 HRKACJBFXIALNP-GOSISDBHSA-N 398.511 1.732 0 50 GDAA CN1CCN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)C[C@H]1CCO 106991270 CIASAFJCXMRBDP-HXUWFJFHSA-N 378.480 1.891 0 50 GDAA CN1CCN(Cc2ccc(CNC(=O)c3cnn(C)c3-n3cccc3)cc2)CC1 121188024 WJSQQMFDEBZOGA-UHFFFAOYSA-N 392.507 1.888 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)CCc1cn[nH]c1)CO2 67559966 DBXQSUOJHUVWRA-INIZCTEOSA-N 385.468 1.400 0 50 GDAA Cc1ncc(S(=O)(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)s1 330302368 OIQKFUYMVKCDON-IAQYHMDHSA-N 383.499 1.052 0 50 GDAA O=C(c1cc(Cl)cc2cccnc12)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 333782833 VSSBKIZFKDJCHA-LSDHHAIUSA-N 380.853 1.916 0 50 GDAA Cn1ncc2c(N3CCCN(C(=O)C4CC4)CC3)nc(-c3cccnc3)nc21 72164734 PDFNSFGZMWXLBB-UHFFFAOYSA-N 377.452 1.874 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)Cc3ccsc3)CC2)C1 71745458 DAYINPCFELWQQO-KRWDZBQOSA-N 393.553 1.756 0 50 GDAA O=C1CC[C@@H](NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C(=O)N1 152163922 WNTBGVRQFQYHRE-GFCCVEGCSA-N 399.407 1.670 0 50 GDAA CCCN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CCCC[C@@H]1O 72115994 SLDOYPVPDXQHIF-HOTGVXAUSA-N 375.535 1.047 0 50 GDAA CC(C)[C@@H]1CN(Cc2nc(C(N)=O)no2)CCC(=O)N1Cc1ccc(F)cc1 71754477 IIXYWRYWZVJTAF-HNNXBMFYSA-N 389.431 1.567 0 50 GDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 262833631 QPEHAEHSLNQQHT-ICSRJNTNSA-N 398.463 1.787 0 50 GDAA COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 14975480 NXCDTAUNBYSGFP-IBGZPJMESA-N 397.475 1.600 0 50 GDAA Cc1nccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 193595344 FKKJMOALRRSJJY-AWEZNQCLSA-N 390.509 1.970 0 50 GDAA COCCn1nnc2c1CCN(CC(=O)N1CCC(Cc3ccccc3)CC1)C2 293161237 FONAMIMGPVJGMI-UHFFFAOYSA-N 397.523 1.764 0 50 GDAA O=C(C[C@H]1COCCN1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91908393 BVQPQJNBPIENSM-IBGZPJMESA-N 385.508 1.796 0 50 GDAA Cn1cc(CNC(=O)c2cccc(-c3nccc(N4CC[C@@H](O)C4)n3)c2)cn1 426370311 HUMLKVOSOLSAPV-QGZVFWFLSA-N 378.436 1.378 0 50 GDAA O=C(CN1CCN(c2ncccn2)CC1)NC[C@@H]1CCCN(c2ccccn2)C1 95385240 OIQPNMHBTVEEMG-SFHVURJKSA-N 395.511 1.026 0 50 GDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccn1C(C)C)CC2 95522150 PUUZGENINBAMQZ-UHFFFAOYSA-N 399.495 1.955 0 50 GDAA CN1CCN(C[C@@H]2CN(C(=O)c3cc4c(Cl)cccc4[nH]3)C[C@@H]2CO)CC1 91563099 HUDRRGPMYAGUOZ-HUUCEWRRSA-N 390.915 1.749 0 50 GDAA CSCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230214406 IXFIHWRPDKBTRF-CHWSQXEVSA-N 380.466 1.041 0 50 GDAA CN1CC[C@@](C)(CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96131751 LTURACCRUSRLBT-IBGZPJMESA-N 377.489 1.429 0 50 GDAA COc1cccc2c1OC[C@H](CNC(=O)c1cn([C@H]3CC[C@@H](N)CC3)nn1)C2 244811717 SJVNNZLCELYHQG-CWRNSKLLSA-N 385.468 1.710 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc3ccccc3n(C)c2=O)C1 252540616 PRMRGZRATPQLLA-HDJSIYSDSA-N 381.436 1.318 0 50 GDAA Cc1sc(-n2cnnn2)c(C(=O)NCCc2nc(-c3ccccn3)no2)c1C 524735415 BAUKBADVQHNJOF-UHFFFAOYSA-N 396.436 1.758 0 50 GDAA Cc1c(Cl)cccc1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299762175 LPZSFQKJDOUBER-UHFFFAOYSA-N 382.873 1.550 0 50 GDAA CCc1nc(CN2CCC(CNC(=O)c3cn(-c4ccccc4)nn3)CC2)no1 823576192 TVCNIOYUDAMTCF-UHFFFAOYSA-N 395.467 1.855 0 50 GDAA NC(=O)[C@@H]1C(=O)N(CCc2ccco2)[C@@]23CCOC[C@H]2[C@H]1c1ccccc1O3 826828551 WAFGNQQTCIYZCS-NWUWZPLHSA-N 382.416 1.675 0 50 GDAA biogenic O=C(CNS(=O)(=O)c1ccc(F)cc1)NC[C@]1(c2ccccc2)CCOC1 1875297541 VVHAPEKCZTUZSH-LJQANCHMSA-N 392.452 1.579 0 50 GDAA Cn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccc4c(c3)CCC4)C2)c(=N)[nH]1 1875329552 CLLKPNMTBKZCJQ-DYVFJYSZSA-N 381.480 1.650 0 50 GDAA Cc1nc(CC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)COCC4CC4)C3)C2)n[nH]1 1875322112 IPBZCAFHQKDFKZ-SJORKVTESA-N 389.500 1.169 0 50 GDAA CN(C)CC1(C(=O)NC[C@@H]2CN(C(=O)c3cc4cnccc4[nH]3)CCCO2)CC1 1875332492 VFZWWJVAFCBZIK-MRXNPFEDSA-N 399.495 1.252 0 50 GDAA COc1ncc(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1C(F)(F)F 1875402803 LXJPZVIBZIAGHK-LERXQTSPSA-N 384.358 1.875 0 50 GDAA COc1ccc(CCNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1S(N)(=O)=O 888101680 OAFPTFKLJUIIHJ-OLZOCXBDSA-N 385.486 1.094 0 50 GDAA Cc1cc(CN2CCC(c3ncc(C(=O)N4CCNC(=O)[C@H]4C)o3)CC2)on1 888103423 ZSDHTSIXTARLSC-CYBMUJFWSA-N 387.440 1.311 0 50 GDAA CNS(=O)(=O)c1ccc(NCC2(CN3CCOCC3)CCCCC2)nc1 301566613 KVQMQDJPJYTLOZ-UHFFFAOYSA-N 382.530 1.684 0 50 GDAA COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@H]3CO)ncn1)C[C@H]2O 225419468 FQZBALRCYZECSB-DZGCQCFKSA-N 386.452 1.509 0 50 GDAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CCO2)cn1 189220087 SDXIPMGYPKTJLL-MRXNPFEDSA-N 392.437 1.110 0 50 GDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N(C[C@@H]3CCC(=O)N3)C(C)C)o2)c1C 1506421408 HVXDIHHWRMAKJA-ZDUSSCGKSA-N 380.470 1.964 0 50 GDAA O=C(c1ccccc1)N1C[C@@H]2CN(c3ncc4c(n3)CCCC4)C[C@]2(CO)C1 1772812201 INOHTCJJJRVUSN-GCJKJVERSA-N 378.476 1.926 0 50 GDAA CCc1nc(CN2CCCN(C(=O)COc3ccc(F)cc3F)CC2)n[nH]1 1772808303 MEUYBLGGVJBXDE-UHFFFAOYSA-N 379.411 1.759 0 50 GDAA Cc1ccccc1Cn1c(S[C@@H](C)C(=O)O)nc2c1c(=O)n(C)c(=O)n2C 5093148 VZSDNBRARPSZFB-NSHDSACASA-N 388.449 1.356 0 50 GDAA biogenic Cc1nnc(SCc2ccc(CSc3nnc(C)c(=O)[nH]3)cc2)[nH]c1=O 13659218 NNHZDTUZAMZBMB-UHFFFAOYSA-N 388.478 1.845 0 50 GDAA O=C(Cn1nnnc1CN1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 19220491 PXGIVFLHDUYSTM-RMKNXTFCSA-N 395.511 1.127 0 50 GDAA C1CCC(Nc2nc3nonc3nc2N2CCC[C@H](CN3CCOCC3)C2)C1 19226732 BBJLVCWCRDCXNC-CQSZACIVSA-N 387.488 1.916 0 50 GDAA O=C([C@H]1CCn2nccc2C1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1857698147 FTLSJVOUBIYOAI-JTQLQIEISA-N 386.403 1.665 0 50 GDAA COCc1nnc(N2C[C@H](C(=O)NCCCOC3CCCC3)CC2=O)s1 1857718758 RQWATYZASBAFQF-GFCCVEGCSA-N 382.486 1.503 0 50 GDAA Cc1cc(C)cc(CN([C@@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)c1 328611761 MQEQBLPJLKRVNW-QGZVFWFLSA-N 390.509 1.994 0 50 GDAA COC(=O)[C@@]1(CO)N[C@@H](c2ccccc2-c2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 247843011 OOTJHAKFLCVADV-ORGXJRBJSA-N 394.427 1.133 0 50 GDAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 262964472 KRUGXYJSXUJQFR-ZWNOBZJWSA-N 387.219 1.658 0 50 GDAA O=C(CCC(=O)N1CCC[C@@H]1CN1CCOCC1)N1CCC(c2ccccc2)=N1 266326891 JKOQOWXYWWMVMJ-LJQANCHMSA-N 398.507 1.726 0 50 GDAA CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1 4742953 XUKCIKFDZYKVGA-UHFFFAOYSA-N 390.889 1.654 0 50 GDAA Cn1c(C(F)(F)F)nc2cncc(C(=O)NCc3cnn4c3CNCC4)c21 2325759885 LXMIIQXQJFPFBF-UHFFFAOYSA-N 379.346 1.217 0 50 GDAA CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H](N)CCC(=O)O)CC2)n1 2325829634 OGFAMLBIASGRCW-LBPRGKRZSA-N 383.470 1.293 0 50 GDAA O[C@H]1[C@@H]2C[C@H](C[C@@H]2N=c2cc[nH]c3ccc(I)cc23)[C@H]1O 2325839968 KSXQXNHTODOLMQ-YDCQJYEZSA-N 396.228 1.803 0 50 GDAA Cc1ncsc1CCCNC(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 23338084 HKNVXSOMKCFMBZ-MRXNPFEDSA-N 394.541 1.071 0 50 GDAA CCOC(=O)[C@]1(CC(C)=O)C[C@@H]2C(=O)[C@@](CC(C)=O)(C(=O)OCC)C[C@@H]2C1=O 2519599 JWJRVIQMIBCLPI-WZBLMQSHSA-N 394.420 1.222 0 50 GDAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)COC2=O 2842315 GFFHAHNMJVVJEG-UHFFFAOYSA-N 390.359 1.978 0 50 GDAA CC[C@@H](C)C(=O)C(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11840720 IGIGDWUXNBXTKY-WBVHZDCISA-N 387.480 1.967 0 50 GDAA NC(=O)[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1 11957814 NLLOVNLQEGNRRH-GFCCVEGCSA-N 381.358 1.683 0 50 GDAA CCN(CCO)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 12430212 RQOHEBIYZMNTND-UHFFFAOYSA-N 381.498 1.166 0 50 GDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1 14879774 YDDOEHMNGCRGRA-UHFFFAOYSA-N 395.460 1.364 0 50 GDAA Cn1nc(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)ccc1=O 14949240 KACLIVRBHMILKC-GFCCVEGCSA-N 381.358 1.593 0 50 GDAA CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21 16730823 OERCPNAHYRFVQC-PEZBUJJGSA-N 388.408 1.073 0 50 GDAA CCc1nc(C)c(C(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)s1 23337769 YBKZHRVXKLJVOG-CQSZACIVSA-N 391.497 1.133 0 50 GDAA NC(=O)c1ccc(N2CCC(Cc3nnc(CO)n3-c3ccccc3)CC2)nc1 55168101 CVSWYJGGEFZXDJ-UHFFFAOYSA-N 392.463 1.713 0 50 GDAA COCCN(C)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1OC 55182853 UROJTUFQHBLVSR-DBWMJRBXSA-N 375.469 1.004 0 50 GDAA CSc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)c1 65362634 LJKKSAOLNHULQP-UHFFFAOYSA-N 393.490 1.912 0 50 GDAA Cc1ccc(CN2CCN(c3nccc(N4CCC(O)CC4)n3)CC2=O)cc1 65404606 WAJJHTQLVORTFR-UHFFFAOYSA-N 381.480 1.595 0 50 GDAA O=C(NCCO)c1cn([C@H]2CCCN(c3ncccc3C(F)(F)F)C2)nn1 67743226 CUZISWBJJAVOHM-NSHDSACASA-N 384.362 1.256 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccco2)c(F)c1 72125670 OTMMWQWMQXHIEH-KRWDZBQOSA-N 375.400 1.434 0 50 GDAA O=S1(=O)C[C@@H]2[C@H](C1)N(CCCc1ccccc1)CCN2Cc1ccccn1 72477846 ANPRAXVXAHRYAM-LEWJYISDSA-N 385.533 1.998 0 50 GDAA O=C(c1cscn1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72478833 AIFIAGUXVTWTTF-CVEARBPZSA-N 377.491 1.267 0 50 GDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCSCC3)[C@@H]4C2=O)c1 77319608 PQOVAQNMBIPDBW-OOSNJVJTSA-N 384.501 1.852 0 50 GDAA CCCc1nc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77555952 CSWRTIQONRLFID-CABCVRRESA-N 385.555 1.675 0 50 GDAA O=C(O)[C@@H]1CC2(CCN(C(=O)NCc3ccco3)CC2)CN1C(=O)C1CC1 91305910 DKAZBEWIZXLKEM-HNNXBMFYSA-N 375.425 1.667 0 50 GDAA Cc1ccc2nc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)cn2c1 91435208 WRYWPGURTVHQGK-UHFFFAOYSA-N 376.424 1.351 0 50 GDAA Cc1cnc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)cn1 91586444 XAELUMRAAHCLKP-UHFFFAOYSA-N 394.479 1.824 0 50 GDAA O=C(CCc1ccc(O)cc1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91860127 ZBBZCQCTZIAQMB-QUCCMNQESA-N 376.497 1.647 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(Cl)s3)cc2C1 92037848 YMDHXULHNZAPJI-UHFFFAOYSA-N 388.902 1.693 0 50 GDAA COCCN1C[C@@]2(CCCN(Cc3cc(=O)n4ccccc4n3)C2)CCC1=O 92046362 LKYYTHRDJZNTRT-NRFANRHFSA-N 384.480 1.546 0 50 GDAA COc1cc(F)c(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1OC 95353348 RZILUODMVHSRPM-ZDUSSCGKSA-N 380.416 1.740 0 50 GDAA CN(C)CCOc1cccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1 95363158 GTBPBHSOKXLXJP-SFHVURJKSA-N 389.496 1.525 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)N1CCCC1=O)CC2 95503819 QBDAQRPSIKCDPJ-CQSZACIVSA-N 387.484 1.033 0 50 GDAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 95508313 CCSXHVAQZZULLO-MRXNPFEDSA-N 391.493 1.953 0 50 GDAA CCn1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H](C)COC)c2)cn1 97553359 LMJHFOOFKLSBOV-ZDUSSCGKSA-N 380.470 1.146 0 50 GDAA C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)o1 123563410 RBVAEIFXJYLLIK-PFQLFBTASA-N 380.510 1.994 0 50 GDAA C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cncs1 170607756 USNKLGTWSYBJEQ-LBPRGKRZSA-N 381.479 1.655 0 50 GDAA O=C1CN(c2ccc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)cn2)CCN1 170789065 GTTDSPWNOSXHHW-LJQANCHMSA-N 383.427 1.589 0 50 GDAA O=C(c1ccc2nccnc2c1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(C(=O)O)C1 215046395 KTAHITOVSPPDOF-XOBRGWDASA-N 392.419 1.012 0 50 GDAA O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CCOC[C@H]1OCC1CC1 223704415 HILKGDPYSPREET-NVXWUHKLSA-N 377.416 1.919 0 50 GDAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 238075402 UQMBESWRBRFWMN-ZWNOBZJWSA-N 381.226 1.878 0 50 GDAA COC(=O)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239174080 PFLCMTJFUCNZPF-OZINRZGZSA-N 381.384 1.432 0 50 GDAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCC[C@H]1C1OCCO1)C2=O 241707030 QMCQUSJLXCMEOJ-BIENJYKASA-N 379.457 1.241 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C)C1 244811823 SLSXJQCYTRUXMK-WKILWMFISA-N 394.479 1.715 0 50 GDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(CCCOc1ccc(F)cc1)C2 248034808 UMLSPXZXHUCYCI-WBVHZDCISA-N 377.460 1.606 0 50 GDAA Cc1c(Br)cccc1C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 275484312 ADQCXVUPNYRMIW-GFCCVEGCSA-N 385.258 1.615 0 50 GDAA CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1C(=O)O 284959549 FGVXCHMBSAUILC-CVEARBPZSA-N 395.481 1.512 0 50 GDAA CN(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 287565774 XLTHLUSHPXWUSM-MRXNPFEDSA-N 392.456 1.366 0 50 GDAA COc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1OC 299746016 USSZJAZASUQGBO-LLVKDONJSA-N 388.376 1.664 0 50 GDAA O=C(CN(C[C@H]1CCCO1)c1ccc2nnc(C(F)F)n2n1)N1CCCC1 329108533 INMGQQVNYHHVPG-GFCCVEGCSA-N 380.399 1.670 0 50 GDAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@H]2COCCN2CC2CCC2)C1 329496398 IZMCSOBGQQIXIT-QZTJIDSGSA-N 388.512 1.628 0 50 GDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ncnc(O)c3C2)cc1C 330044842 FYTBFJMYVITYOZ-UHFFFAOYSA-N 390.465 1.004 0 50 GDAA Cc1nnnn1-c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1 362197687 CLTMJIUSCBTUJE-UHFFFAOYSA-N 375.392 1.709 0 50 GDAA CCc1noc([C@]2(O)CCN(C(=O)NCc3ccnc(OC(F)F)c3)C2)n1 375223771 XCARKASBZNFRFG-INIZCTEOSA-N 383.355 1.432 0 50 GDAA CCN1CCN(C(=O)[C@@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)CC1 377562014 DMYZDHIVENBEKN-LJQANCHMSA-N 390.576 1.524 0 50 GDAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1ccccc1Cn1cccn1 426547495 AQGAPJVLFLHNGV-GOSISDBHSA-N 378.480 1.911 0 50 GDAA CO[C@H](CS(=O)(=O)Nc1nnc(-c2ccc(F)cc2F)o1)[C@H]1CCOC1 864096892 RGAKIVOXADNJPC-TVQRCGJNSA-N 389.380 1.808 0 50 GDAA COc1cccc(C(F)(F)CNC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)n1 888101659 NJCXJLYBPBMIES-GHMZBOCLSA-N 377.413 1.447 0 50 GDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccnc(N3CCCC3)n2)C1 1327665149 BPKWYMCUTQGCFZ-AWEZNQCLSA-N 383.456 1.778 0 50 GDAA O=C(Nc1cnc2ccccn12)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1339077390 ITCPYQIOWHOKDC-GDBMZVCRSA-N 382.395 1.616 0 50 GDAA CNC(=O)[C@H]1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)C1 1704310010 WCRVHOVTVBYJFM-LBPRGKRZSA-N 390.415 1.763 0 50 GDAA Cc1cc(C[C@@H]2CN(C(=O)CCCn3cnc4ccccc4c3=O)C[C@H]2O)n[nH]1 1704350694 PDWUZJJGSHEMDD-DNVCBOLYSA-N 395.463 1.270 0 50 GDAA OC[C@H](O)C1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)CC1 1772707062 SKAWXYPCWMKDPW-QFIPXVFZSA-N 392.540 1.743 0 50 GDAA CN(C)C[C@@]12CN(C(=O)C3CC=CC3)C[C@@H]1CN(C(=O)C1CCOCC1)C2 1772711815 KNZOOWFXFJQKQX-NQIIRXRSSA-N 375.513 1.228 0 50 GDAA O=C(NCc1ccc(CO)cc1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772813695 PDTMSWXEXKKLHT-MRXNPFEDSA-N 387.505 1.893 0 50 GDAA O=C(c1ccn(C(F)F)n1)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772818866 MKCKIYRPSHAYSP-ACJLOTCBSA-N 377.395 1.240 0 50 GDAA Cc1nc(C)c(C(=O)N2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)o1 1775979173 GHAHQSPWTAIIEX-UHFFFAOYSA-N 381.458 1.168 0 50 GDAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857700615 XKANYZSTCFMCQQ-STQMWFEESA-N 387.465 1.234 0 50 GDAA CCc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)n(C)n1 1875278982 ZZKBJCKQBOXYRF-QWRGUYRKSA-N 397.423 1.269 0 50 GDAA C[C@]12CN(C(=O)NC3CCN(c4ccc(F)cc4)CC3)C[C@]1(C)C(=O)NC2=O 1875294053 LOLZUXKURJJNOW-WOJBJXKFSA-N 388.443 1.489 0 50 GDAA COC(=O)c1cc(Br)cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1 1875299649 QVHKYVCFOPDWEF-INIZCTEOSA-N 396.241 1.410 0 50 GDAA CNC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)CCSc2ccccc2)CC1 1875346065 RNHDMUGLBMNPGO-JKSUJKDBSA-N 389.521 1.849 0 50 GDAA CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cccnc2)c1 1875389704 YVWXZSHYTHFBOV-UHFFFAOYSA-N 376.438 1.737 0 50 GDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ncc(-c3ccccc3)[nH]2)ncn1 1875397462 AVSDQWALYNEARR-IAGOWNOFSA-N 393.495 1.662 0 50 GDAA Cc1nc(C(=O)N2CCOc3c2c(C)nn3C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403398 VRNGBMUYZSRUOY-OAHLLOKOSA-N 399.499 1.315 0 50 GDAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)Cn2nnnc2-c2ccccc2)o1 1875404472 KDULXMOYLGOJPQ-LIRRHRJNSA-N 379.424 1.823 0 50 GDAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4ccc(F)s4)cccc3C2=O)C(=O)N1 2325895873 LNDOMTLQTFUJGN-GFCCVEGCSA-N 387.392 1.901 0 50 GDAA CC[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](NC(=O)CN3CCCCC3=O)c3nccn32)C1 2332237789 LIUJXVIFPHOTRM-OAGGEKHMSA-N 399.495 1.040 0 50 GDAA CCOC(=O)c1ccc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 986485 AGKUBNXBWJATNW-MRXNPFEDSA-N 391.493 1.883 0 50 GDAA O=C(O)COc1ccccc1CN1CCc2nc(C3CCOCC3)nn2CC1 2356149564 JADFGMNMDHSAEG-UHFFFAOYSA-N 386.452 1.694 0 50 GDAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1 4811273 YACIOFCBKYFKNK-UHFFFAOYSA-N 396.509 1.844 0 50 GDAA COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCN(C)CC3)c(C)o2)cc1 20241434 GWTJXPXRBIJBPX-HHHXNRCGSA-N 391.493 1.681 0 50 GDAA O=C(c1cncnc1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 20513717 DDZQDQZGZLACAL-MOPGFXCFSA-N 375.432 1.811 0 50 GDAA CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1nnc2n1CCNCC2 67642493 QZJBFJCIOHBHRO-VEMDQMBVSA-N 375.498 1.711 0 50 GDAA O=S(=O)(c1cccc2c1OCCO2)N1C[C@H](c2ccsc2)[C@@H](CO)C1 328614878 XDCSAOLPWKLVES-ZIAGYGMSSA-N 381.475 1.916 0 50 GDAA Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cc(=O)[nH]1 67983475 QIZLNMGYTMUQEO-UHFFFAOYSA-N 393.447 1.636 0 50 GDAA C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C 252508444 XNLRMZIVIJXLQZ-LLVKDONJSA-N 383.378 1.822 0 50 GDAA COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 35269377 UMELEMYFTQNNHS-UHFFFAOYSA-N 389.477 1.884 0 50 GDAA Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 72446716 TYRMJNQCDSAVDV-DLBZAZTESA-N 397.541 1.705 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)CC1(CO)CC1)CO2 71764421 UQLOZIJGAAAYSL-HNNXBMFYSA-N 375.469 1.207 0 50 GDAA Cc1noc([C@@H]2CN(S(=O)(=O)c3ccc4ncsc4c3)CCN2C)n1 284973571 KSPCQYMBSCSMME-ZDUSSCGKSA-N 379.467 1.665 0 50 GDAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1cccc2c1CCN2S(C)(=O)=O 367229324 DOVDSHGDAQDZDR-HNNXBMFYSA-N 389.481 1.941 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 77374997 NQEZIDQCSQLLKG-HNNXBMFYSA-N 388.489 1.934 0 50 GDAA C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 154801065 ZFURDZWEVJGKRT-OAHLLOKOSA-N 399.520 1.974 0 50 GDAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)CCO)CC1)c1ccccc1 71762100 MTABDSXKOUJFGG-LJQANCHMSA-N 386.452 1.755 0 50 GDAA CNS(=O)(=O)c1cc(C(=O)NCCN2CCc3ccccc3C2)c(C)o1 175205713 VCIFNINJHJZTAW-UHFFFAOYSA-N 377.466 1.284 0 50 GDAA COc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)c(OC)c1 72145876 ZJZYRFBTDOWPLG-INIZCTEOSA-N 376.453 1.644 0 50 GDAA CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2csc(C(=O)O)c2)C1 378254564 SBGLHPKVNACRQK-GFCCVEGCSA-N 380.447 1.702 0 50 GDAA COc1ccc(NC(=O)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cc1OC 378253248 LYNPIDAMRGBZJR-GOSISDBHSA-N 376.413 1.640 0 50 GDAA Nc1nnc(SCC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)s1 220452178 BXPACFKKJPKSCK-NEBZKDRISA-N 376.507 1.975 0 50 GDAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)Cc1cn2ccsc2n1 426646967 DSOPXMDBETXDEC-CYBMUJFWSA-N 386.481 1.803 0 50 GDAA CCc1nc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)ncc1C 426712781 PYSHHRCMLMZYQQ-MRXNPFEDSA-N 385.516 1.692 0 50 GDAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC(=O)N(CC(F)(F)F)C1 268891399 KWQHNPQWRGECPP-SMDDNHRTSA-N 397.353 1.691 0 50 GDAA Cc1cc(C)n2nc(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)cc2n1 96138495 GSXFRLUNGCTJPH-UHFFFAOYSA-N 381.440 1.048 0 50 GDAA COCc1nc(N2CCCN(Cc3ccccn3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244899425 ZJSGWAXGAPKPAA-CALCHBBNSA-N 382.512 1.935 0 50 GDAA CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c(Cl)cccc21 253381304 DGXGCAYWNCVGJG-LNUMWUMJSA-N 391.855 1.241 0 50 GDAA O=C(NCc1nc2ccccc2o1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1940193573 BQNFCGHFESUFID-UXHICEINSA-N 392.415 1.970 0 50 GDAA CC(C)Cn1nnc2c1C[C@H](c1nc(CS(=O)(=O)NC3CC3)no1)CC2 952893178 IAVNLHPODZQUTF-LLVKDONJSA-N 380.474 1.171 0 50 GDAA Cc1nc(N2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c2cc[nH]c2n1 1875258247 NUUBFPPKHOZNCD-CQSZACIVSA-N 396.417 1.942 0 50 GDAA O=C(CN1CCC[C@@]2(CCN(C(=O)c3ccc4oc(O)nc4c3)C2)C1)N1CCC1 1875338948 QUVPAABPHAGQQF-OAQYLSRUSA-N 398.463 1.694 0 50 GDAA CCn1c(=O)c(=N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)[nH]c2ccccc21 1875398997 LDLKKKFKWOONFB-SRCQZFHVSA-N 387.871 1.940 0 50 GDAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 1875382216 VEPMHMYOOBJZPF-QKVFXAPYSA-N 375.372 1.977 0 50 GDAA CC[C@H](OC)C(=O)N1CC[C@@H](N(C)c2cc(C3CC3)nc(S(C)(=O)=O)n2)C1 1875330369 PHDWBACFKSUIKL-HIFRSBDPSA-N 396.513 1.220 0 50 GDAA O=C(N[C@H]1[C@@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)C[C@@H]21)c1ccc(F)cn1 1875325536 OIYHWWPTJDPWRL-JFRXWTBNSA-N 380.423 1.686 0 50 GDAA C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(C)(C)C3=CCNC3)CC2)C1 1875301403 ITTMQCSSHINWGT-SJLPKXTDSA-N 376.545 1.381 0 50 GDAA Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)cn1C1CC1 1875403263 RNKVJJBBBJDINN-XHBKTUGNSA-N 390.871 1.911 0 50 GDAA O=C(Nc1ccc(N2CCCCC2)c(F)c1)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 891773934 JFVXOBWTRUQFRH-QIIPPGSGSA-N 375.444 1.984 0 50 GDAA CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 302846765 KTQGEYJSVMTGQY-UHFFFAOYSA-N 389.362 1.689 0 50 GDAA C[C@@H](c1noc(-c2ccccc2)n1)N1CCN(C(=O)CN2CCOCC2)CC1 225618234 ALOUIIHZTRNRFF-INIZCTEOSA-N 385.468 1.274 0 50 GDAA Cc1cnccc1N1CCCN(c2cncc(C(=O)N3CCN(C)CC3)n2)CC1 1529100357 QRNIZDWFBMPENG-UHFFFAOYSA-N 395.511 1.284 0 50 GDAA O=S(=O)(CCOc1ccc(F)cc1)N[C@H]1COC[C@H]1Cc1ccncc1 1704339600 NLMMMTLYVRSIOC-QAPCUYQASA-N 380.441 1.777 0 50 GDAA Cc1[nH]nc2c1CN(C(=O)[C@H]1CCc3sc(N4CCOCC4)nc3C1)CC2 1772818469 FZGWJTMKBSFLQO-ZDUSSCGKSA-N 387.509 1.701 0 50 GDAA O=C(NCc1nnc2n1CCN(Cc1cccnc1)CC2)c1c(F)cccc1F 14882181 ZVMYFYKWZJCORS-UHFFFAOYSA-N 398.417 1.940 0 50 GDAA COC(=O)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 19744100 ADVQRWJGRWXKAZ-HNNXBMFYSA-N 399.495 1.956 0 50 GDAA Cc1cc(N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)nc(=N)[nH]1 1857726845 FSVUDCJYMQJGFV-UHFFFAOYSA-N 381.480 1.986 0 50 GDAA COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)c1 1875246672 JNYREHDBLUANET-JGGQBBKZSA-N 375.450 1.337 0 50 GDAA O=C(C[C@H]1CCOc2ccccc21)N1CCN(c2cncc3ncnn23)CC1 333305676 UKWGICYMUDKADH-OAHLLOKOSA-N 378.436 1.729 0 50 GDAA COCCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 262373609 KINMHSFDRSRZAJ-XIRDDKMYSA-N 395.477 1.965 0 50 GDAA Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)c(Br)c1 19808865 FGLPOFZZQXWALC-CQSZACIVSA-N 394.269 1.587 0 50 GDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CCCC(C(=O)O)C(=O)O)C1)CC2 1704326714 LUGCRCHYDUNKPT-IBGZPJMESA-N 376.457 1.388 0 50 GDAA CNC(=O)c1cc(NC(=O)c2nc(C(F)(F)F)cn2C)cc(C(=O)NC)c1 2325872648 IEDPTAGKSBZZQP-UHFFFAOYSA-N 383.330 1.410 0 50 GDAA CC1(C)[C@H](CNC(=O)c2ccc3ccncc3c2)C[C@H](C(=O)O)S1(=O)=O 2325874982 CNKYPPCZFTXIDR-LSDHHAIUSA-N 376.434 1.631 0 50 GDAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 840832 TVJPUSBAPFFRBO-UHFFFAOYSA-N 396.490 1.817 0 50 GDAA N=c1[nH]c2c(s1)CN(C(=O)c1cc3c(s1)CCOC31CCNCC1)CC2 2356144952 TYBOSMDEEMVVBL-UHFFFAOYSA-N 390.534 1.967 0 50 GDAA O=C(CCn1ccccc1=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356147671 ITGQQSGIQVQYHD-UHFFFAOYSA-N 377.448 1.506 0 50 GDAA Nc1cncc(-c2ccc(C(=O)NC3CCN(c4ncccn4)CC3)cc2)n1 2356149731 TVVVJZKAVRUEAZ-UHFFFAOYSA-N 375.436 1.915 0 50 GDAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ccnnc2)CCCN1 2356160393 QCWGRULYTVKHLF-LJQANCHMSA-N 381.480 1.940 0 50 GDAA COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 4251088 KKIIJZZHYRMMJK-UHFFFAOYSA-N 399.426 1.682 0 50 GDAA Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 6698663 GQRGWSKGYIVOOE-UHFFFAOYSA-N 396.490 1.817 0 50 GDAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCOCC1 7496636 JIPNKAYFZCXYJC-UHFFFAOYSA-N 391.449 1.041 0 50 GDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65470025 NRLYLLSZQQOUFS-INIZCTEOSA-N 379.888 1.920 0 50 GDAA O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCCN(c2cccnn2)CC1 119396936 UBMGQIMHQCGFCT-CQSZACIVSA-N 386.422 1.583 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 67602105 DVOPCKDLUYDXOF-UHFFFAOYSA-N 394.435 1.642 0 50 GDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2cc(F)ccc2F)cn1 328618957 FHOBQNCGIITFCE-INIZCTEOSA-N 383.420 1.722 0 50 GDAA CN1CCC(Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1 67713987 LBZLLKROXFBRMI-UHFFFAOYSA-N 387.528 1.525 0 50 GDAA Cn1cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(-c2ccccc2)n1 329265779 HEMDJPXSWLVNPB-MJGOQNOKSA-N 375.494 1.913 0 50 GDAA CN1CCC(N2C(=O)N[C@@](Cc3ccc(F)cc3)(C3CCNCC3)C2=O)CC1 67542010 CIBWJKJYIGHMJT-NRFANRHFSA-N 388.487 1.753 0 50 GDAA O=C(NCc1ccco1)N1CCC(n2cc(CN3CCSCC3)nn2)CC1 23153289 BEQMQOOPEFQASN-UHFFFAOYSA-N 390.513 1.967 0 50 GDAA Cc1cc(C)cc(CCC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 129074463 VWTHZWFHYCBRCI-UHFFFAOYSA-N 378.538 1.957 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(=O)NC1CCCC1 72430644 LCYRYHYWBPEFSB-KRWDZBQOSA-N 376.501 1.646 0 50 GDAA CCCc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CCc2ncccc2C1 77485572 RAWLJCFLWLFHRO-UHFFFAOYSA-N 377.448 1.966 0 50 GDAA O=C(c1ccc[nH]1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 77458636 LGZXROCGZKVPIS-UHFFFAOYSA-N 375.450 1.234 0 50 GDAA O=C(c1cccnc1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71753503 LQZPLWGWTSAPIQ-SFHVURJKSA-N 386.496 1.257 0 50 GDAA Cn1cc([C@@H](O)C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c(=O)n(C)c1=O 378259211 KUHVCNFAVGAIIY-SFHVURJKSA-N 397.475 1.088 0 50 GDAA CN(C)[C@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 426434802 DXOLICRLVVNSHT-KRWDZBQOSA-N 380.408 1.515 0 50 GDAA CCOC(=O)N1CCC(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)CC1 220096890 IMKILSUIKSPNRI-QGZVFWFLSA-N 388.472 1.135 0 50 GDAA CN(C)CCN1C[C@]2(CCCN(C(=O)CN3Cc4ccccc4C3)C2)CCC1=O 95523776 KXMWGAKCSCFOFP-HSZRJFAPSA-N 398.551 1.795 0 50 GDAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1ccc2c(c1)OCCO2 426739990 ZEILZEFGFCYBCT-HUUCEWRRSA-N 375.450 1.280 0 50 GDAA O=S1(=O)CCN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)CC1 95527998 VKUQYHYJPLOJQF-IBGZPJMESA-N 396.553 1.533 0 50 GDAA CC(C)c1nnc2n1C[C@H](NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)CC2 181753931 YFKUZVYRUXAUTJ-SJORKVTESA-N 396.495 1.989 0 50 GDAA NC(=O)c1ccc(NC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1Cl 96152186 NIRIJCSYTNFBTA-LLVKDONJSA-N 381.864 1.148 0 50 GDAA O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1 245255895 MFZZLUGTPFLFRI-SAABIXHNSA-N 387.480 1.198 0 50 GDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3ccc(C)cc3nc2O)c1O 253623799 MFSJNMFGHFHJHF-NSHDSACASA-N 397.387 1.849 0 50 GDAA biogenic O=C(NC1CCC1)[C@H]1CC[C@H]2OCCN(C(=O)c3onc4ncccc34)[C@@H]2C1 1940197717 LDCTYIQNSLHQBQ-APHBMKBZSA-N 384.436 1.901 0 50 GDAA CCN1Cc2nc(OC)c(CNC(=O)CSc3nnc(C)o3)cc2C1=O 299775240 JCVNPYGRHOTGIF-UHFFFAOYSA-N 377.426 1.166 0 50 GDAA CCn1ncnc1CN1CCC[C@H](CNC(=O)Cc2sc(C)nc2C)C1 823609853 UAXSCANMQHGUFV-OAHLLOKOSA-N 376.530 1.942 0 50 GDAA COCCn1nc2c(c1C(=O)NCC1(C3(O)CCC3)CC1)C[C@H](C)O[C@@H]2C 1875315855 KDBKVUFRLFPZII-UONOGXRCSA-N 377.485 1.977 0 50 GDAA CO[C@@H](C(=O)N1CCc2c(O)nc(O)nc2C1)c1ccccc1Br 1875307525 PECHZBFZTSRWDO-CYBMUJFWSA-N 394.225 1.923 0 50 GDAA O=C1NCCN(Cc2ccc(OCc3nn[nH]n3)cc2)[C@H]1Cc1ccccc1 1875331172 SPTCICQHPPQJMG-SFHVURJKSA-N 378.436 1.322 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cc4n(n3)CCC4)C2)c1C 1875397232 RBYABRQQAVMZNU-OAHLLOKOSA-N 383.500 1.306 0 50 GDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnc(-n2cccn2)c1 1875403523 VVXFVTCDGXNNJV-DAXOMENPSA-N 386.843 1.687 0 50 GDAA Cc1cc(NC(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@H]4C3)C2)cn2ccnc12 886071771 HGWOYPWITHYWSH-NJAFHUGGSA-N 396.495 1.992 0 50 GDAA O=C(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1C[C@H](CO)[C@@H](CO)C1 1565509304 QTKABLUEAXUSDL-QZTJIDSGSA-N 379.420 1.207 0 50 GDAA O=C(NCC(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1)c1ncccc1O 1469401784 PBXODOSZPHBDRB-QGZVFWFLSA-N 383.448 1.707 0 50 GDAA O=C(NCCc1ccc2[nH]ccc2c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 282489343 XJXFIEMCUZTQHH-KRWDZBQOSA-N 390.509 1.920 0 50 GDAA COCCOCCS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 225828864 VMPABOADOQAKMX-QGZVFWFLSA-N 394.578 1.173 0 50 GDAA CCc1cc(N2CCN(C3CCN(C(=O)c4ccncc4)CC3)CC2)ncn1 1506418370 HLRAJTBOBWLBQS-UHFFFAOYSA-N 380.496 1.861 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1Cc2ccccc2C1 1529180944 NUGQSGDAKXKECN-QGZVFWFLSA-N 388.493 1.814 0 50 GDAA CCOc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccc(OCC)cc3)[nH]c2=O)cc1 754982 ITACUZYKZQMZPS-IWGRKNQJSA-N 378.428 1.518 0 50 GDAA CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)cc1 1182910 RZYJHGXBJIHESO-BOPFTXTBSA-N 394.456 1.365 0 50 GDAA COC(=O)[C@@H]1CCCN1C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 12073759 LBUXGXWPJTZUPJ-INIZCTEOSA-N 387.436 1.960 0 50 GDAA CC[C@@H](C(=O)NCCCn1ccnc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715918 QBTMTSSYQJMBMF-INIZCTEOSA-N 382.461 1.773 0 50 GDAA CCN1CCN(CC(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)CC1 19228952 OYTDDHDNXVKRAI-KRWDZBQOSA-N 390.503 1.432 0 50 GDAA Cc1cccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)n1 19835632 OJRQTKIFYWDILS-KRWDZBQOSA-N 375.542 1.981 0 50 GDAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)N1CC(O)C1)C(=O)OC2 1857532071 HAIKJLWHSZBXGH-UHFFFAOYSA-N 375.421 1.852 0 50 GDAA COC(=O)CCN1CCC[C@@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1=O 1857532466 WYOCLZRPXDSRDZ-LZLYRXPVSA-N 382.407 1.939 0 50 GDAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(-c2ccccc2)nn1-c1ccccc1 1857672948 AWGAKCVFERLCSY-WMQCIHAUSA-N 393.443 1.780 0 50 GDAA CCNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)o3)[C@H]3CC[C@]2(C1)O3 1857729837 UMSKTHHRLYZYBN-NVAPZFDKSA-N 381.860 1.278 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCc2cccnc2)C[C@H]1NC(=O)c1nsnc1C 1875250484 DCKRWXFZYJYPTA-RRFJBIMHSA-N 389.481 1.471 0 50 GDAA Cn1c(=O)c2c(nc(NCCO)n2Cc2cccc3ccccc23)n(C)c1=O 2391940 WSYWILYLDARCLK-UHFFFAOYSA-N 379.420 1.039 0 50 GDAA biogenic Cc1nc(O)nc(C)c1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)NC(C)C 2356139826 ZPQJOGALULCDBA-HOTGVXAUSA-N 375.473 1.525 0 50 GDAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)nn2C 2356147039 FLASQUDCHGOJIW-UXHICEINSA-N 378.432 1.754 0 50 GDAA Cc1cc(C)cc(N2CCN(C(=O)c3c[nH]c4cc(C)nn4c3=O)CC2=O)c1 102452081 VCHCMJGMCUYOSS-UHFFFAOYSA-N 379.420 1.437 0 50 GDAA OC1CCN([C@@H]2CCN(Cc3ccc(CN4CCCC4)s3)C[C@H]2O)CC1 23337564 RTUNISSRHULSPQ-WOJBJXKFSA-N 379.570 1.736 0 50 GDAA C[C@H]1CN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C[C@@H](C)O1 67869093 MSOBZGXPFJLIAQ-CALCHBBNSA-N 388.512 1.632 0 50 GDAA CCc1ccccc1OCC(=O)N1CCC[C@H](N(CC(=O)O)C(C)=O)CC1 328634373 MSFMXWGDEBCAGN-KRWDZBQOSA-N 376.453 1.942 0 50 GDAA C[C@@H](Cn1cncn1)NCc1cccnc1N1CCN(c2ccccn2)CC1 67770052 RZTWGLLGABLMCF-KRWDZBQOSA-N 378.484 1.573 0 50 GDAA O=C(Nc1cnns1)c1ccc([C@H]2CCCN2C(=O)Cn2cncn2)s1 23128519 PAPDNBDEUXJDQM-SNVBAGLBSA-N 389.466 1.807 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)cc1C 12053001 CNMOUSDGOADSGL-KRWDZBQOSA-N 386.452 1.341 0 50 GDAA Cc1ccn2c(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)nnc2c1 121820213 KPSCYJDXFSKULV-AWEZNQCLSA-N 381.371 1.236 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1nc(N)nc(N(C)C)n1 72469335 OEQOBCLRBQTCLI-UHFFFAOYSA-N 380.456 1.181 0 50 GDAA COC(=O)C1(NC(=O)[C@H](C)c2cc3ccccc3o2)CCS(=O)(=O)CC1 253397216 XHYDZZOAMVJKGW-GFCCVEGCSA-N 379.434 1.773 0 50 GDAA C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462587219 IFZWWEFWLRCKFL-GDBMZVCRSA-N 381.448 1.648 0 50 GDAA CN(C)C(=O)N1CCC(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)CC1 262398025 NUPCMTRZCQLCJF-UHFFFAOYSA-N 377.441 1.502 0 50 GDAA CC(C)n1cc([C@@]2(O)CCN(C(=O)c3ccc4c(c3)NC(=O)CCN4C)C2)nn1 375404262 NKJASBJONBSGPO-HXUWFJFHSA-N 398.467 1.371 0 50 GDAA Cc1ncc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(-c2ccccc2)n1 216254760 QMHOXGFWISJIBI-UHFFFAOYSA-N 389.481 1.016 0 50 GDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)N1CCC(F)(F)CC1 77517023 AKTDLZJLSLFNMW-MKSNKDDYSA-N 389.402 1.621 0 50 GDAA CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc21 176743068 KALJEGJEUDWIHK-OAHLLOKOSA-N 375.454 1.391 0 50 GDAA CN1CCN(n2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)CC1 40391449 MTKPPJKHUSHPER-UHFFFAOYSA-N 379.399 1.129 0 50 GDAA CCc1nc2ccccc2n1CCC(=O)N1CCC(NS(C)(=O)=O)CC1 222762119 BGSAFHORWRSQQY-UHFFFAOYSA-N 378.498 1.529 0 50 GDAA O=C1C[C@]2(CCN(S(=O)(=O)c3ccc(-c4ccccn4)s3)C2)C(=O)N1 82134951 UONKTLXXXFPDTJ-INIZCTEOSA-N 377.447 1.237 0 50 GDAA C[S@](=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 267416081 YZWSACKTKHEKPO-QQGOOKMRSA-N 389.521 1.695 0 50 GDAA Cc1nnnn1CCC(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95518039 AHOVBEOSNGWVDS-INIZCTEOSA-N 380.456 1.418 0 50 GDAA COc1cc(C)c(CN2C[C@@H](CN3CCCN(C)CC3)[C@@H](CO)C2)cc1C 91306052 HTLLMSHRXMUBMP-NHCUHLMSSA-N 375.557 1.990 0 50 GDAA CS(=O)(=O)NCCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 95528378 SUBZESRUCPVFLJ-MRXNPFEDSA-N 390.461 1.603 0 50 GDAA COc1ccc(F)cc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 230539353 RMQQSYGOYOCTTD-QGZVFWFLSA-N 376.432 1.558 0 50 GDAA CCn1nc(C)c(NC(=O)N2CCO[C@H](Cc3nc(COC)no3)C2)c1C 96133193 BLWDAHFDNSKOFG-CYBMUJFWSA-N 378.433 1.525 0 50 GDAA CNC(=O)[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)CCO1 180238616 SYKWOHICUCHTLG-MRXNPFEDSA-N 388.493 1.428 0 50 GDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccn(C)n4)C3)CCC2=O)cn1 91574166 IZIKZJIWKMCJDB-HXUWFJFHSA-N 382.468 1.564 0 50 GDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccnc(-n3cnnc3)c1)CC2 91505081 IOUFFSBKZQSNOM-UHFFFAOYSA-N 378.440 1.005 0 50 GDAA Cc1cc(NC(=O)NC2CCN(C(=O)N3CCOCC3)CC2)n(C(C)C)n1 96141593 AXHRNXCRVAJGMT-UHFFFAOYSA-N 378.477 1.811 0 50 GDAA C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 180677065 VQYZYTHTMVLTGD-FZKQIMNGSA-N 377.460 1.182 0 50 GDAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)CCc3cnn(C)c3)C[C@H]21 96130928 RFZIXYIVXAZMEX-FOIQADDNSA-N 385.420 1.451 0 50 GDAA Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc(S(N)(=O)=O)c1C 268944250 LQMWRYAABYYPLE-MRXNPFEDSA-N 388.445 1.603 0 50 GDAA COCCc1noc([C@H]2CCCN(Cc3cc(=O)n4ccc(C)cc4n3)C2)n1 244691871 JKLMFAUMTSUGIO-HNNXBMFYSA-N 383.452 1.954 0 50 GDAA CCN(C(=O)c1cccc(-c2cc(C)nnc2O)c1)[C@@H]1CCS(=O)(=O)C1 584899388 GFXCCIICGIBDJV-OAHLLOKOSA-N 375.450 1.807 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1c1nccn2nnnc12 952888080 LXPDPWNCUATERH-INIZCTEOSA-N 376.424 1.900 0 50 GDAA CCc1nnc(CNC(=O)[C@]2(O)CCc3cc(Br)ccc3C2)o1 952994719 JETHDYUFFOPVCC-INIZCTEOSA-N 380.242 1.931 0 50 GDAA COC1CCC(N(C)c2ncnc3c2ncn3C2CC(CO)(CO)C2)CC1 1875269355 ZTUKXEOANHDHQG-UHFFFAOYSA-N 375.473 1.526 0 50 GDAA COC(=O)/C=C/CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc2c[nH]nc2c1 1875311716 KVDYNCSZDRLNIQ-OIYOBHNRSA-N 384.436 1.793 0 50 GDAA CC(C)CN1CCC[C@@H](C(=O)NC[C@H](N=c2nc[nH]n3cccc23)C2CC2)C1 1875327064 XSQAXPLFXGBESO-MSOLQXFVSA-N 384.528 1.826 0 50 GDAA Cc1nnc(CC(=O)N2CC[C@@](C)(NC(=O)c3cn(-c4ccccc4)cn3)C2)o1 1875309894 TYERDMZHXILPPD-HXUWFJFHSA-N 394.435 1.527 0 50 GDAA COc1nscc1S(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2c1ocnc1C(=O)N(C)C 1875393813 UEFKTLCSESSFRK-YWVKMMECSA-N 398.466 1.018 0 50 GDAA COCCN1CC[C@H](CN(C)S(=O)(=O)c2ccc3nc(O)cc(C)c3c2)C1 952987444 NRFKWGZJIBKJJL-OAHLLOKOSA-N 393.509 1.838 0 50 GDAA COc1ccc(NC(=O)c2cn(C[C@@H]3CCCNC3)nn2)cc1C(=O)N(C)C 952973166 WNWIYZPDVNZTIK-CYBMUJFWSA-N 386.456 1.240 0 50 GDAA O=C(Nc1ccc(OCc2cccs2)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1O 1565506193 KVJVAWOPXJYORY-GJZGRUSLSA-N 382.463 1.607 0 50 GDAA Cc1sc2ccccc2c1CN1CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C1 1565529562 FOYJWFZAZGXDAL-HOTGVXAUSA-N 383.539 1.541 0 50 GDAA COc1cccc(C(=O)NCC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1 186219376 UIRXIGAEJLLJDO-UHFFFAOYSA-N 383.452 1.374 0 50 GDAA C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275616080 RHZXGIZEEHUATD-SJORKVTESA-N 375.517 1.520 0 50 GDAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 275678357 LYXSUNBVDCVTLI-ZWKOTPCHSA-N 387.480 1.433 0 50 GDAA COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C(=O)O)c3ccccc32)c1 170633442 JHRAVXMBJCAYOY-LBPRGKRZSA-N 379.365 1.989 0 50 GDAA CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)s1 170653289 DVCSUDRMXVGTGO-NWDGAFQWSA-N 377.470 1.818 0 50 GDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 279405683 HZTUHPSOQBVSIQ-BGYRXZFFSA-N 388.475 1.795 0 50 GDAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 110049122 GGANFXQDYNENGC-JTQLQIEISA-N 395.485 1.268 0 50 GDAA CS(=O)(=O)CC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)CC1 414331744 UEHZVCBHJDHFAG-UHFFFAOYSA-N 393.458 1.406 0 50 GDAA C[C@H](c1nnnn1C1CC1)N1CCN(CCNC(=O)c2ccccc2F)CC1 192034063 DEPFHHAHUHMPTK-CQSZACIVSA-N 387.463 1.256 0 50 GDAA O=C(c1nnc2n1CCCC2)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704337317 UWPHTYPMLRPVSQ-CRAIPNDOSA-N 377.448 1.838 0 50 GDAA CCOC(=O)[C@@H](CCc1ccccc1)[C@@]1(C(=O)O)CCCN1C(=O)[C@H](C)N 147089746 UXFHUBHVOQYCTR-YYFZDKIDSA-N 376.453 1.592 0 50 GDAA in-vitro Cc1noc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)n1 1772700521 CETWCRQWKMIMGW-ZWKOTPCHSA-N 378.473 1.169 0 50 GDAA Cc1cc(C(=O)N2CCCN(c3ncc(F)c(N4CCCC4)n3)CC2)nn1C 1772805729 RKIHVNWGKLOUPN-UHFFFAOYSA-N 387.463 1.610 0 50 GDAA COc1cc(C(=O)N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2ccccc12 1772705510 TXHDCCVKFXGIOK-MRXNPFEDSA-N 396.447 1.197 0 50 GDAA CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)/C=C/c1ccncc1)CC2)C(C)C 11785738 AWAJXSSCMCUWFK-RRFGBZISSA-N 396.495 1.995 0 50 GDAA CSCCCN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 12149610 GSHAHLRDLMDLRY-CQSZACIVSA-N 375.564 1.136 0 50 GDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3nc4ccccc4s3)C[C@@H]12)C1CC1 1857687606 WFTJOLGHWAVFIU-BJJXKVORSA-N 391.518 1.420 0 50 GDAA Cc1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)c2nnc3n2CCCC3)on1 1857694683 HWHDJSLDUPUQLD-UOIKSKOESA-N 398.467 1.120 0 50 GDAA O=C(N[C@H]1CC[C@H](C(=O)N2C[C@H]3COC[C@H]3C2)C[C@@H]1O)c1ccc(F)cc1F 1857705458 IOVBYVMZEOINTC-AFSSITGASA-N 394.418 1.329 0 50 GDAA CCc1nc(CN2CCC(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)CC2)no1 1857720301 NZBJLZRBHRLGPP-MRXNPFEDSA-N 389.500 1.361 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)C3CCCCCC3)[C@H]3CC[C@]2(C1)O3 1857738247 YVECAJNXAQUSSV-DODZYUBVSA-N 384.542 1.902 0 50 GDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cccn3cnnc23)cc1OC 1875240817 GMVMTENNBGHGOH-ROUUACIJSA-N 398.419 1.321 0 50 GDAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F)C2 1875241475 DMYWZIHQEZGKDM-ZJUUUORDSA-N 392.836 1.128 0 50 GDAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4ccccn4)C[C@]34CC[C@H]2O4)cn1 1875243055 NMNJMFFGWXXFKY-BIZBXSGISA-N 380.448 1.899 0 50 GDAA CCCNC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3ccccc3)[C@H]3CC[C@]2(C1)O3 1875244998 FURLSJDDHAHAQD-DODZYUBVSA-N 393.509 1.564 0 50 GDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(I)cc1 225644424 FKOFLTTVBNVPTE-WISYIIOYSA-N 385.157 1.884 0 50 GDAA Cn1cccc1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCOCC1 2100473170 CLOLVHUWBUUWGM-ZVXPMLRVSA-N 395.503 1.574 0 50 GDAA Cn1cc(C(=O)N2CCCCNC(=O)C[C@@H]3CCCCN3CCC2)ccc1=O 2100534115 UQWRWJDJHNIKOI-SFHVURJKSA-N 388.512 1.372 0 50 GDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCO[C@@]4(C[C@@H]5CC[C@H](C4)N5)C3)cn12 2100545520 UJDSSJXEGXJLQZ-ONFYXGJMSA-N 399.495 1.544 0 50 GDAA CN(Cc1cnc2ccc(Cl)cn12)C(=O)c1cnc(N2CCCNCC2)cn1 2325778978 YEXJTVZZGBKBFR-UHFFFAOYSA-N 399.886 1.850 0 50 GDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 3830750 GBXSMTUPTTWBMN-HYVNUMGLSA-N 376.453 1.605 0 50 GDAA biogenic Cc1ccc(Cl)cc1N1CCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1 9356368 KOXLXHAQIHKIJF-UHFFFAOYSA-N 388.859 1.249 0 50 GDAA Cc1nccn1CCCNCc1c(C(=O)N2CCOCC2)nc2ccccn12 11935544 NBLVBJZNUILOFC-UHFFFAOYSA-N 382.468 1.492 0 50 GDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cnccn2)cc1C 12003761 RPNXFCCLCQZSLC-SFHVURJKSA-N 397.479 1.143 0 50 GDAA CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)CCOc1ccccc1)CC2 12327352 MNWYADAXKSBULH-UHFFFAOYSA-N 399.495 1.447 0 50 GDAA O=C1CCC(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)=NN1 12711539 GNYLDMOQFWLQKY-FQEVSTJZSA-N 386.427 1.433 0 50 GDAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cn2cnnn2)C1 12714154 UVXQJECZILCTOQ-GOSISDBHSA-N 391.859 1.741 0 50 GDAA C[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(C)CC1 32594161 SSGAPQLNPHPZDY-CQSZACIVSA-N 386.452 1.479 0 50 GDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 39510297 YVWZXYBYDBJEPK-LJQANCHMSA-N 378.448 1.317 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC1CCOCC1 55253556 NWBDTSHKKCKGOF-INIZCTEOSA-N 383.851 1.465 0 50 GDAA CSCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71745609 ZZEXGCZDSKPNNT-MRXNPFEDSA-N 390.553 1.764 0 50 GDAA NC(=O)c1cccnc1N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71764269 NVDSRVOLRSFYBZ-INIZCTEOSA-N 385.512 1.484 0 50 GDAA CS(=O)(=O)NC[C@@]1(O)CCCN(C(=O)c2ccc3ncsc3c2)CC1 72124144 ZVPATHSHCPNWRB-MRXNPFEDSA-N 383.495 1.203 0 50 GDAA O=C1[C@H]2[C@@H](C(=O)N3CCC(F)(F)CC3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77517019 AKTDLZJLSLFNMW-GGXPGOJBSA-N 389.402 1.621 0 50 GDAA CN(CC1CCCCC1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77522751 RFTGZEQUCSKHHP-JKSUJKDBSA-N 379.530 1.068 0 50 GDAA CCOCC(=O)N1CCC(C(=O)N2CCC(c3nccn3CC)CC2)CC1 91289021 BUNMZPRRMXEVQG-UHFFFAOYSA-N 376.501 1.884 0 50 GDAA Cc1noc(C)c1CN1CC2(CCN(c3ncccc3C(N)=O)CC2)CC1=O 91594990 OOYVRVBLEXHEBZ-UHFFFAOYSA-N 383.452 1.804 0 50 GDAA C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCCC3)C2)cc1 91794056 OVHNFZZXXSWFBR-CQSZACIVSA-N 382.482 1.131 0 50 GDAA C[C@@]1(NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)CCS(=O)(=O)C1 96137810 OUXCNXOLJWTGOZ-GOSISDBHSA-N 379.482 1.550 0 50 GDAA CCn1c(CN(C)C)nnc1C1CCN(Cc2cn(CCO)nc2C)CC1 96164829 CRMXPMMECOPHHT-UHFFFAOYSA-N 375.521 1.236 0 50 GDAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CN(C)c1ncnc2nc[nH]c12 126038775 UONSXXGIBSROIC-UHFFFAOYSA-N 382.350 1.200 0 50 GDAA NC(=O)Cn1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Cl)cc2)nn1 126612698 LGUVQGWVEHUSJO-SNVBAGLBSA-N 375.738 1.840 0 50 GDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1cccnc1 170625201 XICDSHBXZLHKFJ-SFHVURJKSA-N 391.431 1.732 0 50 GDAA biogenic O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 177136228 LFOSNYBRKZYGCE-GOSISDBHSA-N 390.447 1.626 0 50 GDAA Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)[nH]1 188975807 WYVXZKKZXAANBK-MRXNPFEDSA-N 375.375 1.883 0 50 GDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H]3CCOC3=O)cc2)C1 241588217 PAWQRUXJIFRICR-ZENOOKHLSA-N 381.450 1.826 0 50 GDAA COc1ccccc1-n1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cn1 244564050 CLUWRIUIPZRGAN-ACWOFJMJSA-N 381.436 1.856 0 50 GDAA CN(c1cnn(C)c1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 253429321 QXNABUPXSBDMNH-UHFFFAOYSA-N 384.483 1.030 0 50 GDAA COC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)C(=O)O 262106344 HGZSOECLIFKTLR-DYZYQPBXSA-N 384.816 1.307 0 50 GDAA Cc1c(C(=O)N[C@@]2(C(=O)O)CCSC2)nnn1-c1cccc2cnccc12 262907465 HBHNBYCRYLEJGS-SFHVURJKSA-N 383.433 1.814 0 50 GDAA Cc1ccc(NC(=O)[C@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 266967104 YKCSTTVXHKLLAP-INIZCTEOSA-N 399.495 1.905 0 50 GDAA Cc1cncc(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 328604624 KLLCFXFYFZISJP-SFHVURJKSA-N 383.496 1.745 0 50 GDAA Cn1cncc1[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 328627936 NENMVUNNEFTQKW-SUMWQHHRSA-N 393.465 1.780 0 50 GDAA C[C@H](NC(=O)CN1CC[S@](=O)C[C@H]1c1cnn(C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 333021595 BPCPVKPDGMTUCU-ADJAHSJZSA-N 378.542 1.466 0 50 GDAA O=C(CCc1ccc2c(c1)OCCO2)N1CCS(=O)(=O)C[C@H]1C1CCC1 413893193 GTXUNIBXIJJBQT-INIZCTEOSA-N 379.478 1.816 0 50 GDAA CC[C@H](C)N1CCN(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)CC1 414347158 VPGXXBJWEWXKDZ-LBPRGKRZSA-N 390.889 1.908 0 50 GDAA CCc1nc(CNC(=O)N2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)no1 426697299 HNKDCUKIIQMQNZ-SFHVURJKSA-N 379.461 1.193 0 50 GDAA FC(F)(F)Cn1cnc([C@@H]2COCCN2C(=S)NC[C@H]2CCCCO2)n1 789395223 OUXXIUVFZXSYSL-NEPJUHHUSA-N 393.435 1.657 0 50 GDAA CC(=O)N[C@H](C(=O)NC[C@]1(O)CCO[C@H]1C)c1cccc(Br)c1 867908321 JYVVORAOJPPFRU-JMPLFQLZSA-N 385.258 1.282 0 50 GDAA CCOC(=O)c1sc(NC(=O)CN2CCC[C@H]2C(=O)O)c(C(=O)O)c1C 952849062 FJSHISQDPGVDQG-VIFPVBQESA-N 384.410 1.419 0 50 GDAA O=c1oc2ccccc2n1CCN1C[C@@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772811439 WCZCDWYHNQIUQH-VGOFRKELSA-N 394.475 1.416 0 50 GDAA CC1(C)CN[C@H]1C1CCN(C(=O)c2cc3n(n2)CC2(CCNCC2)OC3)CC1 1775961924 ITRLLSADGPOYMY-SFHVURJKSA-N 387.528 1.386 0 50 GDAA CN(C)CCN1C[C@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC1=O 1857677218 RXLARONGZZCBSL-QGZVFWFLSA-N 395.507 1.414 0 50 GDAA O=C(N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1F)C2)c1n[nH]c2c1COCC2 1857693100 IACGBVVBYPPDIC-PBKGOJFUSA-N 399.426 1.297 0 50 GDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)C[C@@H]12 1857701769 OUOXBMITMDNVKS-QRTARXTBSA-N 375.450 1.141 0 50 GDAA O=C(c1cn(-c2ccccc2)nn1)N1CCOC[C@H](C(=O)N2CCCCCC2)C1 1857707923 PZPLXKBJFZKUHQ-QGZVFWFLSA-N 397.479 1.759 0 50 GDAA O=C(c1cccn2cnnc12)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857709790 ROVSNABARYFCSU-ROUUACIJSA-N 391.431 1.371 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)N3Cc4cnc(C)cc4C3)CC2=O)s1 1857720617 BVDLTUUXTZUALW-ZDUSSCGKSA-N 387.465 1.673 0 50 GDAA Brc1ccc2c(=NC3CCN(C[C@H]4CCCO4)CC3)nc[nH]n12 1875256552 LHUOKOPWLYQKRS-CYBMUJFWSA-N 380.290 1.969 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)(c2ccccc2)CC1 1875266901 FXYYSZQDQUDWSD-QFIPXVFZSA-N 395.503 1.862 0 50 GDAA COc1ccc(F)cc1CN1CCC(=O)N(C[C@@H]2C(=O)NCC[C@H]2C)C1=O 1875298858 PSWMSWQNCHJAMS-DOMZBBRYSA-N 377.416 1.761 0 50 GDAA CC(=O)NCC12CC(C(=O)NCC3(c4ccccc4)CC3)(C1)C1(CCNCC1)O2 1875393086 FRURYIJVALJNCZ-UHFFFAOYSA-N 397.519 1.642 0 50 GDAA Cc1nc(C(=O)N2CCOc3ccc(F)cc3C2)nc(N2CC[C@@H](N)C2)c1C 1875401895 VNXKKGAQKRKPSC-MRXNPFEDSA-N 385.443 1.805 0 50 GDAA Cc1nc(C(=O)N(CC2CC(O)C2)C2CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404196 ZIBPJALTKGVECV-IIIMJFFVSA-N 387.528 1.609 0 50 GDAA NC(=O)NCC(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1940193385 JFSYFEZZWFJQNO-UHFFFAOYSA-N 381.436 1.324 0 50 GDAA CN1CCC(c2ncc(C(=O)N[C@H]3CCN(C(=O)c4ccccc4)C3)[nH]2)CC1 2325759926 FPPUSPOUUPIDQH-KRWDZBQOSA-N 381.480 1.863 0 50 GDAA Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)c1 2325858800 BBFBDGGQVLAEJZ-GOSISDBHSA-N 390.447 1.251 0 50 GDAA CSCC[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(C(=O)C(Br)=C(C)C)C[C@@H]21 2325878570 USZIEFSTPJLNQL-XZUYRWCXSA-N 391.331 1.362 0 50 GDAA O=C(N[C@@H]1CC[C@@H]1NC(=O)c1coc2cc(F)cc(F)c12)c1ncc[nH]c1=O 2325879514 YBRNPOFENXUZIX-NWDGAFQWSA-N 388.330 1.485 0 50 GDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(C)ccc2F)C1=O 2356153902 ZDWZKBPECINQKZ-GOSISDBHSA-N 384.473 1.926 0 50 GDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 2356157772 QBVVONZNLFSENQ-HXUWFJFHSA-N 375.436 1.881 0 50 GDAA COC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 2178852 CVYZGKYOKTUIGB-UHFFFAOYSA-N 376.434 1.874 0 50 GDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1F 2812336 VYCAJTDTRPLVNL-UHFFFAOYSA-N 378.425 1.981 0 50 GDAA COCCOC1CCN(Cc2cc(OC)ccc2OC[C@H](O)CN(C)C)CC1 11842823 BQLLDRFHXFATTR-GOSISDBHSA-N 396.528 1.624 0 50 GDAA O=c1cc(C(F)(F)F)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 13611338 DRTVNBRQCFFSLI-UHFFFAOYSA-N 382.342 1.840 0 50 GDAA O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 14745122 ROQLKODAFJWBSP-SZMVWBNQSA-N 394.431 1.224 0 50 GDAA C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O 16020007 MDFFDNJJPRNRLQ-MRXNPFEDSA-N 377.448 1.697 0 50 GDAA CCN(CC)CCN(CC)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 20536763 QDQWLVXPKGFZFY-QGZVFWFLSA-N 386.562 1.629 0 50 GDAA Nc1nc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCOCC2)[C@@H]3O)ncc1F 20682724 UONAAXDLCYKXDW-MSOLQXFVSA-N 399.470 1.484 0 50 GDAA Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)CCC(=O)O)CC3)c1 34927269 JQILLRBVNNXVIJ-UHFFFAOYSA-N 384.436 1.408 0 50 GDAA CC(C)(CO)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55327856 BQUQQZQQBRKAHP-UHFFFAOYSA-N 390.459 1.884 0 50 GDAA COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65404719 FYVRNMILEZULOU-OZQHCQBDSA-N 378.428 1.939 0 50 GDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 67604225 VJGAXKJYZDISNO-UHFFFAOYSA-N 399.470 1.652 0 50 GDAA CN1CCN(C/C=C/c2ccco2)CC12CCN(C(=O)N1CCOCC1)CC2 67727363 YTPQHXQSYGTYDL-DUXPYHPUSA-N 388.512 1.827 0 50 GDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(c4nccs4)CC3)C2)CC1 71479375 JYJNOGRMWLLNAO-MRXNPFEDSA-N 377.558 1.598 0 50 GDAA Cc1nc2cc(OCc3nc(C(=O)N4CC[C@H](O)[C@@H](O)C4)co3)ccc2s1 71721297 JBATUVFFEFGTCA-GJZGRUSLSA-N 389.433 1.739 0 50 GDAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2c(nc[nH]c2=O)C1 71759018 CUOBTNXJTFOHQA-UHFFFAOYSA-N 377.466 1.823 0 50 GDAA CCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 72144596 QILDYJSOHJCNLO-QGZVFWFLSA-N 387.459 1.298 0 50 GDAA O=C(c1cnccn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72145261 SAZFVUDPNVTHPS-CWFSZBLJSA-N 378.432 1.908 0 50 GDAA CCCN1CCN(Cc2ccc(OCC)c(CO)c2)[C@H]2CS(=O)(=O)C[C@H]21 72419297 NZNQTQYNDYDPJS-MSOLQXFVSA-N 382.526 1.271 0 50 GDAA Cn1ncc(N2CC[C@H](CNC(=O)c3cccc(-c4ncc[nH]4)c3)C2)cc1=O 77470771 YZRFTDQJRGMYSQ-CQSZACIVSA-N 378.436 1.427 0 50 GDAA Nc1cc(=O)n(C2CC2)c(=O)n1-c1ccc(I)cc1F 91302216 WVVWGHZIHSJFNG-UHFFFAOYSA-N 387.152 1.660 0 50 GDAA in-vitro 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50 GDAA O=C(c1ccncc1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857701031 OBPHSLINEDKDLL-OAQYLSRUSA-N 395.463 1.534 0 50 GDAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CN2CCOC2=O)CC1 1857717738 VXDXUGBLVCRLFY-UHFFFAOYSA-N 388.468 1.738 0 50 GDAA O=C(c1ccncc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857721131 AKEFZGCDCFBORD-UHFFFAOYSA-N 395.463 1.534 0 50 GDAA CCCN(C)C[C@@H](O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 1857724938 GBACBHSMJLBAHX-GOSISDBHSA-N 397.541 1.197 0 50 GDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1857731226 CYVPKDCIQUEOPV-UHFFFAOYSA-N 390.447 1.841 0 50 GDAA O=C1C[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2)CN1 1875245122 KWTZBUPLIIDYKV-GOSISDBHSA-N 385.489 1.551 0 50 GDAA CC(C)=CCN1CCc2nc(C(=O)NCc3[nH]nc4ncccc34)cn2CC1 1875248694 HWJBDTUYCFLQEN-UHFFFAOYSA-N 379.468 1.909 0 50 GDAA O=C(c1ccc(CO)o1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 216909356 WJAPMLSQCUCHKE-QAPCUYQASA-N 383.448 1.863 0 50 GDAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 262422481 NIBVXJYXBDFFIW-DOMZBBRYSA-N 387.429 1.869 0 50 GDAA O=S(=O)(NCCCn1ccnc1)c1ccc(I)cc1 4744805 ZCVVHKQYUKPSMI-UHFFFAOYSA-N 391.234 1.856 0 50 GDAA Cc1cc(CN(C)C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ncoc3C)C2)on1 2100539356 DVQACWIIAPFBHS-NWANDNLSSA-N 376.413 1.197 0 50 GDAA C[C@H](O)[C@H]1CN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CCO1 839924204 DKLBLQGPEQQALO-SCLBCKFNSA-N 395.415 1.313 0 50 GDAA CS(=O)(=O)Nc1ccc(-c2cn(C3CN(C(=O)CC4CC4)C3)nn2)cc1 2325898562 LLRWOHUKMRYSRT-UHFFFAOYSA-N 375.454 1.500 0 50 GDAA Cc1cc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 8844836 ZPWKLIIUUYVIGC-QGZVFWFLSA-N 390.509 1.984 0 50 GDAA COc1ccc(CCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCC4)C[C@@H]32)cc1 11878885 PLYYIBDVZHOCFA-DLBZAZTESA-N 395.481 1.083 0 50 GDAA Cc1cccn2c(CNCCN3CCCCC3=O)c(C(=O)N3CCOCC3)nc12 12315663 RDEOIMGASRQXBY-UHFFFAOYSA-N 399.495 1.217 0 50 GDAA Cc1cc(CN(C)C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n[nH]1 12317449 BNDDKSHGIPVIGB-LJQANCHMSA-N 378.423 1.982 0 50 GDAA CCOc1ccc(CN2CCC(n3cc(C(=O)NCCOC)nn3)CC2)cc1 14995315 AYAXRWGNAFVDJO-UHFFFAOYSA-N 387.484 1.890 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)cc1 15073994 PDZXQQZMJICEFY-GOSISDBHSA-N 386.452 1.422 0 50 GDAA COC(=O)[C@@H](C)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19741860 IOISSLOOSHPMRP-OAHLLOKOSA-N 386.452 1.284 0 50 GDAA NC(=O)Cn1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c2ccccc21 20911975 SNABAXHDSAEMMB-IBGZPJMESA-N 384.524 1.938 0 50 GDAA Cn1ncc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)Cn3cncn3)s2)n1 23129703 SDNQVUFNYMQIJJ-NSHDSACASA-N 386.441 1.084 0 50 GDAA COCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613271 GXGLFSVRSSDIHH-UHFFFAOYSA-N 392.880 1.784 0 50 GDAA COc1ccc(N([C@@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl 37021536 KHBUMXFVYTZJBR-WCQYABFASA-N 390.889 1.798 0 50 GDAA CS(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCC(F)(F)C1)[C@@H]2O 64158303 PDBAYXMBAURRMS-CVEARBPZSA-N 386.464 1.736 0 50 GDAA Cc1ccsc1[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1O 67673339 CSVZQISWOZUUTP-GDBMZVCRSA-N 384.461 1.538 0 50 GDAA CC(=O)N[C@@H](CO)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 67678678 QVGGHQPXTHHOPD-SFHVURJKSA-N 379.416 1.877 0 50 GDAA CN1C(=O)[C@@](CC(=O)NCCn2cncn2)(Cc2ccccc2)c2ccccc21 71749042 HZRVHDZUXFSULF-JOCHJYFZSA-N 389.459 1.942 0 50 GDAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1C(=O)CCn1cnc2ccccc21 71762508 NGLCQBYZCYVFTH-INIZCTEOSA-N 380.408 1.018 0 50 GDAA Cc1ccc(-c2ccnc(N3CCN(c4cc(=O)[nH]c(N)n4)CC3)n2)c(C)n1 71763372 UGHWEGFISVDTNQ-UHFFFAOYSA-N 378.440 1.148 0 50 GDAA Cc1[nH]nc(O)c1CC(=O)N1CCOC[C@@H]1CC(=O)Nc1cccc(F)c1 72432664 DPGNCWYQVWUMBC-AWEZNQCLSA-N 376.388 1.362 0 50 GDAA COCCN(C)C(=O)C[C@@H]1CN(C)c2cc(C(=O)N3CCCC3)ccc2O1 77300781 NUZWDHLGPHZEQF-MRXNPFEDSA-N 375.469 1.615 0 50 GDAA O=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1O)c1cnccn1 77388667 XAWFLRHNMVCWIQ-IEBWSBKVSA-N 381.411 1.529 0 50 GDAA CSc1cccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77470417 PFLBUZMZYUWOMK-JKSUJKDBSA-N 383.539 1.373 0 50 GDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-c3nnn(C)n3)cc1)C2 91441682 HUQHBUZXORRWCQ-CYBMUJFWSA-N 379.420 1.867 0 50 GDAA CC1(C)CN(C(=O)CCn2cc(Cl)cn2)CC[C@@]1(O)CN1CCOCC1 91536538 ARJSWCDQHXPTSW-GOSISDBHSA-N 384.908 1.248 0 50 GDAA COCCN1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)CC1=O 91616647 ORDMXXQKDDKVTA-ZDUSSCGKSA-N 379.844 1.010 0 50 GDAA Cc1ncc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c(C)n1 91848866 SRHDHSLBCKBNQC-AEFFLSMTSA-N 389.500 1.036 0 50 GDAA CN1CCN([C@H]2CCN(c3cccc(C(=O)O)n3)C[C@H]2CCC(=O)O)CC1 91872741 CEEVFDJFCBQLJY-ZBFHGGJFSA-N 376.457 1.087 0 50 GDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1 91915011 WTLOBNRRSGJFPY-ZWKOTPCHSA-N 388.493 1.468 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@H]2CCCO)CC1 92028799 BXUBNGVRSSXRNM-QUCCMNQESA-N 388.556 1.603 0 50 GDAA O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 95355572 JVOGQLKNVZWVOR-INIZCTEOSA-N 382.482 1.131 0 50 GDAA O=S1(=O)CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 95527997 VKUQYHYJPLOJQF-LJQANCHMSA-N 396.553 1.533 0 50 GDAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCc1nnc2ccccn12 189989170 ZSQGHXIGOQHXFJ-NRFANRHFSA-N 394.479 1.508 0 50 GDAA O=C(CS(=O)(=O)C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 192773248 VPTMETKYQZRNQO-UHFFFAOYSA-N 391.493 1.851 0 50 GDAA COC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccon3)c2)C1 215152879 YDBGLUXOYHLYQD-CYBMUJFWSA-N 379.438 1.262 0 50 GDAA COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)c(C(=O)OC)c[nH]c1=O 218060325 ICJIGPVOMLWLTF-ZDUSSCGKSA-N 385.372 1.990 0 50 GDAA biogenic CN(C)C(=O)N1CCN(Cc2ccc3ccccc3c2)[C@@H]2CS(=O)(=O)C[C@@H]21 219743321 ISCYAQMSKQNNRG-MOPGFXCFSA-N 387.505 1.805 0 50 GDAA C[C@H](c1ccccc1)[C@H](CNC(=O)N1CCOCC1)NC(=O)N1CCOCC1 225829244 YZLCQRBYKPNUPB-AEFFLSMTSA-N 390.484 1.242 0 50 GDAA O=C(NCC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1OC(F)F 266464093 HOGJAVQVSGDRNG-AWEZNQCLSA-N 397.422 1.341 0 50 GDAA COc1ccc([C@H](CN(C)C)NCc2c(C)nn(C)c2N2CCOCC2)cc1 284125324 UDIJLVXOHAASII-FQEVSTJZSA-N 387.528 1.966 0 50 GDAA Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCO[C@H](c4cncn4C)C3)cc12 328620657 HFTULNQJFAKKFA-LRDDRELGSA-N 390.469 1.209 0 50 GDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 328650171 VJBMCGNODIZXKP-UXLLHSPISA-N 397.545 1.786 0 50 GDAA CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCc3nn(C)c(=O)cc3C2)n1 328650613 VOPAYQMFIAVTHR-VQIMIIECSA-N 384.484 1.749 0 50 GDAA O=C([C@H]1CCCN1C(=O)C1CCCC1)N1CC(S(=O)(=O)NC2CCCC2)C1 329686958 ARWVLXRVMOSSDC-QGZVFWFLSA-N 397.541 1.240 0 50 GDAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 363133912 ZXLVYRDADDRCCH-ICSRJNTNSA-N 385.508 1.862 0 50 GDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)NCc2nc3ccccc3n2C)C1 426513776 WNYDOGMGUQUGFJ-CYBMUJFWSA-N 383.456 1.283 0 50 GDAA Cn1cc(Nc2nccc(N3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1 526061580 BUWBRTXGQRBBHG-MJBXVCDLSA-N 389.410 1.789 0 50 GDAA CN(C(=O)NCc1nn(C)c2cccc(Cl)c12)C1CCS(=O)(=O)CC1 534588962 LFTGLRPWBVHDIP-UHFFFAOYSA-N 384.889 1.945 0 50 GDAA COc1ncnc(C)c1-c1ccc(C(=O)N(CCO)Cc2nccn2C)cc1 584900035 RHIWZUFZOQFTGA-UHFFFAOYSA-N 381.436 1.829 0 50 GDAA CN(Cc1nc(O)c2sccc2n1)C(=O)NC1CCN(CC(=O)O)CC1 670470252 QEVHNDPXSBJHAB-UHFFFAOYSA-N 379.442 1.087 0 50 GDAA COc1cccc(Oc2ccc(NC(=O)[C@H]3CCc4nn(C)c(=O)n4C3)cn2)c1 824788013 VBEKNEQWNWSVLK-ZDUSSCGKSA-N 395.419 1.979 0 50 GDAA COCCNc1nc2cc(C(=O)N3CCNC(=O)C34CCCC4)ccc2n1C 1506404565 YUWASRVTYGLTCE-UHFFFAOYSA-N 385.468 1.516 0 50 GDAA CNC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccnc3)CC2)cc1 1506408239 QQQBZMVKXKNTCA-UHFFFAOYSA-N 388.493 1.384 0 50 GDAA CNc1nc(C(N)=O)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)s1 1506417565 AMQBRHNPFKBNLF-SECBINFHSA-N 389.437 1.284 0 50 GDAA O[C@H]1CN(Cc2ccccc2OCCN2CCOCC2)C[C@H]1Cc1ccncc1 1529095258 QOWPJAQDNFWYTN-YADHBBJMSA-N 397.519 1.828 0 50 GDAA Cc1nnnn1Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1529133475 KMQJGCVMNFDHGN-MOPGFXCFSA-N 378.436 1.412 0 50 GDAA Cc1cc(C)c(CN2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)c(-n2cccn2)c1 1565508053 FCMTXBDQEBXMBL-UNMCSNQZSA-N 383.540 1.672 0 50 GDAA O=C(CC1=CSC2=NCCCN12)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1772711834 GGSDYMZIIPZSHG-CQSZACIVSA-N 378.498 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375.391 1.542 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](O)c1ccccc1)CC2 91663677 KDHVTXCPRZWGCI-GOSISDBHSA-N 382.464 1.756 0 50 GDAA Cc1cc(C)n(Cc2cccc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)O)c2)n1 96131630 IOGSHGZMAJGFEJ-GOSISDBHSA-N 379.420 1.923 0 50 GDAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(C3CCOCC3)C2)CC1 97522197 DFYJIROKVOQKII-INIZCTEOSA-N 375.469 1.455 0 50 GDAA CCN1CCN(Cc2c[nH]nc2-c2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 77503891 OTNCRKTYMRFEEJ-SJORKVTESA-N 378.473 1.519 0 50 GDAA Cc1cc2c(cc1CN1CCn3nc(CNS(C)(=O)=O)cc3C1)OCCO2 299768794 ZEIKZQNGDJGZCB-UHFFFAOYSA-N 392.481 1.028 0 50 GDAA CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccnc(C(C)C)n1)CCO2 823413045 RCUBIYNGPVSKNA-UHFFFAOYSA-N 382.530 1.617 0 50 GDAA O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2noc3ccccc23)C1 185698015 PPUNGCKMDZZLRU-AWEZNQCLSA-N 377.466 1.896 0 50 GDAA CN(C)C[C@@H](NC(=O)NC[C@@H]1CCS1(=O)=O)c1cccc(C(F)(F)F)c1 1875304503 MDJLRICITUXOPC-UONOGXRCSA-N 393.431 1.794 0 50 GDAA O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1cccc([C@H]2CC2(F)F)c1 1875312673 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CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N1CCC(O)CC1)CC2 14751483 KJXFNUDIWFFCPN-QGZVFWFLSA-N 382.508 1.995 0 50 GDAA CN(Cc1ccccc1)C(=O)c1cn(CCNC(=O)CCc2cccnc2)nn1 15000908 NCXBSWLVSMXLSA-UHFFFAOYSA-N 392.463 1.694 0 50 GDAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857727199 NCIOTBRHNQEZTM-CYBMUJFWSA-N 388.497 1.368 0 50 GDAA O=C(c1ccon1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857732844 JYKGXRGKKYLCDH-UHFFFAOYSA-N 385.424 1.127 0 50 GDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1CCO[C@]2(CCNC2)C1 1857736680 WEYGWWQVRVLSBO-YWZLYKJASA-N 385.468 1.420 0 50 GDAA O=C(NC[C@@H]1CCCS1(=O)=O)c1cnc2c(cnn2Cc2ccccc2)c1 154019374 ZFVAFNVGXGCDMB-KRWDZBQOSA-N 384.461 1.787 0 50 GDAA C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H](C)N1 154103856 NHKAOZLLNOLQGZ-UWVGGRQHSA-N 375.288 1.675 0 50 GDAA Cc1ccc(-n2nc(C)c3cc(C(=O)N[C@@H]4CCC(=O)NC4=O)cnc32)cc1 1859679348 DBISYYRLXFFLMS-MRXNPFEDSA-N 377.404 1.572 0 50 GDAA Cc1cc(C)c(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cn1 2100536897 DRRWVZZJTLOJOF-UXHICEINSA-N 380.448 1.841 0 50 GDAA O=C(O)C[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 2325778160 FJWLADDIEJVDPE-SJORKVTESA-N 394.493 1.552 0 50 GDAA CCC[C@](C)(CC)C(=O)N1CCN(C2CN(C(=O)c3ccc(C)nn3)C2)CC1 2325793533 YXVSSHVNCLFIFX-NRFANRHFSA-N 387.528 1.970 0 50 GDAA CC(C)n1cc(CNC[C@@H](O)COc2ccc(Cl)cc2F)c(O)nc1=O 2325806848 KRMWAURQZSYJAN-CYBMUJFWSA-N 385.823 1.852 0 50 GDAA CC1(C)N=C(O)N(C[C@@H](O)COc2ccccc2C(=O)N2CCCCC2)C1=O 864120 YODASICRZKRULF-CQSZACIVSA-N 389.452 1.587 0 50 GDAA Cc1nc2ccnn2c(NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1C 2356141911 VWXBCDNXWNARGO-UHFFFAOYSA-N 377.514 1.800 0 50 GDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2C[C@H](O)c1ccccc1 170624305 SNVOZPVFBDOPNZ-AWEZNQCLSA-N 381.392 1.362 0 50 GDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cnn(C(C)C)c2C)cn1 328622287 IKCYPDJORDQTCY-MRXNPFEDSA-N 379.486 1.601 0 50 GDAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67714135 BWSXTGWGMVGXMT-AWEZNQCLSA-N 397.410 1.472 0 50 GDAA CCn1c(CC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nn(C)c1=O 67833847 PQVXTSZDHBCXFW-UHFFFAOYSA-N 394.479 1.882 0 50 GDAA O=C(c1ccccc1)[C@@H]1CCCN(c2nc3nonc3nc2N2CCOCC2)C1 12429929 FFTNKFULSXAAJF-OAHLLOKOSA-N 394.435 1.949 0 50 GDAA Cc1ccc(Oc2ncccc2CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cn1 67840993 JNTVFLSWJZVWMJ-UHFFFAOYSA-N 381.392 1.052 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cn(C)nc3C)CC2)C1 67755472 FIHNJJKXDXYSHW-QGZVFWFLSA-N 377.533 1.168 0 50 GDAA O=C1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CN1CC1CC1 333275355 IMCUSZADTZHQAZ-HNNXBMFYSA-N 393.896 1.893 0 50 GDAA O=C(Cc1noc2ccc(Br)cc12)N1CCCS(=O)(=O)CC1 333250352 GPZHJDDLOOEGQF-UHFFFAOYSA-N 387.255 1.780 0 50 GDAA COCc1nc(N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c2cnn(C)c2n1 72164009 KNEKJOZGNRYTTC-UHFFFAOYSA-N 380.452 1.980 0 50 GDAA Cc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)c1 72115782 XTGDVLNDXJGTHS-UHFFFAOYSA-N 395.511 1.891 0 50 GDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cncc(Cl)c2)cc1 219917620 CXMQZJNUQYMXOQ-HZPDHXFCSA-N 375.812 1.800 0 50 GDAA CCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)NCc1nc(CC)cs1 72418058 YWTITURNPLXPHI-ZDUSSCGKSA-N 375.516 1.152 0 50 GDAA CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)c1c(F)cccc1F 245886354 CVZUAMLYYXKDRK-OGHNNQOOSA-N 383.439 1.758 0 50 GDAA Cc1cnc(C)c(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71762062 CYDGTNQJNKVIRN-GOSISDBHSA-N 387.528 1.633 0 50 GDAA Cn1cc(C[C@H]2CCN(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)cn1 363655059 AHYXOTMGPUZIBU-WBVHZDCISA-N 395.463 1.722 0 50 GDAA O=C(NC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)NCc2ccon2)c1 216294534 HLQVUSUDBWRNNG-HNNXBMFYSA-N 379.438 1.452 0 50 GDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77422920 GZXDUWRQMASCRG-NTLWEQJWSA-N 397.406 1.754 0 50 GDAA COc1ccc(C[C@H](CO)CNc2ncnc3c2NC(=O)CS3)cc1O 377537821 OTQFTGAEOHHREE-NSHDSACASA-N 376.438 1.498 0 50 GDAA O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 72156609 LVYBEAPWFOFJIW-LJQANCHMSA-N 375.473 1.450 0 50 GDAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOC[C@@H](C)C3)c2)no1 378262520 WPQPYRWNVQXOBV-LBPRGKRZSA-N 379.438 1.892 0 50 GDAA Cn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)ccc1=O 215944444 MBHOGHWMFYXJOD-UHFFFAOYSA-N 375.432 1.805 0 50 GDAA O=C1CCC[C@@H](CC(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)N1 288585869 OEZOTICGRICYOH-HNNXBMFYSA-N 391.493 1.419 0 50 GDAA Cc1cc(N2CCN(C(=O)N[C@@H](C)c3cnn(C)c3C)CC2)n2ncnc2n1 426495636 OGEUZMGNXUEFOM-ZDUSSCGKSA-N 383.460 1.067 0 50 GDAA CC(C)Cc1nc(CNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)no1 426358625 RKAZCFFFWALPFL-INIZCTEOSA-N 376.461 1.657 0 50 GDAA Cc1cc(N2CCC(NCCc3n[nH]c(=O)[nH]3)CC2)nc(-c2ccccc2)n1 95527968 KSJXXKJNKSDONK-UHFFFAOYSA-N 379.468 1.665 0 50 GDAA Nc1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)cn1 96167076 AMNBKZHBKORNAR-UHFFFAOYSA-N 381.484 1.458 0 50 GDAA CC(C)CN1CC2(CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2)CC1=O 95375073 XIXNAWBOBLQRPT-AWEZNQCLSA-N 381.542 1.494 0 50 GDAA Cc1nc(CC(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)cs1 95380524 ZMEMBVFYVLHETF-HXUWFJFHSA-N 390.553 1.929 0 50 GDAA O=C(O)CC[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)CC[C@@H]1N1CCOCC1 91306143 LXTLCCOPVKAJGF-MOPGFXCFSA-N 390.480 1.136 0 50 GDAA CCn1nccc1S(=O)(=O)N1CCC[C@H](CNC(=O)c2cccnc2)C1 95526223 LEYGLFHWUIODMW-CQSZACIVSA-N 377.470 1.129 0 50 GDAA O=C(c1cccnc1)N1CCC(Oc2ccccc2C(=O)N2CC(O)C2)CC1 95530275 YQOWIDZRXSACIB-UHFFFAOYSA-N 381.432 1.582 0 50 GDAA Cn1c(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)nc2cc(C(F)(F)F)ccc21 91679108 WVQSAIMBZCHKIT-SNVBAGLBSA-N 383.374 1.999 0 50 GDAA Cc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)c(=O)[nH]1 95508742 VJROVYJZGZVYKL-GOSISDBHSA-N 381.432 1.999 0 50 GDAA NC(=O)c1cccnc1N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95376208 VTWLQRCCOKSHJV-PWIZWCRZSA-N 392.459 1.976 0 50 GDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccccc1-n1cccn1)CC2 95371740 RDQKVEOOABLKQI-OAHLLOKOSA-N 382.420 1.410 0 50 GDAA COCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 534581128 DPQBWEJNSDLWNM-HEFCMCLBSA-N 388.468 1.944 0 50 GDAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NC[C@H]3CCCO3)CC2)cc1 299776157 KMLSFTOXPULICM-GOSISDBHSA-N 382.530 1.642 0 50 GDAA CCc1nc(C)c(CC(=O)NC[C@@H](c2ccccn2)N2CCOCC2)c(O)n1 823545345 TZMPSGQBIAZYIN-KRWDZBQOSA-N 385.468 1.180 0 50 GDAA CNC(=O)c1cccc(CNC(=O)N(C)C[C@H]2CCCN(CCOC)C2)c1 584894785 VSLLNBQZZWTSHD-QGZVFWFLSA-N 376.501 1.546 0 50 GDAA CN(C)C(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccc3c(c1)CCN3C)C2 1875394551 MRNLFEDHMAXCKC-UAGQMJEPSA-N 380.448 1.997 0 50 GDAA CC(=O)N1CC2(C1)[C@@H](C(=O)N(CC1CCCCC1)C1CC1)CCS2(=O)=O 1875393034 DLDKXENIAGRPSE-QGZVFWFLSA-N 382.526 1.593 0 50 GDAA CCN=c1cc(-c2cn(CC3CCN(C(=O)CN(CC)CC)CC3)nn2)cc[nH]1 1875358607 BXAAHMLPEPFNOK-UHFFFAOYSA-N 399.543 1.774 0 50 GDAA CN(Cc1nc(-c2cccs2)no1)C(=O)C[C@@H]1SC2=NCCN2C1=O 1875325251 KABAPPJNRDWFMH-JTQLQIEISA-N 377.451 1.460 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 1875367076 XYMNTUIHDMRVTQ-QFBILLFUSA-N 391.418 1.777 0 50 GDAA O=C(N[C@@H]1CNCC[C@H]1CO)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1875305658 WVXJZMCXQSBFOT-GXTWGEPZSA-N 395.385 1.939 0 50 GDAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 1875313684 WWJWTJNREULWGO-CYBMUJFWSA-N 389.433 1.436 0 50 GDAA O=C(C[C@H]1CCc2ccccc21)NCC1CCN(C(=O)Cn2cnnn2)CC1 952965970 SVRSLVVUWHEPPC-QGZVFWFLSA-N 382.468 1.148 0 50 GDAA COc1ccc([C@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2N(C)C)cc1 1565528416 PVOSSAMIYMMODF-XLIONFOSSA-N 379.464 1.996 0 50 GDAA CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 272945688 OPSVYUBCDJMVQA-OAHLLOKOSA-N 379.438 1.687 0 50 GDAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccnc(OCC(F)F)c2)cn1 277460359 KLXWRMSYJVFJIQ-SRGMZFCMSA-N 384.408 1.405 0 50 GDAA CCS(=O)(=O)N1CC(CNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)C1 170603228 KKSPGNJBZBPRCX-QGZVFWFLSA-N 395.525 1.147 0 50 GDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 772434608 HPMUNQOLAOKCKZ-HNNXBMFYSA-N 382.428 1.373 0 50 GDAA O=C1CCCN1CCCC(=O)N1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1 1529198613 GGUMBKRCGGICQT-HXUWFJFHSA-N 393.528 1.391 0 50 GDAA Cc1cc(Cl)cc2c(N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)ccnc12 1616069201 QOVGONOOGKAMJK-WBMJQRKESA-N 383.901 1.885 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)CN)C[C@]3(CCc3ccccc3)C2)nn1C 1772705916 KQHNMIXKRGTOTA-XMSQKQJNSA-N 395.507 1.221 0 50 GDAA COCC(=O)N[C@]1(C)CCOC2(CCN(Cc3cccc(F)c3C)CC2)[C@H]1O 1772702095 QLBZCDSBAOHVMP-VQTJNVASSA-N 394.487 1.771 0 50 GDAA CN1C(=O)COc2ccc(-c3nc(C4CCOCC4)nn3-c3ccnn3C)cc21 1772809786 FWDBGFNZMMYHFL-UHFFFAOYSA-N 394.435 1.917 0 50 GDAA CCn1nc(-c2ccc(F)cc2)nc1[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1772807804 AZALHLZFSJQIKC-HNNXBMFYSA-N 398.446 1.887 0 50 GDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)c1OC 11842726 OBRODBSSTGHDOE-KRWDZBQOSA-N 389.496 1.843 0 50 GDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCCSC)c2)CC1 19745363 LIVPQHZUAMFFKN-IBGZPJMESA-N 381.586 1.907 0 50 GDAA CNc1ncccc1C(=O)N1CC[C@]2(C1)Cn1c(nnc1-c1ccncc1)CO2 1857696405 YWPWYQQXEFCKOW-FQEVSTJZSA-N 391.435 1.592 0 50 GDAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CC2)O1 1857697662 HCMBXMHRFGYFJB-CVEARBPZSA-N 385.464 1.858 0 50 GDAA CN(C)S(=O)(=O)CCCN1CCc2nn(C)c(-c3ccccc3)c2CC1 1857698507 VKEWTZOAKMJQHP-UHFFFAOYSA-N 376.526 1.769 0 50 GDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3cc(C4CC4)on3)CC2=O)s1 1857720082 CYSRVLGJBFQENF-NSHDSACASA-N 391.453 1.609 0 50 GDAA O=C(c1cn2c(n1)CCNCC2)N1CCN(c2nsc3ccccc23)CC1 1857738345 CVORFOYERNYWJT-UHFFFAOYSA-N 382.493 1.601 0 50 GDAA CC(C)Cn1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC(C)C)c1 12454992 IOGZOMXGTPKYQJ-UHFFFAOYSA-N 392.544 1.960 0 50 GDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1I 225706802 HAQIGTBNXIJVGQ-WISYIIOYSA-N 385.157 1.884 0 50 GDAA CN1C[C@H]2C[C@@H](N(C)C(=O)CCn3cnc4ccccc4c3=O)C[C@H]2CC1=O 2100477535 AOEQNSWBORVXNB-XHSDSOJGSA-N 382.464 1.502 0 50 GDAA Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 8725113 PZSHHBXCDCQNEY-HNNXBMFYSA-N 395.463 1.758 0 50 GDAA COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(CNC(C)=O)s1 2332237365 WWYVJGGTSDLHQB-UHFFFAOYSA-N 394.474 1.922 0 50 GDAA Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)CC2 111852882 LNWIREAJCGBHOT-RTBURBONSA-N 398.511 1.144 0 50 GDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O 1576661 SZTWVDLUDLZHBU-OALUTQOASA-N 384.432 1.340 0 50 GDAA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@@H](O)CO)cc1 4521249 NISVZEWKUNUGQQ-ROUUACIJSA-N 376.449 1.477 0 50 GDAA biogenic,in-vitro COCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 4995713 XWJLKIOLHIKEAJ-UHFFFAOYSA-N 378.450 1.653 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 6702488 QPWFCJNDQQHYKB-CQSZACIVSA-N 382.482 1.727 0 50 GDAA O=S(=O)(c1ccccc1)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1 6747113 JXLWBGGZKWDKAY-UHFFFAOYSA-N 385.449 1.894 0 50 GDAA CSc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 12157369 ZCYPJSHRYFGAIG-INIZCTEOSA-N 389.525 1.949 0 50 GDAA CC(C)C[C@H]1C(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2C(=O)N1C 14540989 OLEUSFVYEKTDMM-VQTJNVASSA-N 395.507 1.772 0 50 GDAA O=C(NCCCN1CCC[C@@H](O)C1)c1cn(Cc2ccc(Cl)cc2)nn1 15074642 KKJBVOCAFJZASZ-MRXNPFEDSA-N 377.876 1.556 0 50 GDAA O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccc1 35800818 HIRLYRSVZHGLAO-UHFFFAOYSA-N 391.468 1.448 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCN(CC3CCCC3)CC2)C1 39356753 JVQOTEPWSUAMIV-PMACEKPBSA-N 393.553 1.228 0 50 GDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)cc1 64053754 XEPPEKYMAKOGHN-FQEVSTJZSA-N 399.466 1.884 0 50 GDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)C2(N)CCC2)CC1 67790780 BLJFOBUHGBYIIS-UHFFFAOYSA-N 395.507 1.914 0 50 GDAA O=C(c1cc(=O)[nH]c(O)n1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 72161982 ZCBJUCJPXBOPPW-HXUWFJFHSA-N 386.427 1.743 0 50 GDAA COC(=O)N1CCCC[C@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 82091540 PTTXCRVWQAEQBM-AWEZNQCLSA-N 376.392 1.216 0 50 GDAA Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)c4cccnc4)[C@@H]3C2)c2c1CCCC2 82092606 RBJMPPLHPIECOG-MAUKXSAKSA-N 379.464 1.681 0 50 GDAA O=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)c1ccc(CO)cc1 91563323 JAYYYLUACFHJFH-UHFFFAOYSA-N 382.464 1.838 0 50 GDAA CN(CCCn1cccn1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC2)c1 95368816 QLSREWOXBGZGOI-MRXNPFEDSA-N 392.481 1.113 0 50 GDAA CNC(=O)CCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95375936 BMCFVECBHMTZOU-IWMITWMQSA-N 385.464 1.330 0 50 GDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 95380224 WAUZMXCMDSOACS-CQSZACIVSA-N 391.439 1.122 0 50 GDAA O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95381374 WEBAYPUXCYHPEF-QFBILLFUSA-N 378.476 1.334 0 50 GDAA COC(=O)C1=C(C)NC(=O)[C@@]1(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 100278254 WYFAZDFYNLMFMZ-CQSZACIVSA-N 392.355 1.151 0 50 GDAA CC(=O)O[C@@H]1[C@@H](Sc2ccccn2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 139678623 XBKOQNIEZLQWIR-MDBBBPFLSA-N 383.422 1.714 0 50 GDAA biogenic CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 156689072 ZVBDRLFMFFDGKJ-QGZVFWFLSA-N 378.448 1.805 0 50 GDAA C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccnc2-n2ccnc2)CC1 170595100 PRNWDFPMKWSHJB-INIZCTEOSA-N 382.468 1.036 0 50 GDAA CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C2)ncn1 219509440 UQRHPEFSEDPBBV-HAQNSBGRSA-N 376.438 1.514 0 50 GDAA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)[C@@H]21 225682357 JYDHLXGBRQCSMI-LMSBXDPUSA-N 388.489 1.854 0 50 GDAA CCN1CCN(c2ccc(C(=O)N(CCN(C)C)CC(=O)O)cc2F)CC1 236893729 ZKSCYCHABWYJTP-UHFFFAOYSA-N 380.464 1.056 0 50 GDAA NC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CC1 237818211 FNJLYIKBWXRSET-SNVBAGLBSA-N 377.260 1.236 0 50 GDAA C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NCCNS(=O)(=O)c1ccn(C)c1 242038526 VLUXHOCWUFHDSL-PXNSSMCTSA-N 390.553 1.804 0 50 GDAA O=C(C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccncc1 253535882 PVGCPWIKFHAASX-GOSISDBHSA-N 391.431 1.937 0 50 GDAA CC(C)C[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)Nc1nccs1 273601034 LZQXNRDSLVXZLY-LBPRGKRZSA-N 392.485 1.554 0 50 GDAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2ccc(F)cc2o1 285764739 SWJMRBIYFMEBPI-GWCFXTLKSA-N 382.413 1.380 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cnnc(-c3ccccc3)c2)C1 291697739 UBGIZUPUJRKCBM-HKUYNNGSSA-N 380.448 1.996 0 50 GDAA CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C(=O)O)cc1 299748965 ISBVEFCWNYIDCR-HOTGVXAUSA-N 376.453 1.702 0 50 GDAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C1=O 328610960 JSUUQTGSIHLIOB-MRXNPFEDSA-N 399.476 1.583 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1c1ncc[nH]1 328617789 DAQPJIPTIQQOOF-CZUORRHYSA-N 376.482 1.801 0 50 GDAA Cn1cc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(-c2ccccc2)n1 329265775 HEMDJPXSWLVNPB-IEBWSBKVSA-N 375.494 1.913 0 50 GDAA CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 363953924 RKJBNZDJSRLCNP-IEBWSBKVSA-N 389.471 1.734 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCN([C@@H]2CCOC2)CC1 378114254 KEHPKEVRCOGLTK-HZPDHXFCSA-N 377.510 1.676 0 50 GDAA COCCn1cnnc1CN(C)C(=O)c1cccc(-c2cc(C)nc(N)n2)c1 426507834 FPYWLTLLRBIIFU-UHFFFAOYSA-N 381.440 1.544 0 50 GDAA Cc1c(C(=O)NCc2ccc(C(=O)O)cc2)nnn1-c1ccc2c(c1)OCCO2 485511547 CSWDGODSMPTFEV-UHFFFAOYSA-N 394.387 1.975 0 50 GDAA O=C1Nc2ccc(S(=O)(=O)NCCN3CCCC[C@H]3CO)c3cccc1c23 670459493 TYXIYDFDDGKCQG-ZDUSSCGKSA-N 389.477 1.531 0 50 GDAA Cc1cccc2c1O[C@H](C(=O)NC1CCN(c3ncnc4[nH]cnc34)CC1)C2 885739168 KKTCZPYDZLSNDH-HNNXBMFYSA-N 378.436 1.750 0 50 GDAA O=C1NCC2(CCN(C(=O)c3ccc4nncn4c3)CC2)Oc2ccccc21 928113772 JKCABBUJFHYLDA-UHFFFAOYSA-N 377.404 1.527 0 50 GDAA CN(C)S(=O)(=O)c1ccc(CN2CCc3nc[nH]c3C23CCOCC3)cc1 931107254 BHAGTSZIKMDLFL-UHFFFAOYSA-N 390.509 1.724 0 50 GDAA O=C1CCN(Cc2cnn([C@@H]3CCS(=O)(=O)C3)c2)c2ccc(F)cc2N1 952846301 YBONYOIQLWWZJT-CQSZACIVSA-N 378.429 1.731 0 50 GDAA Cn1nnc(-c2ccc(C(=O)Nc3ccccc3CN3CCOCC3)cc2)n1 952873611 MIFYCWIXVOUJMV-UHFFFAOYSA-N 378.436 1.962 0 50 GDAA O=C(Nc1ccccc1CN1CCOCC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 952989838 PMKINJDSDMJBLV-LJQANCHMSA-N 394.475 1.901 0 50 GDAA O=C(Cn1nc2ccccc2n1)NC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 1506430529 ZYYMOXPRTDZWJT-CYBMUJFWSA-N 391.439 1.130 0 50 GDAA Cc1cc(N2CCCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)ccn1 1529197450 QNAZUOLKASVUAB-UHFFFAOYSA-N 381.480 1.974 0 50 GDAA CCOc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCO)ccc1Cl 1565515098 SBMLCUFZCVLSTF-ZFWWWQNUSA-N 379.862 1.183 0 50 GDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@]4(CCC[C@H]4O)C3)ccc21 1704313179 HSEWFPAUAMHDDK-SJLPKXTDSA-N 379.482 1.193 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC1CCN(Cc2ccccc2)CC1 1704314312 XUTMONFHFDUOGQ-HKUYNNGSSA-N 381.542 1.147 0 50 GDAA C[C@]1(O)CC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OC[C@@H]1O 1704315722 UKQZJEDOTCYYSU-GJZGRUSLSA-N 377.409 1.020 0 50 GDAA O=C(O)CN1C[C@@H]2CN(C(=O)CCn3cccn3)C[C@]2(CCc2ccccc2)C1 1772710289 PGPFJRYKVVOUDE-KNQAVFIVSA-N 396.491 1.751 0 50 GDAA COc1ccc(CN2C[C@H]3CN(C(=O)c4cccn4C4CC4)C[C@@]3(CO)C2)cn1 1772806642 ZQWYPJLJVCKZTP-HTAPYJJXSA-N 396.491 1.793 0 50 GDAA Cc1nnc(N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)s1 1857673676 XPFVFUYRRXGBJM-SFHVURJKSA-N 388.497 1.663 0 50 GDAA CCCO[C@H]1C[C@@H](C(=O)N2CCN(c3ccncc3)CC2)CC[C@@H]1NC(C)=O 1857707628 WSMKCNVUSQEQPE-IHPCNDPISA-N 388.512 1.830 0 50 GDAA COc1cccc(OCC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1 1857719651 SAMIFLCFQAYIDS-ICSRJNTNSA-N 388.468 1.338 0 50 GDAA CCCC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@]23CC[C@H]1O3 1857721394 MPELEFQQCYXMFB-DODZYUBVSA-N 378.494 1.771 0 50 GDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@H]1c1ccccc1 1857738455 IRXCFFBUCKDPEC-PMACEKPBSA-N 392.463 1.806 0 50 GDAA CCc1ccccc1OCCN1C[C@@H]2[C@H](CNC(=O)COC)[C@H]3CC[C@]2(C1)O3 1857739208 MSCMGZZNNPCLQO-XHYAQGIWSA-N 388.508 1.870 0 50 GDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)n1 1857739447 KGUJHBXSKAIAII-SNVBAGLBSA-N 399.398 1.972 0 50 GDAA CNC(=O)C12CC(CNC(=O)c3cc(F)cc(Cl)c3)(C1)OC21CCNCC1 1875393420 NFOTYUGYORKTAN-UHFFFAOYSA-N 395.862 1.626 0 50 GDAA Cc1ncsc1CN1CCc2nc(C(=O)N[C@H]3CCSC3)cn2CC1 1940197678 HYFGRVQVUMYKDI-ZDUSSCGKSA-N 377.539 1.942 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)NCCc2ccncc2)C[C@H]1NC(=O)c1cccc(N)n1 2100547328 GBEZJJVGKYSAPP-CGTJXYLNSA-N 397.479 1.331 0 50 GDAA COc1cc(-c2cc(=NC(=O)[C@@H]3CCn4nccc4C3)[nH][nH]2)cc(OC)c1OC 2100554893 GSQILNYPFNCWQT-GFCCVEGCSA-N 397.435 1.922 0 50 GDAA CC[C@@H](C)CC(=O)N1CC2(CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2)C1 2325793864 KEVBLVIKYDYWGH-QAPCUYQASA-N 381.517 1.271 0 50 GDAA COCCn1cc(C(=O)N2CC[C@@]3(CCCN(C)C3)[C@@H](C)C2)c(=O)cc1C 2325806321 GQDSXLRHUIIYEL-HRAATJIYSA-N 375.513 1.997 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H](C(F)(F)F)O1 2325810060 AVXTVKCXRMDGAR-TZMCWYRMSA-N 398.341 1.573 0 50 GDAA CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc3[nH]c(=N)[nH]c3c2)C1 2325858333 IVZIBUCEWYJURW-QGZVFWFLSA-N 378.480 1.521 0 50 GDAA NC(=O)NCCC(=O)N1CC[C@@H](Cc2cn(-c3ccc4c(c3)CCC4)nn2)C1 2325869267 GAURQTZDKRDJPM-AWEZNQCLSA-N 382.468 1.205 0 50 GDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(F)ccc2F)C1=O 2356147744 MUGPGKGHQHXDLS-KRWDZBQOSA-N 388.436 1.757 0 50 GDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1cc[nH]n1 2356148015 CNWDWLRUNCTYBO-STQYRHOTSA-N 390.447 1.211 0 50 GDAA CCOCCn1nc(Cc2ccc(OC)c(OC)c2)nc1C[C@H]1CCC(=O)N1 2356142784 HRTZKFCZWHLZHB-OAHLLOKOSA-N 388.468 1.744 0 50 GDAA CC(C)(CNS(=O)(=O)c1ccccc1)CNS(=O)(=O)c1ccccc1 2749965 VWURISBAIUMERV-UHFFFAOYSA-N 382.507 1.970 0 50 GDAA O=C(O)[C@]1(Cc2ccccc2)CN(c2cc(-n3cccn3)ncn2)CC[C@H]1O 2356155600 JNYHOWWKWBZYHT-OXQOHEQNSA-N 379.420 1.547 0 50 GDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)C1CCC1 20600271 MLJAUOLMFZDKCM-UHFFFAOYSA-N 397.479 1.524 0 50 GDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 65361933 VKBWPBBGRQDTNZ-LJQANCHMSA-N 393.553 1.613 0 50 GDAA O=C(Cn1nc(C2CCNCC2)n(Cc2ccccc2)c1=O)N1CCCCC1 67770198 NWXBTUGPYXGXGL-UHFFFAOYSA-N 383.496 1.573 0 50 GDAA Cc1noc([C@@H]2CC[C@H](CN(Cc3noc4c3CCCC4)S(C)(=O)=O)O2)n1 328612547 PAUYYRKYSZFBIL-WBMJQRKESA-N 396.469 1.927 0 50 GDAA Nc1nc2cc(C(=O)N3CCC[C@@H](Cn4cc(C(=O)O)nn4)C3)ccc2s1 67821479 MGBIGYJSFRXIOD-SNVBAGLBSA-N 386.437 1.721 0 50 GDAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)c1ccc(=O)[nH]c1 67770392 MTARMWPSWRDBNN-UHFFFAOYSA-N 390.447 1.422 0 50 GDAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 2808028 HIPOJISBWNSQIL-MRXNPFEDSA-N 390.509 1.777 0 50 GDAA CNC(=O)CCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71405837 WDKFZJGFAYXAHS-QGZVFWFLSA-N 387.528 1.010 0 50 GDAA CCCn1ncc(C(=O)N2CCOC[C@@H]2CC(=O)N2CCSCC2)c1C 72410623 KSJYKAPGRPQQKG-HNNXBMFYSA-N 380.514 1.408 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)n1 15936461 PHQSWZMGUMDIGS-OAHLLOKOSA-N 391.422 1.345 0 50 GDAA O=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1)c1cccnc1 71315743 UKOLLVQIYYPZNB-GOSISDBHSA-N 398.507 1.590 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N[C@@H]3CCCN[C@@H]3C)CC2=O)cc1OC 262841456 XMHJGENMXKSCLK-DJIMGWMZSA-N 389.496 1.352 0 50 GDAA NC1(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CCNCC1 77471678 XKWMLSXAFKMCSO-UHFFFAOYSA-N 386.496 1.123 0 50 GDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 177876756 MJKXVLQEKAZTTI-AWEZNQCLSA-N 391.497 1.800 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1cnc2c(c1)CCC2 426580932 GAZYGBCKIRWIRM-HXUWFJFHSA-N 378.476 1.577 0 50 GDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2cccc(F)c2n1 223359989 QOCVYLIWWAZZSQ-GDBMZVCRSA-N 375.400 1.366 0 50 GDAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1 223227515 GVWRJIXIXZCIIU-INIZCTEOSA-N 385.873 1.298 0 50 GDAA COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 227062189 GCMAFGGWLFPYFZ-LJPSSGMGSA-N 389.839 1.213 0 50 GDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccc2nc[nH]c2c1 426383147 RSLYFQQHPJQSHX-IBGZPJMESA-N 377.448 1.570 0 50 GDAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)CN1C(=O)CNC1=O 92022684 GWUSSUYGQRTUDH-ZDUSSCGKSA-N 388.472 1.285 0 50 GDAA COc1ccccc1CN1C[C@H](c2nc(CN3CCOCC3)no2)CCC1=O 91872242 AIKABRARMPKFDQ-MRXNPFEDSA-N 386.452 1.817 0 50 GDAA CN1CCN2CCN(C(=O)Nc3ccccc3OCc3ccco3)C[C@@H]2C1=O 95525447 BDKCNBXUHIJENY-QGZVFWFLSA-N 384.436 1.849 0 50 GDAA COc1ccccc1CN1CCN(C)[C@@]2(CCC(=O)N(CC(=O)O)CC2)C1 230202904 SUKOLOFTCUQKJK-HXUWFJFHSA-N 375.469 1.279 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1 299752972 WGORLLCLIHZJSZ-LLVKDONJSA-N 384.314 1.602 0 50 GDAA O=C(O)C[C@H]1CN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCO1 299752973 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Cc1cccc2c1CCN2C(=O)c1ccc(NC[C@H](O)CS(C)(=O)=O)nc1 1875360508 CBCNBIRVZAKWIZ-HNNXBMFYSA-N 389.477 1.410 0 50 GDAA O=C(CCc1ccccc1N1CCOCC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875401000 PSKXBVBDQIIGEL-FBBABVLZSA-N 398.507 1.608 0 50 GDAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CC(=O)N(Cc2cccnc2)C1 952990187 LJIDPQBCFBCLOO-ZDUSSCGKSA-N 379.380 1.374 0 50 GDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 952968182 BJNZHYMNZASWMX-OAHLLOKOSA-N 392.419 1.658 0 50 GDAA C[C@@H](C(=O)N1CCC(CNC(=O)c2cccc3nccnc23)CC1)n1cncn1 952990212 WQDDYDLMLOJTJT-AWEZNQCLSA-N 393.451 1.451 0 50 GDAA Cc1ccc(F)c(S(=O)(=O)NCCNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1 886091654 FELYXPQCYJVTCV-WMHQRMGPSA-N 395.456 1.007 0 50 GDAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CC[C@@H](CO)C2)C2CCCC2)CC1 888096695 JBBNBIRVAWNIIL-AEFFLSMTSA-N 395.544 1.939 0 50 GDAA COc1cc(OC)c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)cc1OC 1565506422 MQBSJHITFSEGMB-BTINSWFASA-N 376.453 1.694 0 50 GDAA CCCn1ccnc1CN1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@@H]2C1 1565516256 MYJNRZZUYBWFGO-PXNSSMCTSA-N 375.517 1.768 0 50 GDAA CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(Cc2ccccc2F)CC1 1324850775 WFOLTJSOXNQTLR-MRXNPFEDSA-N 384.473 1.146 0 50 GDAA CNC(=O)Cn1cc(NC(=O)c2cccc(OCC(=O)N3CCCCC3)c2)cn1 1506398397 ZCTLKLKYQRKBFS-UHFFFAOYSA-N 399.451 1.273 0 50 GDAA CCCN1C[C@@H]2CN(C(=O)CSc3ccccc3NC(C)=O)C[C@]2(CO)C1 1772817676 HGHMGUSJUVAJEK-UZLBHIALSA-N 391.537 1.900 0 50 GDAA COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NCCc1ccccc1 12002640 IBTBHOGFUONZGY-UHFFFAOYSA-N 388.445 1.870 0 50 GDAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)CCn3cnnn3)C2)cc1 12708492 UQRJOFLUASRRTH-GOSISDBHSA-N 386.500 1.485 0 50 GDAA CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(F)c4)c3)CN2C1=O 14753236 GVRMWPUDOVIQTB-RYQLBKOJSA-N 385.443 1.225 0 50 GDAA COCCN1CCC[C@@](O)(CNC2CCN(c3ccccc3F)CC2)C1=O 15064270 BASQZIYOAGUIDK-HXUWFJFHSA-N 379.476 1.384 0 50 GDAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4cnccn4)ccn3n2)c1 169775939 SQVBRHWSJQPHHY-UHFFFAOYSA-N 388.431 2.000 0 50 GDAA Cn1nc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)nc1Cl 1857688713 XTICSJMYIAXICT-QGZVFWFLSA-N 375.816 1.358 0 50 GDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857722609 JNTJYFSKAGEACL-IRXDYDNUSA-N 378.498 1.719 0 50 GDAA Cc1cc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c2cc(F)ccc2n1 1857739873 WSXGQLHWIRORRU-JQHSSLGASA-N 391.468 1.482 0 50 GDAA CCN1CCN(CCNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 363168938 HJYQVHDRLSBELQ-KRWDZBQOSA-N 378.904 1.447 0 50 GDAA CCN(C[C@@H]1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1)CC(F)(F)F 490846858 IPFIMEPRJQWPBV-NSHDSACASA-N 398.389 1.175 0 50 GDAA CCCC(=O)N=[S@](C)(=O)c1cnn2c1CN(c1ncc3c(n1)COC3)CC2 2325784932 UXENSSUIPUSKLK-HHHXNRCGSA-N 390.469 1.507 0 50 GDAA CC(C)(C)c1ncc(I)c(N2CCO[C@@H](CN)C2)n1 2325800013 HDYORVQTAHQDEQ-VIFPVBQESA-N 376.242 1.543 0 50 GDAA CS[C@@H](CNC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)C(C)(C)C 868493059 KGZOTUJYNBHRLZ-ZDUSSCGKSA-N 377.518 1.982 0 50 GDAA CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 2437287 OHAJKDGPZDQWOW-UHFFFAOYSA-N 395.507 1.908 0 50 GDAA CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(OC)ccc21 2452276 BKQNUHSJPCFLDQ-KRWDZBQOSA-N 376.438 1.607 0 50 GDAA CO[C@@H]1CC[C@H](C(=O)N2CCn3nc(C)cc3C2)C[C@H]1NC1CCOCC1 2356151217 XTYDKEBTMLICMC-KFKAGJAMSA-N 376.501 1.486 0 50 GDAA O=C1CCO[C@H]2CN(Cc3ccn4ncnc4c3)C[C@@H]2N1Cc1ccccc1 2356165157 WDKWPNSKZJCJTL-OALUTQOASA-N 377.448 1.731 0 50 GDAA Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356167059 GXMZLCNRXMZGFQ-OAQYLSRUSA-N 394.479 1.659 0 50 GDAA COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 23128625 MFZYQLFUVFZQGV-UHFFFAOYSA-N 395.463 1.911 0 50 GDAA CNC(=O)C(C)(C)N(C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67676155 HYCPRWTWOXSTQE-UHFFFAOYSA-N 375.381 1.579 0 50 GDAA CCc1ccc(CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)cc1 23338747 YDDJKXRAZXSADP-UHFFFAOYSA-N 386.500 1.507 0 50 GDAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 328618099 DJITVZADJIIGJQ-LLVKDONJSA-N 389.437 1.121 0 50 GDAA O=C(NCc1nc[nH]n1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71775609 KAIPIBJZGPEZHT-IBGZPJMESA-N 396.539 1.840 0 50 GDAA CC(C)CN1CCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)[C@H](C)C1=O 77489324 IECIAEPKXRSBDP-CYBMUJFWSA-N 376.432 1.934 0 50 GDAA Nc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cn1 72419917 OWOXVODELQBIMN-HNNXBMFYSA-N 376.407 1.651 0 50 GDAA CCc1nnc(CN(C)C(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)o1 219128686 DAOKVNNROGPTLS-IBGZPJMESA-N 385.424 1.768 0 50 GDAA O=C(O)C[C@@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCO1 262403290 AFRIBTJQMGYLPZ-LLVKDONJSA-N 376.390 1.855 0 50 GDAA Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71748160 GITFIUPJBUKCEK-QGZVFWFLSA-N 388.447 1.406 0 50 GDAA O=C(O)[C@H]1C[C@H](C(=O)NCc2ccncc2)CN(C(=O)Cc2ccccc2)C1 72168341 BFNCTMOMFFNXFZ-ROUUACIJSA-N 381.432 1.490 0 50 GDAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 178274231 WWQQXXDVNFXGSN-MFKMUULPSA-N 381.226 1.735 0 50 GDAA COc1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc(OC)c1OC 222832057 VBVMAHZTRBJRPB-KDTYNDQISA-N 375.425 1.688 0 50 GDAA Cc1nccn1CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 82098518 ONTVETRQNIYPHV-OAQYLSRUSA-N 389.544 1.765 0 50 GDAA CCOC(=O)Cc1csc(NC(=O)C2CCC(Cn3cnnn3)CC2)n1 225431800 SGURACSKEHCQQC-UHFFFAOYSA-N 378.458 1.680 0 50 GDAA Cc1ncnc(N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)CC2)c1C 95500437 OYQCNJPBWMTSSJ-GOSISDBHSA-N 394.479 1.186 0 50 GDAA CCSCCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96138970 KUYFBOWLILTOMC-UHFFFAOYSA-N 381.546 1.497 0 50 GDAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)ccc21 267515377 DBOKBGKHKJXFMB-GOSISDBHSA-N 390.465 1.091 0 50 GDAA CC1(C)CN(Cc2nc(C(F)(F)F)no2)CC[C@@]1(O)CN1CCOCC1 91655885 HEWNQRWTDGZNON-OAHLLOKOSA-N 378.395 1.384 0 50 GDAA Cc1n[nH]c(CC(=O)N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 91656264 ZBFSAAVHOZDKKP-UHFFFAOYSA-N 396.495 1.525 0 50 GDAA CC(C)c1cc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)nc2ncnn12 91974381 WNRCSHPPXKMQSS-INIZCTEOSA-N 386.500 1.965 0 50 GDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCN(c2nccs2)CC1 96138510 NMEAZAFXBOIDOP-UHFFFAOYSA-N 381.483 1.453 0 50 GDAA CNC(=O)c1ccc(OC)c(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c1 253399026 CNSMLZIACKIKLG-OAHLLOKOSA-N 396.403 1.134 0 50 GDAA biogenic CC[C@@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2)c1cnn(C)c1 534673700 XRMSVPXGIPIRKF-QGZVFWFLSA-N 387.488 1.565 0 50 GDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 268970179 GIFKDUMUUWBZON-GWCFXTLKSA-N 397.225 1.114 0 50 GDAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)cs1 55368719 RVHMVWRGPALFKC-MRXNPFEDSA-N 394.447 1.737 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(C(=O)c2nccn2C)CC1 824156450 NEZUXFMGPWESGQ-HNNXBMFYSA-N 391.472 1.009 0 50 GDAA Cc1c(CN2CCOC3(CCN(C(=O)Cc4cccc(O)c4)CC3)C2)cnn1C 828925457 WJDCHXWZFHOHPB-UHFFFAOYSA-N 398.507 1.870 0 50 GDAA CN(CC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccncc1 823715085 MYZLFOYLFLQGDZ-UHFFFAOYSA-N 398.463 1.390 0 50 GDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)N(Cc1cocn1)Cc1cocn1 584903235 KITVLQNOABXHJS-CQSZACIVSA-N 383.412 1.833 0 50 GDAA COc1ccc([C@@H]2CN(C[C@H](O)CN3CCC(C)CC3)C[C@H]2C(=O)O)cc1 1875283424 RSJUQNSHRSTYJK-YZGWKJHDSA-N 376.497 1.888 0 50 GDAA CN(C)C1CCN(CCNC(=O)c2cc(C(=O)O)n(-c3ccccc3)n2)CC1 1875266688 KWKZKFJAMVYEAN-UHFFFAOYSA-N 385.468 1.326 0 50 GDAA C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3)C[C@@H]2C)n1C 1875276920 NLWFJEUQXZQSLU-KBPBESRZSA-N 378.502 1.140 0 50 GDAA C[C@H]1OCC[C@]1(F)C(=O)NCCC(F)(F)Cn1cc(-c2cnccn2)nn1 1875356384 JLSABYHAJZGTDE-BDJLRTHQSA-N 384.362 1.394 0 50 GDAA COc1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)cc(-n2cnnn2)c1 952980779 AOOHUWBVPAXDTJ-CQSZACIVSA-N 393.407 1.053 0 50 GDAA O=S(=O)(c1ccccc1)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1309956816 ZRPCJBZPKUVMEH-AAEUAGOBSA-N 383.413 1.817 0 50 GDAA CSc1ccccc1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1565526678 PKPZCIHDFZGCMK-ZFWWWQNUSA-N 375.450 1.710 0 50 GDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 275721807 OTXSLDCJHNGIKT-JTQLQIEISA-N 378.322 1.702 0 50 GDAA COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cn1)CC2 277513117 UOKGSRRRAYUYQR-SNVBAGLBSA-N 385.346 1.505 0 50 GDAA CN1C(=O)[C@]2(CCCN(C(=O)COc3ccc4nncn4n3)C2)c2ccccc21 1506399739 QAJBXHPOPZDTBE-FQEVSTJZSA-N 392.419 1.040 0 50 GDAA CC(C)C1=NO[C@H](C(=O)N2CCCN(C(=O)Cc3n[nH]c4ccccc34)CC2)C1 1529195673 NEZISDOPSKTELM-IBGZPJMESA-N 397.479 1.967 0 50 GDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@H]4CNC[C@@]4(CO)C3)c(C)s2)on1 1772710817 SUHZAMCPRJJLCQ-WBMJQRKESA-N 383.495 1.222 0 50 GDAA COc1ccc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 13008898 IYNZDYNJJZPGDW-UHFFFAOYSA-N 378.436 1.942 0 50 GDAA O=C1C[C@@H](N2CCN(CCc3ccncc3)CC2)C(=O)N1c1ccc(F)cc1 19890212 BPKVRBNOTRJZHE-LJQANCHMSA-N 382.439 1.713 0 50 GDAA O=C(COc1ccc(F)cc1)N1CCO[C@]2(CCN(Cc3cncnc3)C2)C1 1857677604 JKGUKSUVOVBILF-FQEVSTJZSA-N 386.427 1.498 0 50 GDAA CN(C)CCN1CCOC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1=O 1857685368 SUSATKAYNILCBF-UHFFFAOYSA-N 395.450 1.750 0 50 GDAA COc1cccc(CN2CCOC3(CCN([C@H](C)C(N)=O)CC3)CC2=O)c1 1857704957 MHAUARJNHNPYOG-OAHLLOKOSA-N 375.469 1.153 0 50 GDAA CCOC(=O)CNc1ncc(CN2CCC3(CC2)C[C@H](O)C[C@H](CC)O3)cn1 1857713078 CUALWJPKELUZRZ-SJORKVTESA-N 392.500 1.736 0 50 GDAA Cc1nnc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)s1 1857722307 GPAKTZUIFBWJHL-UHFFFAOYSA-N 388.497 1.663 0 50 GDAA Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857727201 NCIOTBRHNQEZTM-ZDUSSCGKSA-N 388.497 1.368 0 50 GDAA O=C(CCCc1nc(-c2ccccc2Cl)no1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875243408 GGONZKDDXDEIGQ-NSNWQYSKSA-N 393.827 1.356 0 50 GDAA O=C(CS(=O)(=O)C1CCCC1)NC1CCN(C(=O)c2ccccc2F)CC1 125316267 SWMMRHGGFJCKTP-UHFFFAOYSA-N 396.484 1.904 0 50 GDAA CN(CC(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1)Cc1cccnc1 1704325081 CYSGFJNYOZSOOT-QFIPXVFZSA-N 394.523 1.876 0 50 GDAA Cc1cc(C)c(C)c(C(=O)N2CC(O)(CNC(=O)c3ccc4n[nH]cc4n3)C2)c1 2325879290 PNXAAVPICFQANQ-UHFFFAOYSA-N 393.447 1.500 0 50 GDAA CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325897722 FWIPJUOUMAJMAS-XJKSGUPXSA-N 397.431 1.493 0 50 GDAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 785583 NECRMEMSKIPJCT-UHFFFAOYSA-N 386.445 1.393 0 50 GDAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 2356157546 KVOGQWAJTKKXSA-DNVCBOLYSA-N 389.839 1.285 0 50 GDAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(S(N)(=O)=O)ccc1O 4811952 OYDWSIMPQQBAMR-OAHLLOKOSA-N 380.378 1.338 0 50 GDAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCCOC)C2 20449103 ULJQVBDXPJADJV-OAHLLOKOSA-N 380.558 1.966 0 50 GDAA CN1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1c1ncc[nH]1 328621862 IAJMVKWCPRJWAI-GFCCVEGCSA-N 385.287 1.850 0 50 GDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)CC1 106229938 BJWLVHCIISQFOO-RLFYNMQTSA-N 377.510 1.541 0 50 GDAA COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 20779717 SEYZNEJEZWJXPN-GOSISDBHSA-N 399.495 1.183 0 50 GDAA O=C([C@@H]1CCCN(C2CCN(Cc3ccc(O)cc3)CC2)C1)N1CCOCC1 67878410 RFKXEZSYPAURLJ-LJQANCHMSA-N 387.524 1.927 0 50 GDAA C[C@H](c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1)N(C)Cc1ccccc1 328622969 BQRAFAZSUOTGIZ-UKRRQHHQSA-N 380.470 1.596 0 50 GDAA COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 67629534 XNGRHGBRTYWTCX-CQSZACIVSA-N 399.513 1.097 0 50 GDAA O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(N2CCNC2=O)CC1 142031724 OQLJPDWCWLVDJY-SFHVURJKSA-N 384.480 1.236 0 50 GDAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC[C@H](Cn2ccnn2)C1 126594997 UCRGIRGWKDKEHD-KRWDZBQOSA-N 394.479 1.934 0 50 GDAA CN1CC2(CCNCC2)C[C@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 72428307 ONERTXFGUZOECI-INIZCTEOSA-N 377.920 1.458 0 50 GDAA CCc1cc(C(=O)N2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77355037 QDAHHONVKQWDSZ-LSDHHAIUSA-N 392.506 1.229 0 50 GDAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@](CO)(c2ccccc2)C1 374618205 KQBKDWAOEKWTPH-KRWDZBQOSA-N 385.436 1.863 0 50 GDAA CC1(C)CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)[C@@H]1C1CC1 377895028 MNFWCAIZUHCZRV-MRXNPFEDSA-N 391.493 1.812 0 50 GDAA CCOCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82091178 ZVINPALOPZYRIY-GOSISDBHSA-N 388.512 1.437 0 50 GDAA COc1ccc(Cl)cc1CN(C)C(=O)NCCN1CCC[C@@H](C(N)=O)C1 426537405 DJFYUBOIVLENIN-CYBMUJFWSA-N 382.892 1.687 0 50 GDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91907067 MTFDIPRIKJIKMF-NRFANRHFSA-N 394.479 1.586 0 50 GDAA Cc1cc(N2CCC(N[C@H](C)c3nnn[nH]3)CC2)nc(-c2ccccc2O)n1 95517142 XRJAMGYETUUJIU-CYBMUJFWSA-N 380.456 1.990 0 50 GDAA CNC(=O)c1ccc(Cl)c(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)c1 96160049 YYKRNMBIXFZEQG-LBPRGKRZSA-N 381.864 1.018 0 50 GDAA O=C(c1cc(F)ccc1F)N1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96137500 GCFSNYFQNDZPCL-CWTRNNRKSA-N 380.391 1.602 0 50 GDAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4ncccc4O)C3)CCC2=O)cn1 91965873 QFQQPYHSDVDPRZ-NRFANRHFSA-N 395.463 1.931 0 50 GDAA COc1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc(N)n1 91625011 SKQBDSZWHSPBIJ-FQEVSTJZSA-N 382.468 1.872 0 50 GDAA Nc1nc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c2nc[nH]c2n1 95504056 SFCXXOKYKZZCBS-ZDUSSCGKSA-N 375.440 1.959 0 50 GDAA CN(C)c1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1 91745248 LXKAPHXNFAORQQ-RTBURBONSA-N 375.513 1.084 0 50 GDAA CC(C)Nc1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cn1 95367878 UITASNFCCVJSOA-UXHICEINSA-N 390.576 1.507 0 50 GDAA CN(C)C(=O)N1CCN(CCCOCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95509151 YBCKDLWZIYJZGU-ZWKOTPCHSA-N 395.525 1.058 0 50 GDAA CN1CCC[C@H](CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96165421 MCZHOOKNNNMKJT-CQSZACIVSA-N 377.489 1.429 0 50 GDAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91893800 JUQRBFOVSZULCB-IBGZPJMESA-N 395.507 1.711 0 50 GDAA CCn1nccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 91254252 BLMXWANNNBJHHR-FQEVSTJZSA-N 384.484 1.714 0 50 GDAA CCc1nc(CCNC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)no1 264281040 QROOUHCZHNIVLS-UHFFFAOYSA-N 387.440 1.351 0 50 GDAA O=c1[nH]nc(C2CCN(c3ncnc4[nH]cnc34)CC2)n1Cc1ccccc1 67804017 RTKQWBUGVIZEMM-UHFFFAOYSA-N 376.424 1.670 0 50 GDAA CN(C)C(=O)CCc1ccc(NC(=O)NCCCN2CCC[C@H](O)C2)cc1 299774786 IHTLDDJXAWPRBG-SFHVURJKSA-N 376.501 1.676 0 50 GDAA Cc1cc(O)nc(S[C@@H](C)C(=O)NCCc2nc(-c3ccccn3)no2)n1 827647233 JMVWDPQGUSGHHA-NSHDSACASA-N 386.437 1.775 0 50 GDAA O=S(=O)(c1ccc(Cl)s1)N1CCC(N2CCN(CCO)CC2)CC1 952873706 YLVPFYNKEJONCN-UHFFFAOYSA-N 393.962 1.165 0 50 GDAA Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CCc4[nH]ncc4C3)CC2)c1 270298088 OEDUHOMTNXVPEW-QGZVFWFLSA-N 396.491 1.881 0 50 GDAA CN1C(=O)CC[C@@H](c2nc(CN3C(=O)NC(C)(C)C3=O)no2)[C@H]1c1ccccc1 274088894 VTNBCRJPPXRRPM-CZUORRHYSA-N 397.435 1.977 0 50 GDAA CN1CCN(c2cc(NC[C@@H](c3c(F)cccc3F)N(C)C)ncn2)CC1=O 274907647 MMCHFHSYFZUBIF-HNNXBMFYSA-N 390.438 1.748 0 50 GDAA CCn1nccc1N1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)C1=O 189962300 WOTJKARDVSIEAS-OAHLLOKOSA-N 379.424 1.409 0 50 GDAA CN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)CCc2nc3ccccc3[nH]2)C1 1506428888 RIDYFGLYQOFOCC-CQSZACIVSA-N 393.513 1.130 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1cnn3c1NCCC3)CO2 1529120816 MFUYPXBYUZZWLU-AWEZNQCLSA-N 398.467 1.627 0 50 GDAA Cc1nnc2n1C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 1772709051 MRCUXFQGVFACNP-JTQLQIEISA-N 376.360 1.636 0 50 GDAA CN(C)C[C@@]12CN(Cc3nccs3)C[C@H]1CN(C(=O)c1cnsc1)C2 1772815790 XCPAIHDYMAHHIJ-YOEHRIQHSA-N 377.539 1.735 0 50 GDAA CCCCc1ncc(CN2C[C@@H]3CN(C(=O)c4ccc(N)nc4)C[C@@]3(CO)C2)[nH]1 1772815730 USIJSTCYBVYTHP-IIBYNOLFSA-N 398.511 1.296 0 50 GDAA Cc1c(C(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)cnn1-c1ccccn1 1772705218 RGQPPVFPPKHRAB-MRXNPFEDSA-N 383.452 1.287 0 50 GDAA Cc1cc(C(=O)O)nc(N2C[C@@H]3CN(CCc4ccccc4)C[C@@]3(CO)C2)n1 1772804515 ACYKYNGEESVDSJ-UWJYYQICSA-N 382.464 1.456 0 50 GDAA CN(C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C)C1CC(C)(C)NC(C)(C)C1 11874585 GLGQOYVRECINIE-INIZCTEOSA-N 380.577 1.991 0 50 GDAA O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12389813 RHJOYWAFKOZREY-OAHLLOKOSA-N 399.476 1.414 0 50 GDAA CCCN1CCCN(C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)CC1 14964143 JXBWUOCWXZNIPJ-GOSISDBHSA-N 392.544 1.182 0 50 GDAA CCCN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1C 16622232 DXNLPUNENDSSSH-UHFFFAOYSA-N 382.482 1.962 0 50 GDAA COC[C@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1ccnn1C 1857681757 AINRZXZVLOALRF-AWEZNQCLSA-N 390.509 1.751 0 50 GDAA O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O 1857691809 YKQRYNHORQXGAG-XLIONFOSSA-N 391.491 1.281 0 50 GDAA Cn1cc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)ccc1=O 1857698063 VFBYPXBKCXPKGH-ROUUACIJSA-N 381.432 1.027 0 50 GDAA COCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(F)cc3C)[C@H]3CC[C@]2(C1)O3 1857734484 KKLQGABAZXFWQL-XKGFGPFHSA-N 390.455 1.906 0 50 GDAA COc1ccc(-c2nccn2[C@@H]2CS(=O)(=O)C[C@H]2NC(C)=O)c(OC)c1C 1857734982 BAQJTEUNQVLHLI-HUUCEWRRSA-N 393.465 1.350 0 50 GDAA COc1ccnc(N2CCN([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1 115536922 DYIWEWQPVKIQBS-KRWDZBQOSA-N 385.443 1.942 0 50 GDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2cnc(C(C)C)[nH]2)C1=O 328611487 LUMVSPQYAJVZGL-LBPRGKRZSA-N 380.474 1.223 0 50 GDAA CCCCn1c(=O)c2c(nc3n(CC(=O)OCC)c(C)c(C)n23)n(C)c1=O 8725146 LWXAPILTOPNTNJ-UHFFFAOYSA-N 375.429 1.129 0 50 GDAA CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCCN13 12300028 BWJXFJZAOBHYRO-WJPUGNRLSA-N 395.463 1.919 0 50 GDAA CCN(C)C(=O)[C@H]1CSCN1C(=O)c1sc(-c2ncccn2)nc1C 263895688 PCVGRNFYRGHMAU-LLVKDONJSA-N 377.495 1.902 0 50 GDAA C[C@H](NC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)C1(S(C)(=O)=O)CC1 497386635 KTASGZMPFNKOGH-NSHDSACASA-N 398.460 1.833 0 50 GDAA C=CC(=O)N1CCC(C(=O)N[C@H](C)CS(C)(=O)=O)(c2ccccc2)CC1 847496433 OFFNMZPFUGURIW-OAHLLOKOSA-N 378.494 1.282 0 50 GDAA COc1ccc(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(C)n2)cc1OC 1857797695 AIBIJXPOPHOUNR-OAHLLOKOSA-N 383.404 1.609 0 50 GDAA COc1cc(C)cc(CCn2nnnc2N2CCC[C@H]([C@H]3CNC(=O)C3)C2)c1 2325764950 AQVKENDVMQGSLN-DLBZAZTESA-N 384.484 1.585 0 50 GDAA O=C1NCc2ccc(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)cc2N1 2325776864 FYWDWPLLOPCYQR-NSHDSACASA-N 388.815 1.479 0 50 GDAA O=C(C[C@@H]1CN(C(=O)[C@H]2CC23CC3)C2(CCC2)CO1)NCC1(n2nccn2)CC1 2325785358 RSDUFCXVZLWBBO-HZPDHXFCSA-N 399.495 1.224 0 50 GDAA O=C(Cn1ccc(Br)cc1=O)NCc1ncoc1C(F)(F)F 2325802143 LFDBHBWUYKHBMA-UHFFFAOYSA-N 380.120 1.934 0 50 GDAA O=C1NCCCN(C2CC2)C(=O)[C@@]2(CC=CCc3ccccc31)CNCCO2 2325893996 ICELDKYYZUCLLM-JOCHJYFZSA-N 383.492 1.659 0 50 GDAA O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H]2[C@@H]1CCN2c1cnccn1 2356148851 WMTUMNNUHNISOH-IRXDYDNUSA-N 376.420 1.066 0 50 GDAA O=C(CCn1ccccc1=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356153540 LEDNWHADANURND-QFIPXVFZSA-N 394.475 1.817 0 50 GDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl 6703328 PDJSSRGQBGUTHW-UHFFFAOYSA-N 376.862 1.218 0 50 GDAA O=C(c1c[nH]c2ncnn2c1=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 101954032 BJTMSNWZGGHDQA-LBPRGKRZSA-N 377.408 1.389 0 50 GDAA NC(=O)CCn1cc(CN2CCC(O)(Cn3ccnc3)CC2)c2ccccc21 55252812 ZXWWALSQXQGZAD-UHFFFAOYSA-N 381.480 1.740 0 50 GDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100480312 HZWPOLHNDNVIIT-DNGPBAJDSA-N 380.444 1.381 0 50 GDAA COc1cccc(OCc2nc(C(=O)N3CCC4(CC3)CNC(=O)O4)co2)c1 67894589 HGEYLWKUBDIJSU-UHFFFAOYSA-N 387.392 1.977 0 50 GDAA Cc1ccc(F)c(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)c1 67643567 VZDJKAJINBLKTO-RBUKOAKNSA-N 377.460 1.861 0 50 GDAA Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 328932960 IIWZBRFIZYGMAY-GFCCVEGCSA-N 398.423 1.224 0 50 GDAA O=C1N[C@H](c2ccc(O)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620735 FVIONIWGOONASI-IOASZLSFSA-N 381.310 1.891 0 50 GDAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 126834979 AVXSFANPHSSXDD-AEFFLSMTSA-N 386.496 1.986 0 50 GDAA O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2CCC(N3CCCNC3=O)CC2)C1 333346069 URRNUDRANMPTJZ-QGZVFWFLSA-N 399.495 1.340 0 50 GDAA Cn1nnc2cc(C(=O)N3CCOC[C@H]3CC(=O)Nc3ccccc3)cnc21 72463720 NLPIOZFQJKLYHE-OAHLLOKOSA-N 380.408 1.233 0 50 GDAA CN(C)c1cncc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71721685 DBVXCSNSHAVFBO-UHFFFAOYSA-N 379.468 1.860 0 50 GDAA CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3cnc4c(NC5CCCCC5)ncnc43)[C@@H]2O1 71769216 AMNWSYQEVLXYTM-AZAGILFBSA-N 389.456 1.981 0 50 GDAA Cc1cc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2[nH]c(C)c(C)c2c1 71745926 HNGVYOJPUZVAJB-INIZCTEOSA-N 377.510 1.828 0 50 GDAA COc1nc(N2CCCCCC2)nc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 366827015 UIBJQTCCLPUYLS-ARFHVFGLSA-N 377.489 1.627 0 50 GDAA O=C1CCCCN1[C@@H]1CCCN(CCN2CCC[C@@H](N3CCCCC3=O)C2)C1 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O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N(CCO)CCO 42437810 SIROGJYAUPYBSA-FQEVSTJZSA-N 388.439 1.575 0 50 GDAA O=C(NC[C@H]1CCOC1)c1cccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c1 299786765 QKNCDXJJTSJXLA-OAHLLOKOSA-N 383.448 1.920 0 50 GDAA CCCn1cnnc1CNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 823031338 SVSMVFVONVNAQH-UHFFFAOYSA-N 385.468 1.865 0 50 GDAA Cc1cccc([C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)N(C)C)c1 823649007 QKZROXCCVOVQDH-GOSISDBHSA-N 375.494 1.604 0 50 GDAA C[C@]1(CCCO)CCCN1Cc1ccccc1S(=O)(=O)N1CCOCC1 952846311 ZFCGHXCJXGZDQJ-LJQANCHMSA-N 382.526 1.835 0 50 GDAA COC[C@H](C)OC[C@H](O)CN1CCC(c2nccc(N3CCCC3)n2)CC1 952893827 WTXDKHZJEILGCT-FUHWJXTLSA-N 378.517 1.669 0 50 GDAA CN(C(=O)[C@@H]1CC[C@H]2NC(=O)C(C)(C)[C@H]2C1)c1ccc(N2CCOCC2)nc1 1875295503 ZVAKHNPYIMTUQA-HYVNUMGLSA-N 386.496 1.822 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCCc4c[nH]nc43)C2)c1C 1875397622 HQWOYNFNMWOOKU-HZPDHXFCSA-N 383.500 1.764 0 50 GDAA Cc1cnc2c(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)cnn2c1 952980263 GENHMXSQYSZHGG-UHFFFAOYSA-N 395.419 1.528 0 50 GDAA Nc1nc2c(c(C(=O)N3CCN(c4ncnc5ccccc45)CC3)n1)CCCC2 952976084 PWXSXTNDEXCIJD-UHFFFAOYSA-N 389.463 1.843 0 50 GDAA O=C(Cc1nnc(O)c2ccccc12)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1436986590 GKKROOUEDBNSRX-GFCCVEGCSA-N 399.428 1.229 0 50 GDAA Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c(O)n1 1565509389 LCWBTQZIMILXPH-ZBFHGGJFSA-N 387.509 1.921 0 50 GDAA Cc1nc(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)cs1 1565509314 HDZGOQUGOUZDTD-HOTGVXAUSA-N 375.450 1.446 0 50 GDAA CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 170597813 ZKXDRSRKKHJFAS-DZGCQCFKSA-N 381.498 1.515 0 50 GDAA COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCN(c2ccc(Cl)cn2)CC1 170611919 NOVGTYATAXBVJF-CQSZACIVSA-N 398.891 1.923 0 50 GDAA Cc1ccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1F 1506403400 AWBRXISJUDKHLP-KRWDZBQOSA-N 399.488 1.608 0 50 GDAA O=C(CCc1ccccc1O)N1C[C@H]2CN(CCCn3cccn3)C[C@@]2(CO)C1 1772819311 IKASZJINUKVMLT-KNQAVFIVSA-N 398.507 1.364 0 50 GDAA Cc1cc(C)n(CC(=O)N2CCCN(C(=O)CCc3c(C)noc3C)CC2)n1 1772705260 RNNQJGGDQDXPGN-UHFFFAOYSA-N 387.484 1.798 0 50 GDAA CCOC(=O)[C@]1(NC(=S)N2CCOCC2)Sc2cc(C)ccc2NC1=O 5473538 DSASILPRHQPKIS-QGZVFWFLSA-N 395.506 1.505 0 50 GDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1 12304764 CUDAINRRURJUPS-UHFFFAOYSA-N 396.373 1.422 0 50 GDAA O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(F)c4)c3)CN12 14746948 YZBMIJSVKJTEPO-JQHSSLGASA-N 383.427 1.075 0 50 GDAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14747741 XXCSJJCWDGKYES-QGTPRVQTSA-N 378.432 1.935 0 50 GDAA O=C(N[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1)c1csc(-c2ncccn2)n1 1857667967 QGFXFJGROAJIDW-MNOVXSKESA-N 393.494 1.333 0 50 GDAA COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-n4cnnn4)n[nH]3)C2)c1 1857672839 IIWWIIKJGXDBCE-ZDUSSCGKSA-N 383.412 1.325 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)CC34CCNCC4)CC2)cc1 1857685383 UJGBTNILIIDJLR-LJQANCHMSA-N 391.537 1.608 0 50 GDAA O=C(NCc1cn2ccncc2n1)[C@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857688328 DGIBVUABVAZUNB-LAUBAEHRSA-N 398.511 1.111 0 50 GDAA O=C(c1cccc(O)n1)N1CC[C@@]2(C1)Cn1c(nnc1C1CCOCC1)CO2 1857703774 RJOGFVWJZSZCFL-LJQANCHMSA-N 385.424 1.088 0 50 GDAA O=C(c1ccc2ncnn2c1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857708167 IPJVTVINWSQLJH-HXUWFJFHSA-N 377.404 1.619 0 50 GDAA Oc1nc(N2CCOCC2)nc2c1CC[C@]21CCCN(Cc2ccncc2)C1 1857712722 NVHVPKHBGHYQOJ-NRFANRHFSA-N 381.480 1.894 0 50 GDAA Cc1nnc(N2C[C@@H](C(=O)N3CCOc4ccc(CO)cc4C3)CC2=O)s1 1857738326 CCECALVPVYFAOU-AWEZNQCLSA-N 388.449 1.113 0 50 GDAA CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4cn[nH]c4c3)CC2)c1 127617124 JAMQOKRSLTVFJW-UHFFFAOYSA-N 398.488 1.924 0 50 GDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc3ccccc3c1)C2 247914084 ATEJWSPUOALTID-PBHICJAKSA-N 388.493 1.578 0 50 GDAA Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)o1 1857799866 JWJSJZYNABGAMI-UHFFFAOYSA-N 392.437 1.121 0 50 GDAA COC(=O)Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(C)cc2)cc1F 2325842353 VQIBWWLALKXKII-UHFFFAOYSA-N 379.409 1.897 0 50 GDAA Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)OCCC(C)C)nnn1C 1490583313 RVGZMFLWGRRBEZ-FZKCQIBNSA-N 377.489 1.436 0 50 GDAA COc1cccnc1C(=O)N[C@@H]1CC2(CN(Cc3ncc(C)o3)C2)n2ccnc21 2332237973 SIOOGOMWHRNSSA-CQSZACIVSA-N 394.435 1.669 0 50 GDAA Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)C3Cc4ccccc4C3)C2)on1 2356154762 ISQVJWOTPJVWTI-QXAKKESOSA-N 383.448 1.270 0 50 GDAA CN1C[C@]2(CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C2)OC1=O 2356156524 GCANFBPFZVQKJK-SFHVURJKSA-N 391.493 1.566 0 50 GDAA CN1CCN(C(=O)c2ccnc(N3CCC[C@]4(CCc5c[nH]nc54)C3)c2)CC1 2356156720 NRKZJEGWHZBWNU-NRFANRHFSA-N 380.496 1.677 0 50 GDAA Cc1nn(C(=O)c2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 4375829 UDOQQROQIQIZHH-UHFFFAOYSA-N 383.857 1.863 0 50 GDAA CCOc1cc(CN[C@H](CC)CO)c(Br)cc1OCC(N)=O 6702253 QCNFTRQFNHKZIL-LLVKDONJSA-N 375.263 1.572 0 50 GDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1 9143501 KSOJLNGUYGNWJJ-UHFFFAOYSA-N 391.405 1.382 0 50 GDAA O=C(c1ccc(O)nn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 67894928 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O=C(N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1)C1(CO)CNC1 2100557635 XJOFQPZVMXKNNE-NRFANRHFSA-N 395.503 1.533 0 50 GDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 980103 OYIOCGPIKHIYRT-CLWJZODNSA-N 378.421 1.861 0 50 GDAA C[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)N1Cc2ccccc2C1 2325776253 HCUWDFKPJXCVNZ-YOEHRIQHSA-N 378.494 1.938 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCCn2cc(C(N)=O)nn2)c2ccccc12 2325870637 IISOIEGILHVXQQ-UHFFFAOYSA-N 387.465 1.597 0 50 GDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F)C(C)C 11766012 QLTGXONKEQRVTA-GOSISDBHSA-N 395.475 1.408 0 50 GDAA O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 12448469 IXBHXYRSCHNREC-IBGZPJMESA-N 386.496 1.585 0 50 GDAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 16347143 BHUWPQHHIOMKGT-OAHLLOKOSA-N 399.944 1.969 0 50 GDAA COc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)N2)cc1 18227678 GBTSWMMDHHZRMZ-OAHLLOKOSA-N 396.403 1.762 0 50 GDAA CCOC(=O)N1CCC(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 19853867 IVRDAZLJPGZNBT-UHFFFAOYSA-N 395.525 1.755 0 50 GDAA COCc1cc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)ccc1OC 20149487 HIBORTYTJITDMT-NRFANRHFSA-N 391.556 1.804 0 50 GDAA CO[C@H](CNC(=O)Cn1nnnc1CN1CCC(C)CC1)c1cccs1 23340097 KSMCPVBCBYABOT-CQSZACIVSA-N 378.502 1.470 0 50 GDAA CCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 50077595 XMBCWRVXERFSTI-UHFFFAOYSA-N 375.429 1.619 0 50 GDAA O=C(CN1CCCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1ccc(F)cc1 65469571 BCRTZLQSYSBEOB-SFHVURJKSA-N 377.460 1.198 0 50 GDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67514865 SUPVHOGKPPMELP-KRWDZBQOSA-N 376.420 1.456 0 50 GDAA O=C1CCCN1CCCNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71751173 ZRFWQJXHCLMQKW-UHFFFAOYSA-N 380.452 1.495 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1cccn3cnnc13)CO2 71754274 CPHFQTSLNPSGFM-AWEZNQCLSA-N 394.435 1.657 0 50 GDAA O=C1C[C@@]2(CCN(C3CCN(c4ncc5ccc(F)cc5n4)CC3)C2)C(=O)N1 82147655 LEDOCHIIYOCNIJ-HXUWFJFHSA-N 383.427 1.476 0 50 GDAA COCCc1noc([C@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)n1 91475158 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CCCCn1ccnc1C1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 95530651 CVDBPRUVGLOKMP-UHFFFAOYSA-N 385.472 1.341 0 50 GDAA CSc1ncc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1 96148624 OMVVNCOTCCMATL-UHFFFAOYSA-N 385.501 1.346 0 50 GDAA CSCCc1nc(C2CCN(C(=O)c3ccccn3)CC2)n(CCO)n1 96149884 OARNJLMHCRUOCZ-UHFFFAOYSA-N 375.498 1.591 0 50 GDAA Cn1cc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)ccc1=O 126539560 BVSZADAIJPNOAY-UHFFFAOYSA-N 380.448 1.925 0 50 GDAA C[C@]1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC(=O)N=C2C=CC=CN21 170575203 ZLBFJZROHLGPLB-HRAATJIYSA-N 392.415 1.753 0 50 GDAA CN1CCN(Cc2ccc(C(=O)N[C@H]3COc4ccccc4C3=O)cc2)CC1 181599712 CFNQSEHVBURGHF-IBGZPJMESA-N 379.460 1.808 0 50 GDAA CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 186127061 MPOLIAWVZAMYJE-QGZVFWFLSA-N 379.526 1.470 0 50 GDAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 219234757 AIEUBEURKWWVEI-QXCFHYIPSA-N 386.473 1.505 0 50 GDAA CCNC(=O)C1(CNC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)CCC1 225416746 HDDPTBXPKOHYTH-UHFFFAOYSA-N 387.484 1.234 0 50 GDAA NC[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 238059109 GZKYQJHCQDZJKF-SECBINFHSA-N 377.260 1.332 0 50 GDAA C[C@H](C(=O)OCc1cc(=O)n2ccsc2n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 241277661 LIAUTYYFKDDFJW-RAIGVLPGSA-N 389.433 1.363 0 50 GDAA O=C(NCc1nc(-c2ccccc2)cs1)c1cc2n(n1)C[C@H](O)CNC2=O 252504182 VHYUXIJKIFEKJM-GFCCVEGCSA-N 383.433 1.041 0 50 GDAA COc1ccc(S(=O)(=O)N2CCC(N3C[C@@H]4CC[C@@H](N)[C@H]4C3)CC2)cc1 253369887 JKXBXHSPRKPFRZ-ZOCIIQOWSA-N 379.526 1.517 0 50 GDAA COc1ccc(CCN2C[C@H](C(=O)N[C@@H]3CCN[C@H](C)C3)CC2=O)cc1OC 262796005 DQBYQZGJASGXQB-DJIMGWMZSA-N 389.496 1.352 0 50 GDAA O=C(Cn1nc2nc(N3CCCC3)ccn2c1=O)Nc1ccc(F)cc1Cl 263617348 NIROVDQAYUZKSM-UHFFFAOYSA-N 390.806 1.922 0 50 GDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCO2)o1 275313401 OCUJYKCNUPTBED-HNNXBMFYSA-N 395.437 1.556 0 50 GDAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CC(=O)N1CCOCC1)CC2 276461206 NCKNDVQEDILGTC-SFHVURJKSA-N 391.537 1.810 0 50 GDAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)c1C 285965852 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O=C(Cc1ccc(CO)cc1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828823346 LHMPLJVRIFYCLK-SDPJGKNGSA-N 391.515 1.405 0 50 GDAA Cc1c(C(=O)N2CCN(C(=O)[C@H]3NC(=O)O[C@H]3C)CC2)sc2ccccc12 841395909 BHRHJNFAHJEZHX-WFASDCNBSA-N 387.461 1.991 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCNCC3(F)F)CC2)cc1 886043299 KMVZZUIWHFTWFS-OAHLLOKOSA-N 387.452 1.073 0 50 GDAA Cc1nnc2ccc(N3CCCO[C@H](CNC(=O)c4ccc(F)cc4)C3)nn12 888103727 WFBBVFUVLURGBU-MRXNPFEDSA-N 384.415 1.597 0 50 GDAA O=C(CCOCC(F)F)N1CCC(c2nccc(N3CCOCC3)n2)CC1 952895000 WSRABHGMSATPRL-UHFFFAOYSA-N 384.427 1.691 0 50 GDAA COC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(Cc2n[nH]c(C)n2)CC1 952984203 OYAHXYOEIXODFX-HNNXBMFYSA-N 378.477 1.062 0 50 GDAA COc1cccc([C@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)c1 1529187238 QCNCYYYEEJPQHL-HXUWFJFHSA-N 393.447 1.957 0 50 GDAA CCN1C(=O)C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)[C@H]1c1nccn1CC 1775960920 QDLCRPGKMPJGFF-YJBOKZPZSA-N 384.484 1.942 0 50 GDAA C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)c3ccc(Cl)cn3)CC2)CCN1C 1775992626 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O=C(NCCCN1CCOCC1)[C@@H]1CC(c2cccc(Br)c2)=NO1 19871476 YZUUMEGMCREQGZ-INIZCTEOSA-N 396.285 1.781 0 50 GDAA CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1C 20051521 QQIYRLPSISMAJW-LJQANCHMSA-N 386.496 1.722 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nccn2CC)cc1 42460153 FTAHNTIEAQVGIO-SFHVURJKSA-N 399.495 1.309 0 50 GDAA C[C@@H](C1CCN(c2nc(CCN)nc3ccccc23)CC1)N1CCN(C)CC1 65431860 QQCKROGSVAKMHG-KRWDZBQOSA-N 382.556 1.983 0 50 GDAA O=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)NC(=O)N1 67675981 MHUYWVWXEGQDDZ-QGZVFWFLSA-N 381.436 1.305 0 50 GDAA COc1ccc(CC(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 72438055 DEPCRRIYVVWTJK-UHFFFAOYSA-N 397.479 1.213 0 50 GDAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 91536713 ZFSBDLMCXVAXQL-MSOLQXFVSA-N 384.476 1.765 0 50 GDAA COCCCCN1CCN(C(=O)c2cnc(-c3csc(C)n3)nc2O)CC1 91636937 SOLRMUSVYPWERR-UHFFFAOYSA-N 391.497 1.799 0 50 GDAA CN(CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O)S(C)(=O)=O 91915014 SWTSAUDHBJOZKV-SFHVURJKSA-N 382.482 1.478 0 50 GDAA Cc1nn(CCC(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)c(C)c1C 95391715 RQFBHXZIBLEFBO-HXUWFJFHSA-N 375.517 1.354 0 50 GDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H](O)C3)cc2)CC1 95501747 GNCFXRQQJHOYMX-MRXNPFEDSA-N 376.453 1.300 0 50 GDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(-n3cncn3)cc2)C1 95528302 HRSITQKJHSFFJO-ZDUSSCGKSA-N 378.458 1.060 0 50 GDAA CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC(N)CC2)c1F 157637451 XMMYYCBSMHOFIC-UHFFFAOYSA-N 379.251 1.555 0 50 GDAA CSCC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 169712791 LXNBVGNNHRSPEL-PEMDQYIBSA-N 387.505 1.593 0 50 GDAA Cc1cc(C)n(CCCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 170748507 CFLRLMXCXXQYOZ-QGZVFWFLSA-N 377.489 1.170 0 50 GDAA CNC(=O)Cc1nc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)cs1 184733232 TUJDYUHGAWOFMA-KRWDZBQOSA-N 376.457 1.552 0 50 GDAA Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)N/[N+](=c1/[nH]c3ccccc3s1)C2=O 213025761 VRKBGORHURMANH-LBPRGKRZSA-O 383.453 1.832 0 50 GDAA CCC[C@@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 225430977 JZXACBXATPZMOG-CRAIPNDOSA-N 393.509 1.458 0 50 GDAA COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N(C)C2CCNCC2)cn1 237166295 YQGCHIYQVIKNBS-UHFFFAOYSA-N 384.889 1.907 0 50 GDAA O=C(O)[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 262843474 DNVUTVYOWHODOV-JTQLQIEISA-N 381.738 1.868 0 50 GDAA O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CCS(=O)(=O)CC1 264166931 JEEISOIXFYBBME-SQNIBIBYSA-N 390.505 1.717 0 50 GDAA O=C([C@H]1CCCCN1C(=O)c1ccco1)N1CC[C@@H](CN2CCOCC2)C1 266194419 FWHJQUBPWYFLIK-DLBZAZTESA-N 375.469 1.455 0 50 GDAA CN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C[C@@H]1c1nccn1C 276095581 WGHBRJBKVKFDGR-MRXNPFEDSA-N 380.456 1.736 0 50 GDAA O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CC[C@@H](N2CCCC2=O)C1 276900012 NPEWVHCEAGKKOG-NVXWUHKLSA-N 391.493 1.063 0 50 GDAA O=C1NCCCN(C(=O)CN2C(=O)CCc3ccccc32)[C@@H]1Cc1ccccc1 294031141 DRDCTQZBNQVSDN-HXUWFJFHSA-N 391.471 1.926 0 50 GDAA Cc1ccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1S(C)(=O)=O 294946398 XSBITGTZCKCBPV-MRXNPFEDSA-N 378.494 1.775 0 50 GDAA CN(CCNC(=O)Nc1ccccc1CCc1ccccn1)S(C)(=O)=O 299755699 CXTZVQZDLFVYGB-UHFFFAOYSA-N 376.482 1.880 0 50 GDAA NCCCOc1cc(Cl)ccc1C(=O)N1CCN(c2ncccn2)CC1 299794726 NFYNLQROLZEKHD-UHFFFAOYSA-N 375.860 1.820 0 50 GDAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1Cc3ccccc3CN1C(=O)CC(C)C)C2 333493592 VFIWSQOLOAUVFA-SFHVURJKSA-N 381.480 1.928 0 50 GDAA O=C(N[C@H]1CCCc2c1cnn2CCO)c1ccc(=O)n(-c2ccc(F)cc2)n1 370741901 QOFSBGRMPVPPFU-INIZCTEOSA-N 397.410 1.368 0 50 GDAA Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1C(=O)O 375651723 IJSPIWVOIIOGQM-BRWVUGGUSA-N 390.461 1.917 0 50 GDAA COc1ncc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C(N)=O 378331759 JKGDFTPEUUPCCI-UKRRQHHQSA-N 388.428 1.043 0 50 GDAA CN1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@]4(CC=CCC4)C3)n2)CC1 408369272 UVOZGIPEDPJIBR-OAQYLSRUSA-N 385.512 2.437 0 50 GDAA O=C1NC[C@]2(CCCN(C(=O)CCCc3nc(-c4cccnc4)no3)CC2)O1 426606759 PBJAQKTTZLTOGR-LJQANCHMSA-N 385.424 1.945 0 50 GDAA O=C(c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1)N1CCOCC1 882408903 HKJMDLUMEJVOGF-DOTOQJQBSA-N 380.448 1.339 0 50 GDAA CO[C@H](C)c1nnc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)s1 1506408532 ZCHZTMDFVCRGNG-LLVKDONJSA-N 376.438 1.970 0 50 GDAA C[C@@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)c1nncn1C 1704303965 DTULDYTVCRRNBP-CYBMUJFWSA-N 382.424 1.798 0 50 GDAA COc1cc(OC)c(C(=O)CCC(=O)N(CCO)Cc2ncc[nH]2)cc1OC 1704324856 GASITTSKGVQWMM-UHFFFAOYSA-N 391.424 1.420 0 50 GDAA O=S(=O)(N1CCCCC1)N1CCCN(c2noc(-c3ccccc3)n2)CC1 1704327891 UPRCVSPARYXPNL-UHFFFAOYSA-N 391.497 1.979 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1 1704339122 OEBLPAKQKWYMJN-GWCFXTLKSA-N 381.281 1.630 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@]2(CO)C1 1772703362 MTFKQXXJKBLCLB-SIKLNZKXSA-N 392.507 1.532 0 50 GDAA CCOC(=O)N1CCC(N2C[C@@H]3CN(Cc4cccnc4)C[C@]3(CO)C2)CC1 1772816385 LIJSNVFGTDMFJJ-GHTZIAJQSA-N 388.512 1.429 0 50 GDAA COc1ccccc1Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccnn2C)n1 1857680172 CZRMXNJNCYVPHA-HNNXBMFYSA-N 390.451 1.922 0 50 GDAA COc1cc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)c(OC)cc1Cl 1857715344 NSSBWHOZEKCAFZ-WOPDTQHZSA-N 390.889 1.497 0 50 GDAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ncccc3OCCN)CC2)O1 1857731063 JKADFKKZNNGCBV-NVXWUHKLSA-N 391.512 1.980 0 50 GDAA Cc1cc(C)c(S(=O)(=O)N2CCc3c(cnn3C)[C@H]2C(N)=O)c(C)c1F 1875289129 UGKVMBJSCRUIKQ-HNNXBMFYSA-N 380.445 1.258 0 50 GDAA COC(=O)[C@@H](C)C1(NC(=O)[C@@H](N)Cc2ccc(O)c(Br)c2)CC1 1875383452 VGWATAYLKZDOIW-SKDRFNHKSA-N 385.258 1.482 0 50 GDAA COCc1ccccc1/C=C(\C)CN[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1OC 1875397687 KFXNLZYSTSHGJJ-MFJAVSIHSA-N 383.496 1.932 0 50 GDAA NC(=O)C[C@@H]1CN(C(=O)c2cc(Br)cc(-n3cccc3)c2)C[C@H]1O 1875402161 ANIDUPGYDVVHEU-IUODEOHRSA-N 392.253 1.548 0 50 GDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCCn3cccn3)OCC(=O)N2C2CC2)cc1 2100477925 KEEARMHKNCBZST-UXHICEINSA-N 398.463 1.529 0 50 GDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1)C2 2100483131 UCSUSLWEFYQVNJ-MOPGFXCFSA-N 396.447 1.710 0 50 GDAA O=C(Cc1ccccc1O)N[C@H]1C[C@H](C(=O)N2CCC(F)(F)CC2)C[C@@H]1O 2100539692 UMMRJVJEFUZLEA-DZKIICNBSA-N 382.407 1.448 0 50 GDAA CN1CC[C@@H](C(=O)N2CCC(C3CN(C(=O)c4coc5c4COC5)C3)CC2)C1 2325870511 AIAFNXZCQLOYRI-OAHLLOKOSA-N 387.480 1.572 0 50 GDAA COc1ccc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)s1 2325895638 FVXYFUPIKHFLPT-ZDUSSCGKSA-N 399.428 1.770 0 50 GDAA CC(C)Cn1c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 2356134674 XMMYUSVQPAQOIT-CQSZACIVSA-N 378.498 1.750 0 50 GDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCn2nc(C)c(C)c2C)OCC(=O)N1C 2356135567 KLVVXFDYTYVURZ-UXHICEINSA-N 384.480 1.831 0 50 GDAA COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 778634 PDVZVOFQFVHQTQ-UHFFFAOYSA-N 381.381 1.965 0 50 GDAA CO[C@H]1C[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CC[C@@H]1N 2356138334 JPIWUNLDQPCDHB-BZSNNMDCSA-N 383.496 1.396 0 50 GDAA CN1C[C@H]2C[C@@H](N(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@H]2CC1=O 2356140098 UEMQFYMNVBQZAL-ZNMIVQPWSA-N 391.493 1.449 0 50 GDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(OC)c(O)c(OC)c2)C1=O 2356143011 QQWNVKOKMCLHQP-HXUWFJFHSA-N 392.452 1.653 0 50 GDAA CN([C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 2356146305 AFRHOXPTGYWHDC-XQQFMLRXSA-N 399.472 1.941 0 50 GDAA O=C(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356163124 YRFNJDIWXIZKTF-KBPBESRZSA-N 375.343 1.702 0 50 GDAA CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)CCc2n[nH]c3c2CCCC3)[C@@H](O)C1 2356167545 RTHVUFXMTYNFGC-KKXDTOCCSA-N 376.501 1.345 0 50 GDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccs1 6406667 OLPWTMDYBOJIAM-UHFFFAOYSA-N 396.490 1.959 0 50 GDAA Cc1ccc(Cn2c(=O)c3c(nc4n(CCCO)c(C)cn34)n(C)c2=O)cc1 10233346 YODQZDUPIFCFML-UHFFFAOYSA-N 381.436 1.197 0 50 GDAA O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(c2cnccn2)CC1 24742648 HCSXLOOBQNTOGW-UHFFFAOYSA-N 380.496 1.973 0 50 GDAA Cc1cc(C(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)cc(=O)[nH]1 67770882 DVTDYRLOTJHUSG-UHFFFAOYSA-N 377.404 1.788 0 50 GDAA Cn1cc([C@@H]2CN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)CCO2)cn1 333174366 QQZMUEFYXLKJHF-RBUKOAKNSA-N 388.443 1.533 0 50 GDAA CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC3(CC2)CNC(=O)N3C)C1 333530587 XZKBVJTVBDWVJI-MRXNPFEDSA-N 393.532 1.470 0 50 GDAA Cc1noc(C)c1S(=O)(=O)N1CCCN(C[C@H](O)c2ccccc2F)CC1 129973126 GIWHNMJFTBPMCQ-KRWDZBQOSA-N 397.472 1.861 0 50 GDAA COc1cccc(N2C(=O)C[C@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)c1 811035 DOBAPXVPNAPHTP-OAQYLSRUSA-N 393.399 1.790 0 50 GDAA C[C@@H](NC(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)c1nnc2ccccn12 409413555 NTYWDHIGBUDCIA-UKRRQHHQSA-N 392.419 1.417 0 50 GDAA Cc1cc(C)n2nc(C(=O)NC3CCN(CCc4ccncc4)CC3)nc2n1 240934397 JBUUIXMFQIGNHY-UHFFFAOYSA-N 379.468 1.573 0 50 GDAA COc1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 72406893 UOPMAUCGVRDTRT-MSOLQXFVSA-N 378.494 1.337 0 50 GDAA Cn1c(C(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)cc(=O)n(C)c1=O 77524653 RRCXKFDLKUCGQI-CYBMUJFWSA-N 375.400 1.154 0 50 GDAA CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1c(=O)[nH]c2ccccc21 215387739 YEPXCMIBGHUIDN-UHFFFAOYSA-N 377.408 1.558 0 50 GDAA CCCCN1CCN([C@H](C(=O)NCc2noc(C)n2)c2ccccc2)C(=O)C1=O 77408184 SYWSUAACYNFMJT-KRWDZBQOSA-N 399.451 1.206 0 50 GDAA CS(=O)(=O)c1ccc2c(c1)CCN(CC(=O)NOCc1ccccc1)CC2 374820920 DCYVVJPTQAEJNX-UHFFFAOYSA-N 388.489 1.739 0 50 GDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]1)CC2 77356320 AWTYKCCBOBMCRY-ZDUSSCGKSA-N 377.466 1.262 0 50 GDAA N[C@@H]1CCN(C(=O)Cn2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2=O)C1 77386750 RWYKIADNTOVZCP-MRXNPFEDSA-N 397.866 1.914 0 50 GDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cncn3C3CC3)CC2)C1 71404087 PGZSXIWZLGLLLA-KRWDZBQOSA-N 389.544 1.657 0 50 GDAA C[C@@H](NC(=O)COc1ccc2nncn2n1)c1cnn(-c2ccccc2F)c1 220656250 LCPSDWKRFUTQOR-GFCCVEGCSA-N 381.371 1.705 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 95391300 ICDROEKZIYTZPD-QGZVFWFLSA-N 378.436 1.289 0 50 GDAA CCc1cc(C(=O)N2CCC(c3nnc(Cn4cncn4)n3CC)CC2)no1 96162375 RYZNXAQBBNZYIP-UHFFFAOYSA-N 384.444 1.508 0 50 GDAA CN1CCN(c2ncccc2CNC(=O)c2cnn(CCC(F)(F)F)c2)CC1 182395715 OMLIUJKRZZGHOM-UHFFFAOYSA-N 396.417 1.912 0 50 GDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91693533 CEZMHNWTNFZHBJ-IAGOWNOFSA-N 378.517 1.114 0 50 GDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1N1CCCC1)C2 91756440 AFNNLUYWWMDHPW-JKSUJKDBSA-N 377.510 1.783 0 50 GDAA Cc1nn(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c(C)c1C 91269965 LFCPYVACPTZZEA-UXHICEINSA-N 391.560 1.045 0 50 GDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H](C)OC(C)C)CC2 91664688 PHHJLVXIMJTMRM-CYBMUJFWSA-N 375.473 1.453 0 50 GDAA CN1CCC[C@]2(CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)C1=O 91644567 ODFNSUOHKGVPLU-HXUWFJFHSA-N 383.452 1.925 0 50 GDAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)CCc2nc(O)n[nH]2)CC1 1940195480 GHFMFESRVRHYON-UHFFFAOYSA-N 393.875 1.628 0 50 GDAA CN(Cc1ccno1)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55166909 CQGJMVZAJMNOHE-INIZCTEOSA-N 394.834 1.816 0 50 GDAA COc1ccccc1Cn1nccc1NC(=O)N1CCC[C@@](O)(CN(C)C)C1 299786392 JZROUTYCWRNGQT-HXUWFJFHSA-N 387.484 1.860 0 50 GDAA CN1CCc2c(CNC(=O)[C@H]3CCOC(C)(C)C3)c3c(c(O)c2C1=O)OCO3 827763401 YJIVZENHCYJWTC-NSHDSACASA-N 390.436 1.570 0 50 GDAA biogenic CC1=NO[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2ccsc2)CCO3)C1 822324355 HAUICARBXBSGKR-HNNXBMFYSA-N 377.466 1.747 0 50 GDAA N=c1[nH]cc(CNC(=O)c2cc(C(F)(F)F)cnc2N2CCOCC2)s1 1875292521 KQRUQMYAMCMYEP-UHFFFAOYSA-N 387.387 1.736 0 50 GDAA CCn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3ncccc3NC(C)=O)CC1)O2 1875394783 WNTHTMDCBKPPOM-OAHLLOKOSA-N 399.451 1.747 0 50 GDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCCc4n[nH]cc43)C2)c1C 1875397708 LBKUBVBNZHYIQH-GDBMZVCRSA-N 383.500 1.764 0 50 GDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 1875369426 NMEZZMHZKPPTCH-UHFFFAOYSA-N 388.443 1.926 0 50 GDAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@]12CCC[S@](=N)(=O)C2 1875395780 LZELZDFCTYJLMT-DWXRJYCRSA-N 379.482 1.627 0 50 GDAA O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875403125 QLTIEKVMMVFBPH-SZVBFZGTSA-N 382.464 1.508 0 50 GDAA O=C(CCC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12)Nc1nncs1 952979795 FZCIETWDUISCDT-GOSISDBHSA-N 385.449 1.769 0 50 GDAA O=C1C[C@@H](C(=O)N2CCOc3ccc(CO)cc3C2)CN1Cc1ccccn1 952963148 HWQJPBJZQOWMSP-QGZVFWFLSA-N 381.432 1.344 0 50 GDAA CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O[C@H]1CCCS(=O)(=O)C1 1343308413 DXSPAMPEDJYBNL-HOTGVXAUSA-N 382.482 1.631 0 50 GDAA Cn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2n(C)c1=O 55104403 GBVCCCMPCIUWRS-UHFFFAOYSA-N 393.852 1.369 0 50 GDAA O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 186122737 OEZGYZBZVUQSQN-GFCCVEGCSA-N 391.415 1.290 0 50 GDAA Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 281630250 QJLONSSUIGGBIW-MRXNPFEDSA-N 391.493 1.972 0 50 GDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)CCN1CCCC[C@@H]1C 1506411625 RYWCNGBLNDQIGX-AWEZNQCLSA-N 384.498 1.817 0 50 GDAA CO[C@H]1COCC[C@@H]1NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704304206 BDBYLXUMZBGUIP-HOTGVXAUSA-N 387.436 1.712 0 50 GDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 1704315163 OUODBCJMPJWQLW-YOEHRIQHSA-N 379.482 1.123 0 50 GDAA O=S1(=O)C[C@H]2NCCN(c3ccnc(N4CCCCCCCC4)n3)[C@H]2C1 219452607 ZPEUFGBHLMZXMM-CVEARBPZSA-N 379.530 1.212 0 50 GDAA Cc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnc2C)C3)cc1F 1772704196 GSCAUPZHKIKSCL-MOPGFXCFSA-N 386.471 1.998 0 50 GDAA CC(=O)NCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 12091617 IWPLDTNKYLKQEB-SFHVURJKSA-N 392.519 1.564 0 50 GDAA Cn1nccc1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 14974533 OUDUESXMCFCCOS-HNNXBMFYSA-N 384.484 1.615 0 50 GDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccoc3)[C@H]2c2cnn(C)c2)CC1 1857689019 BPEBLXCKORHCGI-OALUTQOASA-N 387.484 1.233 0 50 GDAA CCc1nnc(N2C[C@@H](C(=O)NCCc3nc(C)c(C)s3)CC2=O)s1 1857726585 YHCJZXFTMJAWJH-NSHDSACASA-N 379.511 1.886 0 50 GDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@H]1NC(=O)c1cscn1 1875245692 MFVUSMYISVOWBE-GZBFAFLISA-N 391.497 1.876 0 50 GDAA O=C(Cn1ncn2nccc2c1=O)N1CCCc2c1cccc2C(F)(F)F 425641021 CHQQSLSYWSBAFK-UHFFFAOYSA-N 377.326 1.889 0 50 GDAA O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCCN(C(=O)C2CC2)C1 246464049 CLODGCSKSMHWFV-PWRODBHTSA-N 399.535 1.634 0 50 GDAA C[C@@H]1OCC[C@]12CN(C(=O)NCc1nccn1CC(F)(F)F)C[C@@H](C)O2 363948283 DIEPPMZKWUPNDT-XUJVJEKNSA-N 376.379 1.923 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCc3nc(C(=O)N(C)C)cn3CC2)cc1F 2100480687 PPSAOFAGQRBWLI-UHFFFAOYSA-N 380.445 1.279 0 50 GDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2ccccc2F)cc1OC 2100556540 FHQSPWINQDJIHB-MOPGFXCFSA-N 388.395 1.715 0 50 GDAA Cc1cn2c(n1)CC[C@H](CN(C)C(=O)CCn1c(=O)nc(O)c3ccccc31)C2 2325746886 BOMRHDMYGUUXGT-OAHLLOKOSA-N 395.463 1.718 0 50 GDAA O=C(Cc1csc(-c2ncccn2)n1)N[C@@H]1CCCN2CCSC[C@@H]12 2325763295 RFGNWQYQKJFPDE-KGLIPLIRSA-N 375.523 1.839 0 50 GDAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc(-n3cccc3)cc2)ncn1 2325786156 HXBFMUTXAHRFTJ-IAGOWNOFSA-N 378.436 1.219 0 50 GDAA CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(N)ccc2[nH]1)C1CCCC1 2325851243 TYXJROUNISYHIO-KRWDZBQOSA-N 393.513 1.435 0 50 GDAA CCC1(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)CCCC1 2325878107 DVGMQXNBGHKUHG-ZIAGYGMSSA-N 378.473 1.052 0 50 GDAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1CCCO1 1061987 XYWDSVIDBQBONV-MRXNPFEDSA-N 382.482 1.535 0 50 GDAA CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C)CC1 4257935 SWLRMOYLLOZQCB-UHFFFAOYSA-N 385.428 1.850 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCC1(O)CCCCC1 11878254 GURCUDJACPXOEH-LJQANCHMSA-N 387.524 1.621 0 50 GDAA CCOC(=O)N1CCN(Cc2cc(OC)ccc2OC[C@H](O)CN(C)C)CC1 14977210 HLDZMVFOMHFJNC-QGZVFWFLSA-N 395.500 1.271 0 50 GDAA Cc1nn(C)cc1CN(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15074139 GFTRFXPPOIHVCN-HXUWFJFHSA-N 392.450 1.992 0 50 GDAA Cc1ccc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2c1 19324575 OGVFMFYFCGTOBT-UHFFFAOYSA-N 383.500 1.557 0 50 GDAA NC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20494619 BDOYTMWPASCJLT-UHFFFAOYSA-N 396.447 1.271 0 50 GDAA CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55256025 CXGPUKRHVMKCPF-IBGZPJMESA-N 384.455 1.612 0 50 GDAA CCn1ncc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)c1C 67817274 VXDJCFGTIRCNRS-GOSISDBHSA-N 391.560 1.650 0 50 GDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncnc(C)c3C)CC2)C1 71747770 HQQDMABBXMHQMP-QGZVFWFLSA-N 375.517 1.537 0 50 GDAA COCc1noc(C[C@@H]2CN(c3nc(C(C)C)nc4c3cnn4C)CCO2)n1 72156392 WYIKZVCHJHCGRG-GFCCVEGCSA-N 387.444 1.464 0 50 GDAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@H]1CC2(CCNCC2)CN1 72167548 GLXBEMBMZLNANJ-MRXNPFEDSA-N 375.904 1.949 0 50 GDAA Cn1nnc2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)cnc21 72431968 QUSKHJLQEFKNCO-UHFFFAOYSA-N 379.449 1.935 0 50 GDAA Cc1ccc(S(=O)(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cc1F 91908400 UXSCYFHALHVNPN-SFHVURJKSA-N 383.489 1.451 0 50 GDAA CCN(CCO)C[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)C[C@@H]1CO 92038244 SOJKJRGDESWLKJ-HZPDHXFCSA-N 393.915 1.826 0 50 GDAA Cc1nc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)c2cccnc2n1 95358886 LRQJZGAOQZRDLI-UHFFFAOYSA-N 376.486 1.186 0 50 GDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 95505209 AFLPUYUJJOBSEM-INIZCTEOSA-N 378.436 1.574 0 50 GDAA COc1ccc(CN2CC=C(C)CC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 95526053 QYZBMPLSVMLRQO-HXUWFJFHSA-N 389.540 1.834 0 50 GDAA C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)N1CCCC1=O 95526407 LPWWGOTVAMWBCF-AWEZNQCLSA-N 399.495 1.033 0 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KHHGIUGUAUYDKO-QAETUUGQSA-N 388.464 1.749 0 50 GDAA CSc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 248268076 UGXODPDYLYWDTM-QEJZJMRPSA-N 396.534 1.621 0 50 GDAA Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NS2(=O)=O 253425231 RHJPESMNPGEVIS-UHFFFAOYSA-N 386.838 1.881 0 50 GDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2c(O)nc(C)c(Cl)c2C)C1 253535115 CZVNNTVKPQPBFA-XYPYZODXSA-N 379.848 1.837 0 50 GDAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)C3(N4CCOCC4)CCCCC3)C2)n1 253535425 PPOLACLJEZANRC-OKILXGFUSA-N 375.473 1.162 0 50 GDAA O=C1CN(C[C@@H](O)CO)C[C@H](OCc2ccccc2)CN1C1CCCCC1 257371994 ZJXGIJJWKHLIQW-UXHICEINSA-N 376.497 1.402 0 50 GDAA Cc1[nH]c2c(c1C(=O)N[C@@H]1CCN(Cc3cscn3)C[C@H]1O)C(=O)CCC2 299781857 GCTIDLWWUGGVOK-CZUORRHYSA-N 388.493 1.664 0 50 GDAA O=C1CC[C@@]2(C(=O)O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525775 DIUBNGMLLCMQDJ-HXUWFJFHSA-N 392.346 1.989 0 50 GDAA CN(C)c1cc2c(cc1NC(=O)NCC[C@@H]1CCCOC1)n(C)c(=O)n2C 426612402 JXMJZWZTVQFWAY-ZDUSSCGKSA-N 375.473 1.881 0 50 GDAA 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388.387 1.090 0 50 GDAA C[C@@H](N[C@@H]1CCS(=O)(=O)C2(CC(CO)C2)C1)c1ccc(-n2cncn2)nc1 1875357225 XOHFAPUKFJXELB-GEMJLEDKSA-N 391.497 1.031 0 50 GDAA CCOC1CC(CCNC(=O)C23CC(CNC(C)=O)(C2)OC32CCNCC2)C1 1875392957 AYYRGQRUBHXXGI-UHFFFAOYSA-N 393.528 1.115 0 50 GDAA CN1CC[C@H](N2CCC3(CC2)CO[C@@H](CNC(=O)C2(C)CC(F)(F)C2)C3)C1=O 2325793176 JXSOEHPIWJDOCC-CABCVRRESA-N 399.482 1.640 0 50 GDAA N[C@@H]1CCC2(CC2)C[C@@H]1C(=O)NS(=O)(=O)c1cnn(-c2ccc(F)cc2)c1 2325850902 KSJZGZCMZRUSDK-JKSUJKDBSA-N 392.456 1.724 0 50 GDAA CC1(C)[C@H](CNC(=O)c2cc(F)c3ncccc3c2)C[C@H](C(=O)O)S1(=O)=O 2325875673 ZMSGPHUUQYKJIV-GXTWGEPZSA-N 394.424 1.770 0 50 GDAA O=C1NCCC[C@]12CN(C1CCN(c3ccc(F)c(F)c3)CC1)CC[C@@H]2O 2356156810 SALZDCRLRWIXIF-AZUAARDMSA-N 379.451 1.897 0 50 GDAA CCc1ccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 2871413 UOWJTVJUYIXBDN-UHFFFAOYSA-N 385.449 1.945 0 50 GDAA COCCN1CCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C[C@@H]1C 117286668 MKUAKORITYUZDA-HNNXBMFYSA-N 394.479 1.917 0 50 GDAA CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 28493176 NZMUWVCYTXVQRL-UHFFFAOYSA-N 395.481 1.385 0 50 GDAA Cc1nc(CC(C)C)cc(C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)n1 65425268 SKKBCDMZOKXEJR-UHFFFAOYSA-N 382.468 1.728 0 50 GDAA Cc1cccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 12307585 HIVHYKNAFAAWAK-QGZVFWFLSA-N 388.418 1.675 0 50 GDAA Cn1cc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)cn1 173682719 MQLBGNLPKUSZFT-AWEZNQCLSA-N 387.871 1.775 0 50 GDAA Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CCNC3)c2)s1 215527001 RCVGHZOOHZCGGI-AWEZNQCLSA-N 379.507 1.627 0 50 GDAA CC(C)c1nc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 72434337 YVFXRWCKYMIKAF-CABCVRRESA-N 383.539 1.600 0 50 GDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)Cc1ccc(S(C)(=O)=O)cc1 218817890 MNHVLXWAKLSYTO-UHFFFAOYSA-N 386.433 1.736 0 50 GDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 33853393 JWMBRHXWZASKPP-QOKNQOGYSA-N 376.409 1.751 0 50 GDAA O=C([C@H](O)[C@@H](O)c1nc2ccccc2s1)N1CCC12CCC(CO)CC2 367884892 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CS(=O)(=O)NCC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426420077 XEJHLJRWVWFMQH-LJQANCHMSA-N 399.557 1.347 0 50 GDAA NC(=O)[C@@H]1CCCN(CCCNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)C1 426647943 PHFLTJYMGVSCQZ-CQSZACIVSA-N 384.484 1.259 0 50 GDAA CN1C[C@@H](C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)Oc2ccccc21 97212983 GDELNFFRWQDTMB-FQEVSTJZSA-N 394.475 1.834 0 50 GDAA Cn1cc([C@H](NC(=O)CCS(=O)(=O)c2ccccc2)[C@H]2C[C@@H](O)C2)cn1 244633422 GCQBASWDODEBPE-QIIPPGSGSA-N 377.466 1.212 0 50 GDAA CCCc1cncnc1-c1cccc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)c1 534645364 OQBQWBGQRXJUPS-SFHVURJKSA-N 379.464 1.352 0 50 GDAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1csc(N)n1)C2 299774633 HOINHXXPBJWOJI-UHFFFAOYSA-N 375.502 1.165 0 50 GDAA Cc1nn(CCO)c(C)c1CN1CCC(CNC(=O)Cc2cccnc2)CC1 828776619 ASNZSJXFZSEBSM-UHFFFAOYSA-N 385.512 1.458 0 50 GDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)N2CCCN(C(=O)c3ccco3)CC2)CC1 584896825 RMSPHYPJBRDCMZ-WKILWMFISA-N 390.484 1.690 0 50 GDAA CC(C)Cn1nnc2c1C[C@@H](c1nc(CS(=O)(=O)NC3CC3)no1)CC2 952893186 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382.346 1.100 0 50 GDAA Cc1ncc(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c(=O)[nH]1 72157261 XCTHKIZBKBJCSJ-INIZCTEOSA-N 376.416 1.762 0 50 GDAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 71757113 CNALUVSVXNBKKL-KRWDZBQOSA-N 398.511 1.766 0 50 GDAA COc1ccccc1CC1(O)CCN(C(=O)NCc2nc(N(C)C)no2)CC1 365718797 LZSLEARUUYUZDM-UHFFFAOYSA-N 389.456 1.423 0 50 GDAA C[C@H](O)CN1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C 246681417 ITDKYIUOQWQPNN-FGTMMUONSA-N 392.519 1.250 0 50 GDAA Cn1c(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3c3cccs3)nc2n(C)c1=O 288544207 HTOURZHETWIYIT-CQSZACIVSA-N 384.461 1.917 0 50 GDAA Cc1n[nH]c(C)c1CC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 287232762 JFMSWBWTXHXTPV-HXUWFJFHSA-N 381.524 1.988 0 50 GDAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(Nc2ccccn2)CC1 77322317 FTVXRONJEVBQQE-INIZCTEOSA-N 383.500 1.922 0 50 GDAA COc1cccc(F)c1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 221393506 VOSODXPTPGEQSH-INIZCTEOSA-N 383.445 1.125 0 50 GDAA COCCc1noc([C@@H]2CCCCN2C(=O)NCCCN2CCOCC2)n1 426580926 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O=C1CC2(CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)CC2)CN1 369859915 PFDPCBSZLLRGAB-CQSZACIVSA-N 378.423 1.855 0 50 GDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3cc(F)c(F)cc3F)C[C@@H]12 1704338714 YCXUFSDOHBTJRA-HZPDHXFCSA-N 378.416 1.571 0 50 GDAA CCc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(C(C)(C)CC(C)=O)[C@H]3C2=O)cc1 4721454 JMZOTPWGACIOHV-NVXWUHKLSA-N 399.447 1.709 0 50 GDAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncccn4)CC3)C2=O)cc1 4738646 XONCOGODBGJANF-GOSISDBHSA-N 395.463 1.766 0 50 GDAA CCNC(=O)CN1C(=O)[C@@]2(CCN(C(=O)c3ccncc3F)C2)c2ccccc21 2100482916 GGQXZGCYQZLBGI-OAQYLSRUSA-N 396.422 1.487 0 50 GDAA CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[C@H](C(=O)N(C)CC)C[C@@H]2O)c1C 2100545075 GOBJVDROZVHTKO-KKUMJFAQSA-N 393.484 1.546 0 50 GDAA CCOC(=O)C1=C(CN[C@@H](CO)c2cccc(Cl)c2F)NC(=O)N[C@@H]1C 2325699969 HHGMBWSCXNWLMJ-RNCFNFMXSA-N 385.823 1.621 0 50 GDAA Cc1ccn2cc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)nc2c1 2325785502 BQLSMRHTRAYIKA-IAGOWNOFSA-N 381.484 1.546 0 50 GDAA CO[C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 2325819256 AHXHBUCCDSELEW-DDBAPUKQSA-N 399.534 1.385 0 50 GDAA CO[C@H]1CCn2cc(C(=O)NS(=O)(=O)c3ccc(OC(C)C)cc3)nc2C1 870269137 MSQURIPWPWXXAF-AWEZNQCLSA-N 393.465 1.750 0 50 GDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1Cl 719644 NHRQEERAIWIEGM-CYBMUJFWSA-N 375.812 1.742 0 50 GDAA CCn1c(N2CCC(CN(C)C)(OC)CC2)nc2cc(C(=O)OC)cnc21 2356134292 ILMXNSOJBFHUOP-UHFFFAOYSA-N 375.473 1.785 0 50 GDAA Cc1nc(CN2CCN(Cc3cn(CCC(N)=O)c4ccccc34)CC2)no1 55393257 LYNGEWWORHHFFO-UHFFFAOYSA-N 382.468 1.526 0 50 GDAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(CCCN2C(=O)C(C)(C)N=C2O)c1=O 328650267 VMNFVSHGCWVZKF-OLZOCXBDSA-N 379.461 1.648 0 50 GDAA Cn1cc(CN(Cc2ccc(F)cc2Cl)[C@H]2CCNC2)c(=O)n(C)c1=O 328636884 OHSILFONETYJQP-HNNXBMFYSA-N 380.851 1.241 0 50 GDAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2O)CC1 135839232 XAACQDLLFGKOKX-UHFFFAOYSA-N 395.467 1.310 0 50 GDAA CC[C@H](C)S(=O)(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67688535 NUEFFNFCAAVGQL-AWEZNQCLSA-N 378.498 1.927 0 50 GDAA COc1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 20036738 HDWJNLKUQVPHEQ-UHFFFAOYSA-N 390.461 1.930 0 50 GDAA COc1cc(C)c(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C 333121356 VBURBKHLSFQAND-QGZVFWFLSA-N 387.523 1.901 0 50 GDAA COCCc1noc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1 65463209 KUDYKWACTQDJRL-LBPRGKRZSA-N 383.408 1.727 0 50 GDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(C)(C)O)CC3)ccc21 77287107 AKUSQWKJRCBLSU-UHFFFAOYSA-N 375.469 1.989 0 50 GDAA COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1cccc(F)c1 32534961 ZSDWJKCZQUNXNW-IAGOWNOFSA-N 395.452 1.661 0 50 GDAA COCCOCC(=O)NC1CCC(C(=O)N2CCC[C@@H]3CNCCC[C@@H]32)CC1 366866860 MWQCMIDCESQFNP-CHPDAQJUSA-N 395.544 1.315 0 50 GDAA C[C@H]1NC(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)=NN(c2ccccc2)C1=O 363957388 AMPMIXPQHTXPPR-CJNGLKHVSA-N 382.424 1.339 0 50 GDAA CCN(Cc1noc(C)n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 72152002 DKHLXHVMTOEFKD-MRXNPFEDSA-N 389.431 1.256 0 50 GDAA Cc1cccc(C[C@H](C)NS(=O)(=O)c2cccc(C(=O)NCCF)c2)n1 215797835 BJNBORNPAQPJDV-AWEZNQCLSA-N 379.457 1.999 0 50 GDAA COc1ccc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)c(F)c1F 82120320 MOWMJAVBDNIQMX-UHFFFAOYSA-N 379.411 1.957 0 50 GDAA O=C1NC[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)no3)CC2)O1 426404214 ILZSNYAARGVELF-GOSISDBHSA-N 386.412 1.348 0 50 GDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCC1(O)CCCCC1 19112816 GUVVEWAFBWENAV-QGZVFWFLSA-N 377.460 1.328 0 50 GDAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1Br 222253017 UJLBBEMNLZCRNH-CLROSIBMSA-N 378.222 1.953 0 50 GDAA CN1CCN([C@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@H]2CCCO)CC1 91305727 NJUHZSXVGJCLKI-CTNGQTDRSA-N 399.539 1.273 0 50 GDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2cccc(Cn3cncn3)c2)C1 95506219 GYBZCDYVIISTDD-OAHLLOKOSA-N 377.470 1.615 0 50 GDAA COCCNC(=O)c1cccc(S(=O)(=O)NCCc2cccc(F)c2)c1 95358326 CYUIHSPMVPEOOQ-UHFFFAOYSA-N 380.441 1.723 0 50 GDAA CSc1ccc(CC(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)cc1 96139487 KBNVZKKPRXABHO-LIRRHRJNSA-N 391.493 1.478 0 50 GDAA O=C(c1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1)N1CCCC1 97717230 RGUMVMVCCVWNCE-QGZVFWFLSA-N 377.510 1.781 0 50 GDAA Cc1c(NC[C@H]2CCCN2S(C)(=O)=O)nn2c(C(F)(F)F)nnc2c1C 269872834 NSGIXMSVUOPPNO-SNVBAGLBSA-N 392.407 1.596 0 50 GDAA CCN1C[C@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1=O 95520109 UQWIWXUHVFYRJE-OAHLLOKOSA-N 387.509 1.962 0 50 GDAA COc1ccccc1NC(=O)CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 244874267 WXSQUMHFQZIWLB-FQEVSTJZSA-N 375.469 1.331 0 50 GDAA CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O 245020822 MIUJLSMULFUXEZ-LJGAWZCMSA-N 385.416 1.770 0 50 GDAA Cc1cccc(OCC(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)c1 252527567 CWRXEIAMMAWTNZ-BBWFWOEESA-N 382.464 1.797 0 50 GDAA COC(=O)c1scc(C)c1NC(=O)CN1CCN(c2ncccn2)CC1 1940194632 ADMDXACSVALEMZ-UHFFFAOYSA-N 375.454 1.394 0 50 GDAA O=C1CO[C@H](CNc2ncnc3[nH]cnc23)CN1CC1CCN(CC2CC2)CC1 299785216 JSUXORVKCLMGPV-MRXNPFEDSA-N 399.499 1.114 0 50 GDAA CCc1cccc(C)c1NC(=O)CN1C=C(C(=O)OC)C(C)=NS1(=O)=O 169771862 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C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 192160437 VMHPPYRZFBHYGP-QGZVFWFLSA-N 393.553 1.975 0 50 GDAA CC(=O)NCC1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)CC1 1506406350 JQUNVZIXJSHZOG-UHFFFAOYSA-N 392.836 1.714 0 50 GDAA Cc1cc(CNC(=O)[C@@]23CCCN(C(=O)c4cc[nH]c4C)[C@H]2CN(C)CC3)on1 1800414800 WDSCWJFTRBNWJR-GHTZIAJQSA-N 399.495 1.862 0 50 GDAA Cc1noc(C)c1C(=O)N1C[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@]2(CO)C1 1772812990 SNNRLAWKQBCTNA-XMSQKQJNSA-N 397.475 1.793 0 50 GDAA Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@]3(CN(C)C)C2)n1 1772808479 RLXJSSJGNQAEEK-UTKZUKDTSA-N 397.527 1.276 0 50 GDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccn(C)c2)CC1 11815273 TVUZODQAROAHAP-FQEVSTJZSA-N 377.529 1.934 0 50 GDAA C[C@H]1CC(=O)c2cnc(NC(=O)CSc3nnnn3-c3ccccc3)nc2C1 12653281 ANFGLUGBMDGXSW-LLVKDONJSA-N 395.448 1.948 0 50 GDAA CC(C)CCn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13152765 YFZFLBIXWMOELA-KBPBESRZSA-N 377.489 1.089 0 50 GDAA 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CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 2363459 IOOUXGWCOPDBFA-UHFFFAOYSA-N 399.451 1.220 0 50 GDAA O=C(O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 136115382 HHAXQHYEHUKTFH-HOTGVXAUSA-N 376.428 1.930 0 50 GDAA Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnc4sccc4c3=O)C2=O)cc1 266165623 RETFGZHNSCZHGM-OAHLLOKOSA-N 382.445 1.688 0 50 GDAA Cc1ccc2nc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)cn2c1 2325785940 VLQRSXAPJIFYCW-IAGOWNOFSA-N 381.484 1.546 0 50 GDAA CC(C)[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 4867423 STDRLPUYJVGFOD-JTQLQIEISA-N 383.207 1.679 0 50 GDAA O[C@@H]1CN(C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccn2)CC1 11956938 YIGKLHUZFGXGES-FGZHOGPDSA-N 378.520 1.806 0 50 GDAA COCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)c(C)n23)n(C)c1=O 13540365 RCOCGPWSHJEOPC-UHFFFAOYSA-N 381.436 1.710 0 50 GDAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)CO)CC2 14531773 XVXWRIFWZIKFMC-HNNXBMFYSA-N 375.469 1.695 0 50 GDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)sc1C 55360711 ZLPQPWHSOJWFPI-HNNXBMFYSA-N 392.550 1.871 0 50 GDAA O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1-c1ccccc1 67725875 RKBGRRCYYXBKQS-CQSZACIVSA-N 377.470 1.081 0 50 GDAA CCCNC(=O)C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 72167819 LOOTVQNFRGDDJE-GOSISDBHSA-N 376.476 1.465 0 50 GDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 72169307 BCBJDAPHWHSANC-KRWDZBQOSA-N 387.459 1.773 0 50 GDAA C[C@H](C1CCN(C(=O)c2cn3cc(Cl)cnc3n2)CC1)N1CCOCC1 72408246 NTLMMYRJAZOIGI-CYBMUJFWSA-N 377.876 1.956 0 50 GDAA O=C(C[C@H]1COCCN1C(=O)c1cccs1)NCCSc1cn[nH]n1 72430257 MLDZZMHDRXOXLM-NSHDSACASA-N 381.483 1.006 0 50 GDAA Cc1nn(-c2ccccc2)c(=O)n1CC(=O)N[C@H](C)c1cn2ccsc2n1 77440007 AZWPJNOZLGIEHN-GFCCVEGCSA-N 382.449 1.929 0 50 GDAA O=C(CCc1cc2n(n1)CCN(C(=O)[C@@H]1Cc3ccccc3O1)C2)NC1CC1 91289258 RINMUKCACIOCRL-IBGZPJMESA-N 380.448 1.440 0 50 GDAA CCCn1ncc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)c1C 91526754 BQHZQDYCLADNLF-AEFFLSMTSA-N 392.500 1.629 0 50 GDAA CN1CCCN(C[C@@H]2CN(Cc3cc4ccccc4[nH]c3=O)C[C@@H]2CO)CC1 91768755 UUCVUIONIVUVFV-WOJBJXKFSA-N 384.524 1.206 0 50 GDAA O=C(NCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95502688 QAOPWHGEFRGJCF-CQSZACIVSA-N 395.394 1.936 0 50 GDAA O=C(Cn1cccnc1=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95507528 CDNVGEBLSYWTON-CQSZACIVSA-N 384.465 1.351 0 50 GDAA CCCc1nc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)nn1-c1ccccc1F 173764069 OAKDTLDPZXWJCJ-OAHLLOKOSA-N 387.459 1.952 0 50 GDAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 229425302 DXTGYJOZNNJUJA-ZRBXUZRCSA-N 391.493 1.276 0 50 GDAA C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N(Cc1ccco1)c1ccccc1 240707740 HQHVMPXNYGGBLE-CYBMUJFWSA-N 377.422 1.220 0 50 GDAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2C(=O)O)c(Cl)cc1Cl 247395935 MGFHIQBDBPZGMV-CPZGKSPBSA-N 380.205 1.785 0 50 GDAA Cc1ccc(C)n1CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 253413032 SUNUMXDUDPLZNR-UHFFFAOYSA-N 382.530 1.370 0 50 GDAA O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N1CCn2cncc2C1 291095843 STXXNMWPWJKATN-UHFFFAOYSA-N 388.903 1.884 0 50 GDAA CCN1CCN(S(=O)(=O)c2ccc(OCCOC)cc2)C[C@@H]1c1ncc[nH]1 328628545 NVCPEPCISFBAAU-QGZVFWFLSA-N 394.497 1.502 0 50 GDAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CCCC[C@@H]1CN)C2 332635390 VQNKZUWIZNTXAX-CZUORRHYSA-N 380.514 1.180 0 50 GDAA CNC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C[C@@H]1c1cnn(C)c1 332794093 PIESVHRRJCCIBU-JSXYIOQMSA-N 385.512 1.716 0 50 GDAA CN1C(=O)C[C@H](C(=O)NCc2ccc(OC3CCCC3)nc2)[C@H]1c1ccnn1C 366311738 NAMPXDQFCFIRCF-JXFKEZNVSA-N 397.479 1.972 0 50 GDAA CC1(C)CN(C(=O)NCCc2nnc3n2CCCCC3)C[C@]2(CCOC2)O1 369555221 ABEVYLTZXYTKMN-IBGZPJMESA-N 377.489 1.527 0 50 GDAA CN1CCC[C@@]2(CCN(C(=O)NCc3cccc(NS(C)(=O)=O)c3)C2)C1 457597507 ROVXMISXGFCYDO-GOSISDBHSA-N 380.514 1.685 0 50 GDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccn3)C2)cs1 952970392 CQLGLBWBIIBSJR-CQSZACIVSA-N 395.506 1.873 0 50 GDAA O=C1C[C@@H](C(=O)NCC2CCN(C(=O)CCc3ccccc3Cl)CC2)CN1 952988892 QMKPRNJSSTXDRD-MRXNPFEDSA-N 391.899 1.764 0 50 GDAA CCCNC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1 1471324097 JUYACCVZPUJZDE-VHSXEESVSA-N 392.403 1.607 0 50 GDAA Cc1nc(CCN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)no1 1529185568 NUSLBKZHVRMIPU-CVEARBPZSA-N 378.816 1.289 0 50 GDAA Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3OC(F)F)C[C@@H]2O)no1 1565528790 LASBHNCMPBMOEC-ZFWWWQNUSA-N 381.379 1.950 0 50 GDAA OC[C@H](O)C1CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 1772804720 RQAOJJLGTVSXFZ-FQEVSTJZSA-N 381.948 1.917 0 50 GDAA Cc1ccc(N2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@]3(CN(C)C)C2)nn1 1775982063 GYHJYGIKEWOHQB-KNQAVFIVSA-N 394.523 1.639 0 50 GDAA CCc1nc([C@H]2CN(C(=O)c3ccc(C(=O)N(C)C)cc3)Cc3c[nH]nc32)n[nH]1 1857528770 IOQWEVHASCEXFG-HNNXBMFYSA-N 393.451 1.580 0 50 GDAA COCCn1cncc1CNC(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857668194 RWTKTHLOTXVNHO-HNNXBMFYSA-N 398.467 1.989 0 50 GDAA NC(=O)CN1CCC[C@@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)C1 1857671670 WPMYTUSJLAAYBA-MRXNPFEDSA-N 381.480 1.201 0 50 GDAA Cc1cc(N)n(CC(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)n1 1857683802 NULDGOSHOBDPRL-UHFFFAOYSA-N 390.465 1.624 0 50 GDAA NCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N[C@@H]3C=CCCC3)cc12 1857693235 NTVNWGBAQMNZJY-CQSZACIVSA-N 389.521 1.936 0 50 GDAA COCCn1ncc(-c2nc(-c3nc[nH]n3)nn2[C@@H](C)C2CCOCC2)c1C 1875330806 CLITZEXGCQBYBS-LBPRGKRZSA-N 386.460 1.869 0 50 GDAA Cn1cnc2c1CCN(C(=O)c1ccco1)[C@@]21CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 2325776865 GCIOIVXLCOQGOG-SZFUDVHCSA-N 396.447 1.176 0 50 GDAA FC(F)[C@@H]1CN(c2nc(N3CCN[C@@H](C(F)F)C3)ncc2Cl)CCN1 2325788942 UWLYSMSZYHVFCT-VHSXEESVSA-N 382.793 1.217 0 50 GDAA CC(C)(C)n1nnc(CN2CC[C@@]3(NC(=O)COCC(F)F)CCC[C@H]23)n1 2325794530 FZYWSANLCNHKTA-SJCJKPOMSA-N 386.447 1.323 0 50 GDAA C[C@]1(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCCCO1 2325886866 MGSZSNVKOAGZCO-HRAATJIYSA-N 399.447 1.023 0 50 GDAA NCc1ccc(NC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325895489 BNNNICDVIZMPQP-QGZVFWFLSA-N 392.415 1.159 0 50 GDAA Nc1cccc(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325895813 KOFBTBXRHDLORK-INIZCTEOSA-N 378.388 1.282 0 50 GDAA CCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1 2769186 KIZSPRQDUXDXON-UHFFFAOYSA-N 388.478 1.959 0 50 GDAA COCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 4251057 PIKQDNWUBJZKOE-UHFFFAOYSA-N 385.399 1.292 0 50 GDAA CC(C)CC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1 14883277 KUCQMIRLGKHPKJ-MRXNPFEDSA-N 392.548 1.474 0 50 GDAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccco1 14960595 OPEUNTKAFHSRSZ-HDRQVOTFSA-N 392.463 1.954 0 50 GDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCSCC2)cc1 14978700 DQXRHOPZRRNMHX-QGZVFWFLSA-N 377.510 1.351 0 50 GDAA CCCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC 14979271 OWVIGKJVCIPAJV-KRWDZBQOSA-N 377.485 1.653 0 50 GDAA Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)n1 19773560 VVNSMLYQECQCMX-YOCVDRLZSA-N 381.480 1.580 0 50 GDAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 19798482 OKFJOGBEXBLEHU-UHFFFAOYSA-N 390.534 1.849 0 50 GDAA COc1cc(CN2CCN(CCO)CC2)cc(I)c1O 23281933 HEJYDTSAEFHWHS-UHFFFAOYSA-N 392.237 1.115 0 50 GDAA C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1C(=O)N(C)c1ccccc1 55358823 NYIFPQIAYVMKQF-CYBMUJFWSA-N 375.450 1.839 0 50 GDAA CCN(CCCCO)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71757270 XWVWGGNSZVWGPG-MRXNPFEDSA-N 377.485 1.597 0 50 GDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 72126556 NDSSVENNODXMBU-SFHVURJKSA-N 396.491 1.810 0 50 GDAA CN(C)c1ccc(CN2CCn3nc(CCC(=O)N4CCCC4)cc3C2)cn1 91624534 AJHXAZAOBFSMDX-UHFFFAOYSA-N 382.512 1.915 0 50 GDAA Cn1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)n1 91943861 HOGIXYVDAHABPG-UHFFFAOYSA-N 381.480 1.903 0 50 GDAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95368831 YVBQMNVBJDOWOX-SFHVURJKSA-N 375.432 1.932 0 50 GDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(=O)cc(C)o1)CC2 95505370 XYQIZZKVWQTAOT-UHFFFAOYSA-N 384.436 1.598 0 50 GDAA COc1coc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)cc1=O 96153319 DIZKVDFJSOAIJQ-UHFFFAOYSA-N 384.440 1.401 0 50 GDAA CN(Cc1cccnc1)Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 97492364 JAIVSVBTVVCIPP-UHFFFAOYSA-N 376.464 1.811 0 50 GDAA Cc1nc(NC(=O)[C@@H](C)CS(C)(=O)=O)ccc1I 176105158 ZGGCNTDDLLCTBO-ZETCQYMHSA-N 382.223 1.614 0 50 GDAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)nn1C(C)(C)C 194181288 GVLGSTFKCUJEEY-UHFFFAOYSA-N 391.497 1.488 0 50 GDAA CCC(=O)N1CCN(Cc2cccc(-n3cccn3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 220163830 JABZAHSABJQVMV-MSOLQXFVSA-N 388.493 1.092 0 50 GDAA CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)n1 237085768 VJPXSFNBDVJQFH-UHFFFAOYSA-N 393.451 1.768 0 50 GDAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC(=O)[C@@H]4[C@H]4[C@H]3[C@@H]3[C@@H]([C@@H]5C(=O)CC[C@H]5[C@H]31)[C@]42C(=O)OC 247869470 ZAUBUEUXPABYLK-BTPPDZLBSA-N 384.428 1.261 0 50 GDAA Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1C 252523098 BWQWXZHZGLASQT-DFXHGPDCSA-N 378.494 1.200 0 50 GDAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 262422482 NIBVXJYXBDFFIW-IUODEOHRSA-N 387.429 1.869 0 50 GDAA COc1c2c(c(S(=O)(=O)N3CCC(C)CC3)c3c1C(=O)N(C)CC3)OCO2 263584769 AKDQTWLNXXNLGT-UHFFFAOYSA-N 396.465 1.473 0 50 GDAA biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)cc1C(=O)O 264439921 MDGFOYDWULWQLN-LBPRGKRZSA-N 394.453 1.480 0 50 GDAA CC(C)Cn1cnc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)c1 275230415 DFTRUVPBSAQRPK-MRXNPFEDSA-N 381.458 1.082 0 50 GDAA Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H]3CN)ccc2n1[C@@H]1CCS(=O)(=O)C1 299739388 NVGYXCOKMBFMSX-ARFHVFGLSA-N 390.509 1.562 0 50 GDAA O=C([C@@H]1CCCN1C(=O)C1CCCC1)N1CC(S(=O)(=O)NC2CCCC2)C1 329686953 ARWVLXRVMOSSDC-KRWDZBQOSA-N 397.541 1.240 0 50 GDAA Cc1cccnc1C[C@H](C)NC(=O)N1CCN(c2ccc3nccn3n2)CC1 426358885 DPEICEMMTFAROC-INIZCTEOSA-N 379.468 1.896 0 50 GDAA Cc1nn(CC(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)c(C)c1Cl 426698174 DPJWXLPXBMEPAO-ZDUSSCGKSA-N 379.848 1.841 0 50 GDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1cc(S(N)(=O)=O)cn1C 486783121 PNABOAXFBUWDRO-ZDUSSCGKSA-N 376.482 1.082 0 50 GDAA COc1cccc2c1OCCCN(C(=O)NC[C@H]1CCCN(CCO)C1)C2 534641751 RXLWZZVJQIMEPM-MRXNPFEDSA-N 377.485 1.694 0 50 GDAA COc1cccc(N2CCN(C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2=O)c1 670446509 IBJVEFNPGGFUMN-LJQANCHMSA-N 387.480 1.514 0 50 GDAA Cc1cc2nc(Nc3cnn(CC(=O)N4CCOCC4)c3)c3ccccc3n2n1 742413127 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Cn1ccnc1-c1ccccc1C(=O)N1CCC2(CC1)NCC(C)(C)CNC2=O 1772813658 MNFVCGQENNAWRV-UHFFFAOYSA-N 395.507 1.808 0 50 GDAA O=C1CN(C[C@H]2CCOC2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857704857 ILPFNLDLXOFFTM-CQSZACIVSA-N 395.887 1.307 0 50 GDAA O=C(Cn1c(=O)oc2ccccc21)N1CCOC[C@@H](CN2CCCCCC2)C1 1857713438 JHXKGMMOKMUGDX-KRWDZBQOSA-N 387.480 1.946 0 50 GDAA CCCN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(S(=O)(=O)c2cnn(CC)c2)CCO1 1857722894 RYMFSXXMQABSLX-VQFNDLOPSA-N 382.530 1.700 0 50 GDAA COc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)c1 1857723700 RFBWXDRBGWFLPR-KEYYUXOJSA-N 384.498 1.480 0 50 GDAA CC(C)(C)OC(=O)N1Cc2cc(C(=O)N3CC[C@H](CO)[C@H](O)C3)sc2C1 1875267772 ZDDORESBRWGLPI-DGCLKSJQSA-N 382.482 1.814 0 50 GDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)C1 1875330594 UWLUMODICSSPOC-SECBINFHSA-N 395.407 1.465 0 50 GDAA COc1ccccc1N1CCC(NC[C@H]2C[C@@H](O)CN2c2cc(N)ncn2)CC1 1875397964 VMHIPMBEOYWSEX-IAGOWNOFSA-N 398.511 1.266 0 50 GDAA CN1CCc2ccc(C(=O)NCc3noc(-c4ccc5c(c4)OCO5)n3)nc21 2100482383 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CN(CCC(N)=O)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71748024 FSQJJDLVDFLANM-JOCHJYFZSA-N 379.460 1.867 0 50 GDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cccn3cnnc13)CO2 71754275 CPHFQTSLNPSGFM-CQSZACIVSA-N 394.435 1.657 0 50 GDAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77377860 WGLFKIKGOBEEQP-CQSZACIVSA-N 379.888 1.907 0 50 GDAA O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82087381 PUJCWDAMPJLLHF-SFHVURJKSA-N 378.388 1.578 0 50 GDAA COc1cc2c(cc1-c1cn(CCn3nc(O)ccc3=O)nn1)OCCCO2 91254465 YLWYYVAEAVFSKJ-UHFFFAOYSA-N 385.380 1.078 0 50 GDAA Cc1cnn(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c1 91254773 XKYJSXIPEGHDSO-HXUWFJFHSA-N 384.484 1.389 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c1 91255227 DOVVIZNINQEOAC-UHFFFAOYSA-N 376.453 1.541 0 50 GDAA O=C(CCc1nc2ccccc2[nH]c1=O)N1CCCC[C@@H]1CN1CCOCC1 91724689 PIBDVIQGDCEWBD-MRXNPFEDSA-N 384.480 1.569 0 50 GDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 95355436 XGCGBZJDYXBFFR-DZGCQCFKSA-N 376.420 1.730 0 50 GDAA O=C(CN1CCOCC1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95505432 PXQYBAWIENKKTO-HNNXBMFYSA-N 375.498 1.426 0 50 GDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3cc(OC)ccc3F)C[C@]2(C(=O)O)C1 96166361 UEXOWRLYCLGXOO-GUYCJALGSA-N 386.445 1.002 0 50 GDAA CN(C)C(=O)c1ccc(NC(=O)NCCSc2nnnn2C)cc1Cl 97370459 JVCXDKHUHGKWRN-UHFFFAOYSA-N 383.865 1.479 0 50 GDAA C[C@@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(=O)NCc1ccco1 109324953 YKOUVFCUBZYQDQ-CRAIPNDOSA-N 383.448 1.634 0 50 GDAA CN(C)CCN1CCC(CNC(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 126343312 PJCJAJFEPDXIMI-UHFFFAOYSA-N 376.476 1.714 0 50 GDAA COc1cc(OC)cc(C(=O)N2CCN(Cc3cn4cccnc4n3)CC2)c1 130656231 YYHWWDXBIFGYEI-UHFFFAOYSA-N 381.436 1.705 0 50 GDAA CCS(=O)(=O)NCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 152891710 VLTNPXUSDJFEMD-UHFFFAOYSA-N 378.498 1.399 0 50 GDAA C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1nc(C(F)(F)F)cs1 174969767 LCNUKSXPCBZLEC-UWVGGRQHSA-N 399.460 1.628 0 50 GDAA CS(=O)(=O)c1ccc(-n2nnnc2CN[C@H](CCO)C2CCCCC2)cc1 181503496 LCNCITXVBNYFGE-QGZVFWFLSA-N 393.513 1.487 0 50 GDAA C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 245326409 JVUYADAQSHTWNO-DJOHDXEPSA-N 391.855 1.240 0 50 GDAA COCCN1C(=O)[C@@]2(NC(=O)c3cnn(-c4ccccc4)c3N2)c2ccccc21 253495830 RPABJYQBEKNZMK-NRFANRHFSA-N 389.415 1.874 0 50 GDAA COc1cc(CCC(=O)N2CCOC[C@H]2C(=O)O)ccc1OCC(F)(F)F 268964842 CKZZZPZDWQQRKA-LBPRGKRZSA-N 391.342 1.881 0 50 GDAA CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)C[C@H]1c1nccn1C 276546508 FKHAYMRYRQCSSC-ZDUSSCGKSA-N 386.481 1.980 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)cc(Cl)c2O1 278577722 ACOKAOJVOCEOQB-JDNHERCYSA-N 399.856 1.026 0 50 GDAA CCOc1ccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C(=O)O)cc1 299748964 ISBVEFCWNYIDCR-CVEARBPZSA-N 376.453 1.702 0 50 GDAA C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCO[C@@H](c4cncn4C)C3)ccc2O1 328615982 BGIRHNDXSJYSBX-UVBSCNOISA-N 377.466 1.942 0 50 GDAA O=S(=O)(CC12CCC(CC1)CC2)NCC1(N2CCOCC2)CCOCC1 333092619 BGAAQBQPPDVALE-UHFFFAOYSA-N 386.558 1.758 0 50 GDAA C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(c2nc[nH]n2)CC1 378060454 PDBOULSPQMWGHC-LPHOPBHVSA-N 382.512 1.763 0 50 GDAA COCCN1C(=O)C[C@H](CNCc2csc(C)n2)[C@H]1c1cnn(C)c1C 424191571 QDWTZWTXKNSJHO-KDOFPFPSSA-N 377.514 1.819 0 50 GDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(NC(C)=O)cc1Cl)C2 426489658 PKCPBVFHONBDMH-UHFFFAOYSA-N 389.843 1.787 0 50 GDAA O=C(Cn1cnc2ccsc2c1=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 426550068 QPVBIEHRXKESIY-LBPRGKRZSA-N 386.408 1.519 0 50 GDAA Cc1nc(CNC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc2c1CCCC2 426597185 GPGFKEMIFPUEPC-KRWDZBQOSA-N 383.452 1.265 0 50 GDAA C[C@@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC2(CCOCC2)O1 447973294 BKMGBIIUEXZQBM-CQSZACIVSA-N 397.497 1.538 0 50 GDAA CNS(=O)(=O)Cc1ccc(CNC(=O)[C@]2(O)CCc3ccccc3C2)cc1 785750050 SUCIDOHXJZXUHN-FQEVSTJZSA-N 388.489 1.272 0 50 GDAA C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)Cn1cnc(C(N)=O)n1 827917970 RVCOSWFPSREOBW-KRWDZBQOSA-N 379.823 1.793 0 50 GDAA CC(C)c1noc([C@@H](C)NC(=O)Cc2nc3nc4c(c(=O)n3[nH]2)CCCC4)n1 827999842 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396.871 1.699 0 50 GDAA O=C(CCc1cc(Cl)no1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 91625980 JHKZMRCNLZSOKJ-ZBFHGGJFSA-N 385.892 1.582 0 50 GDAA Cc1cc(C)nc(N2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)n1 91636453 CORYNZIWMLCBKS-UHFFFAOYSA-N 376.486 1.130 0 50 GDAA CN(Cc1nccs1)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 95370777 OZVFWQUFNRHVSK-ZDUSSCGKSA-N 381.479 1.483 0 50 GDAA CC[C@@H](C)NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 95528167 MFICYHUCULNPGX-CQSZACIVSA-N 383.514 1.865 0 50 GDAA C[C@@]1(O)CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1O 96137866 USNNKLQSAXWBDS-WMLDXEAASA-N 387.402 1.661 0 50 GDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 96162995 UVLYZLOWCZONFR-UHFFFAOYSA-N 387.532 1.566 0 50 GDAA Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 134060909 KWCRRHYCSPEXAT-OAHLLOKOSA-N 375.812 1.437 0 50 GDAA CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)c1 146090435 KZOVGFDTAAPGLT-KRWDZBQOSA-N 380.491 1.869 0 50 GDAA O=C(CCn1c(=O)oc2ccccc21)NCc1ccnc(O[C@H]2CCOC2)c1 163039385 JJDYYGOIIDNLRL-HNNXBMFYSA-N 383.404 1.864 0 50 GDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)cc2c(=O)[nH]1 169777014 DPUFZJMMWIVRGQ-UHFFFAOYSA-N 393.447 1.674 0 50 GDAA C[C@@H]1CN(c2ccnc(C(=O)NCC3(N(C)C)CCOCC3)c2)C[C@@H](C)O1 189013699 FNIUBEQIXJLFHZ-HZPDHXFCSA-N 376.501 1.536 0 50 GDAA Cc1nnc(N2CCN(c3ncnc4c(C)csc34)CC2)c(C(N)=O)c1C 192567297 BMAPQCTUMZOSSR-UHFFFAOYSA-N 383.481 1.832 0 50 GDAA C[C@@H](NC(=O)CCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2n1C 223236527 MGEWFSNRUPVCKC-LLVKDONJSA-N 378.392 1.227 0 50 GDAA Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(-n2cnnn2)c1C 225411158 NHWWJAONYQPKLI-CVEARBPZSA-N 390.447 1.700 0 50 GDAA biogenic C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ccc(C(N)=O)cc1 241447020 NQNFWZWBWWZSLR-CRPGXEFLSA-N 391.449 1.110 0 50 GDAA CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 253415576 LKVDURIVLOHWNG-UHFFFAOYSA-N 382.364 1.199 0 50 GDAA O=C(O)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO1 262107224 NRXMRHNYQVYQAJ-QGZVFWFLSA-N 389.429 1.586 0 50 GDAA CC1(C)C[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)Nc2ncnn2-3)C(C)(C)O1 272306943 OIWKBOYHVFOROD-CYBMUJFWSA-N 391.453 1.457 0 50 GDAA Cc1csc(SCC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)n1 299757732 MTFLFYKTNSJKRV-CHWSQXEVSA-N 384.552 1.752 0 50 GDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCN(c3cnccn3)CC2)n1 328638986 PHVZDBMTTQMRRR-LPHOPBHVSA-N 383.500 2.209 0 50 GDAA CN(Cc1ccc2ccccc2n1)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426407731 ZDUNEDQJCAHXED-MRXNPFEDSA-N 379.464 2.569 0 50 GDAA Cc1nc(CN2CC[C@@H](NC(=O)C3(Cn4ccnc4)CC3)[C@H](O)C2)cs1 426489599 IWNHMDKEPBMOIK-HZPDHXFCSA-N 375.498 1.180 0 50 GDAA O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2 426651237 HBAZFSJZLOVBHA-INIZCTEOSA-N 388.445 1.774 0 50 GDAA Cc1nc(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n(C)c1C 426658245 NUDOYOZWVLCHER-QGZVFWFLSA-N 387.532 1.377 0 50 GDAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCCN(C3CCCC3)CC2)n1 426705694 MOAKQZMKELQNKL-MRXNPFEDSA-N 375.517 1.839 0 50 GDAA Cc1ccc(S(=O)(=O)NCCCNc2cc([C@@H]3CCOC3)ncn2)cc1 426706001 YTWKURBQDLEXJK-OAHLLOKOSA-N 376.482 2.069 0 50 GDAA CCC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)c1nccn1C 534649939 MMZGRSOQRLGVBE-ZDUSSCGKSA-N 376.461 1.329 0 50 GDAA CN1C(=O)COc2ccc(NC(=O)NCCCN3CCC[C@H](CO)C3)cc21 534651057 KDDHKNHECOGIRX-AWEZNQCLSA-N 376.457 1.258 0 50 GDAA CC(C)c1nccn1CCCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 670464657 OMCCDPUVBSZCOQ-UHFFFAOYSA-N 378.454 1.820 0 50 GDAA CN(C)CC(=O)Nc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 952981874 OESGOQLDDCNLBV-UHFFFAOYSA-N 379.420 1.535 0 50 GDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 1529105805 ILUCCGVBDARWLT-CYBMUJFWSA-N 396.451 1.500 0 50 GDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnc2ccnn2c1C 1529114682 SLBJHYRSCZZROG-CYBMUJFWSA-N 388.453 1.463 0 50 GDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(OC)c(F)c2)CC[C@H]1O 1704336328 GBPILMRYJPOUPM-ZBFHGGJFSA-N 375.418 1.461 0 50 GDAA Cn1ccnc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(CCc2ccccc2)C1 1772807798 AUYUCMSDUIBQCZ-QUCCMNQESA-N 388.537 1.746 0 50 GDAA CN(CCn1cnc2ccccc21)C(=O)CN1CCN(c2ncccn2)CC1 1857680706 MWAMXHVHPWMVOK-UHFFFAOYSA-N 379.468 1.107 0 50 GDAA O=C(c1cccc(-n2cnnc2)n1)N1CCO[C@@]2(CCN(CC3CCC3)C2)C1 1857681169 AYGITFNBGWMIIH-HXUWFJFHSA-N 382.468 1.379 0 50 GDAA Cc1ncc(CN2CCC3(CC2)CC(=O)N(CC[C@H]2CCOC2)CCO3)cn1 1857690758 RJQCLVHICDCEKT-SFHVURJKSA-N 388.512 1.795 0 50 GDAA Cc1ccc2c(c1)C(=O)NCCN(Cc1cccnc1)CCCC(=O)NCCO2 1857705632 OKQDHKJMZPZCRB-UHFFFAOYSA-N 396.491 1.911 0 50 GDAA CC(=O)NC[C@H]1[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@]23CC[C@H]1O3 1857715899 NHHCXSQTTMSTIJ-BVIKNXMNSA-N 382.457 1.438 0 50 GDAA Cc1cnc(C)c(N2C[C@@H]3[C@H](CNC(=O)c4cscn4)[C@H]4CC[C@]3(C2)O4)n1 1857719746 SRSDBIHXWHTEKO-XWESNNAXSA-N 385.493 1.964 0 50 GDAA C=Cc1ccc(N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)nc1 1875250192 FDPIWUCUKYFPQY-DODZYUBVSA-N 375.494 1.790 0 50 GDAA Cn1nccc1C1=CCN(c2ncnc3c2ncn3CC2(O)CCOCC2)CC1 1875269345 YTHBWXAVKMBQAM-UHFFFAOYSA-N 395.467 1.395 0 50 GDAA Cc1ccc(Cl)c(OC[C@H](O)CNCCO[C@@H]2CCS(=O)(=O)C2)c1 1875282221 RUINNJVYLLFZOG-ZIAGYGMSSA-N 377.890 1.181 0 50 GDAA CCc1cn2c(n1)CC[C@H](C(=O)NC1CN(c3nccn4nc(C)cc34)C1)C2 1875295822 RREXRSUFDCCOFF-AWEZNQCLSA-N 379.468 1.364 0 50 GDAA COC(=O)/C=C/CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc2c[nH]nc2c1 1875311717 KVDYNCSZDRLNIQ-WJCMJQHKSA-N 384.436 1.793 0 50 GDAA CCn1ccc(C(=O)N2CC3(CN(C)C[C@H]3c3ccnc(N4CCCC4)n3)C2)n1 1875395690 JBFRSWAOAGJEOI-INIZCTEOSA-N 395.511 1.465 0 50 GDAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCCc4c3ncn4C)C2)ccn1 2325780255 SYTOCGONAHCQLH-QZTJIDSGSA-N 397.479 1.551 0 50 GDAA CC/C(C)=C/C(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cnc(O)o2)CC1 2325878254 JBNLKPGJYNORRW-TZLBIFBXSA-N 376.457 1.532 0 50 GDAA CCn1cc(C(=O)N[C@@H]2CC3(CN(C(=O)CC4CC4)C3)n3ccnc32)c(C)n1 2332237707 IDPLXUPBFGIZCO-MRXNPFEDSA-N 382.468 1.620 0 50 GDAA